#METABOLOMICS WORKBENCH efahy_20230425_000089 DATATRACK_ID:3986 STUDY_ID:ST002671 ANALYSIS_ID:AN004343 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 Lung Powder ST:STUDY_TITLE - 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_Lung 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SUBJECT_SAMPLE_FACTORS 6D680EA2-C62B-4A35-8B6E-2ED6A79CB017 90421016607 Group:Training | Timepoint:1 week of training or control time | Sex:Male raw_file=90421016607.raw SUBJECT_SAMPLE_FACTORS AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504 90444016607 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=90444016607.raw SUBJECT_SAMPLE_FACTORS 0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6 90426016607 Group:Training | Timepoint:1 week of training or control time | Sex:Male raw_file=90426016607.raw SUBJECT_SAMPLE_FACTORS 1F9BD644-303F-43E7-94BE-FF6654306F5E 90585016607 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90585016607.raw SUBJECT_SAMPLE_FACTORS F65955CE-E49F-48C7-B861-02A2FDF6F9B8 90227016607 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90227016607.raw SUBJECT_SAMPLE_FACTORS 6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0 90441016607 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=90441016607.raw SUBJECT_SAMPLE_FACTORS - QC07 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC07.raw SUBJECT_SAMPLE_FACTORS - QC08 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC08.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Lung02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Lung02.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Lung02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Lung02.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-Blank | 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 Lung #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 ST002671_AN004343_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 90217016607 90218016607 90222016607 90223016607 90225016607 90227016607 90229016607 90232016607 90237016607 90239016607 90245016607 90248016607 90251016607 90252016607 90254016607 90258016607 90259016607 90265016607 90266016607 90267016607 90280016607 90281016607 90283016607 90289016607 90292016607 90406016607 90410016607 90412016607 90416016607 90420016607 90421016607 90422016607 90423016607 90426016607 90430016607 90439016607 90441016607 90444016607 90449016607 90450016607 90559016607 90560016607 90564016607 90567016607 90571016607 90576016607 90578016607 90581016607 90585016607 90587016607 IPE_Reference_Lung IPE_Reference_Lung02 SED_Reference_Lung SED_Reference_Lung02 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 QC09 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 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346453.3418 385948.9721 350606.3872 363167.5474 337609.2622 439578.0833 331002.3766 404709.9766 335660.3623 404016.1589 395505.5724 405106.1191 348374.7665 341763.1453 352521.0238 354743.2956 350688.2946 387160.6193 333758.3444 391582.2486 379238.1573 383434.0971 350264.7218 382476.44 357099.1534 358555.2051 318030.4159 347801.8523 359215.6 378164.2387 369160.4315 373160.6629 374679.9622 376469.1581 366728.4327 378085.4223 370073.803 360284.4643 363683.7993 368192.9928 369058.6639 353500.721 310012.9686 347234.4811 362361.436 303855.0851 363530.1796 360315.9113 357367.8833 376834.2651 326850.0634 335439.2868 292.3586365 453.6518984 396.150336 257.8363186 251.9840319 496.7212704 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_feature1 246828.4497 233308.2589 218725.046 218891.1938 243460.6712 217695.1295 225541.3689 229957.1353 223576.4906 240881.8137 229814.439 210357.2723 217019.645 206070.222 221487.2523 203687.1299 183908.2537 216656.5266 214048.1058 218757.2297 224100.9612 248875.1739 246239.8887 228797.398 242200.6242 224588.8497 206284.1453 221201.9115 223363.3521 217492.3264 213659.7175 236206.5274 239486.4376 220543.5151 217660.8995 223302.1391 214831.0417 227029.5406 231120.6331 207943.6426 205201.4141 219315.1148 199821.3477 220755.961 217977.9464 210992.5523 216607.0181 190601.592 205549.501 214271.9349 225886.3292 239778.4988 209663.1605 208947.8482 212342.1357 188571.5111 215050.5942 194646.6054 217980.2388 186564.1539 210049.2795 207951.4278 201661.8905 299.341462 447.3544001 434.7885421 280.8712123 322.1877896 561.3505462 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_feature1 96893.51022 98838.2181 98554.72543 94272.33927 89572.42903 97332.26748 98693.27254 92006.31461 94820.30301 101874.0156 97379.17567 87422.77125 104155.855 96832.87537 94491.28751 96073.8201 95483.57597 96164.80144 97332.19596 91388.48856 91500.59607 94337.45627 98149.50712 93066.76034 96948.3381 99805.40718 89290.11074 91809.11476 92241.42262 88927.41098 88382.37436 96319.16084 92442.87503 93063.54209 95902.88501 91693.76259 87984.07257 90376.99611 89885.58764 96804.63355 91574.38311 88368.28727 92764.13327 96910.38554 92497.89189 94983.99582 95052.70514 95147.19828 88451.73267 93507.70023 99015.71411 92558.86853 99788.09017 92342.86712 93878.90706 93580.90141 89087.79416 94029.47531 92514.18281 93281.3259 90075.56695 94244.56467 93198.88509 209.2238399 448.39737 426.0276087 199.509689 381.3595162 388.4432613 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_feature1 45679478.45 42344968.17 46827178.37 45659192.33 43736353.07 45284929.27 48041131.79 42633507.13 41507194.35 42645534.32 39667710.86 37662248.83 46131945.44 40015945.25 44118696.46 40616396.83 45092313.81 45166360.13 46103660.8 42750874.61 46499918.13 43938784.68 41330181.32 38120935.24 41503149.94 39705257.05 46654225.63 44094211.28 41566763.88 41692901.78 47357490.62 46501725.65 49638032.52 43021149.74 47749778.78 48155929.99 44889357.67 41721822.85 45763070.84 45774123.65 29234723.57 43012622.46 47650285.56 47040900.28 45590919.49 46340024.64 43138685.45 41659586.33 44502475.61 45743865.41 47540644.62 41323058.43 44821271.69 47554461.85 49188513.59 42927727.6 41962698.65 28483026.57 44810560.1 39500350.4 44935521.05 42979491.67 44655299.39 614.9073997 616.5206776 577.1002738 612.6130217 525.6433308 1143.827397 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7))_feature1 1543549.636 1829376.123 1700856.445 1505784.009 1466346.278 1713496.204 1599676.017 1690349.425 1405602.806 1622952.571 1613961.438 1507054.749 1634557.288 1667547.977 1684663.604 1608969.323 1536994.337 1595452.198 1524685.424 1559413.703 1605614.016 1648904.699 1622310.455 1606048.656 1684122.252 1679465.513 1594699.363 1500234.617 1652211.483 1681159.225 1542489.446 1460224.012 1572248.459 1560950.037 1662909.984 1565666.226 1582583.08 1626669.06 1518763.147 1515633.595 1454942.69 1664114.364 1440178.408 1557402.107 1522682.186 1494661.259 1577381.148 1448496.115 1440176.078 1567971.445 1787139.356 1594506.704 1678224.747 1556131.887 1705028.123 1604240.414 1561480.267 1630407.036 1672346.18 1660076.767 1647995.379 1691374.412 1579516.202 317.193862 2757.059526 3338.40403 302.9152117 2730.62982 3444.303392 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(9z,d7)/0:0)_feature1 184580.3096 193962.4508 165403.8025 180567.5375 181230.3204 179685.4687 155103.3228 181855.8855 161749.7151 167243.1532 169168.9984 167027.9975 173442.8878 186243.1851 169670.6857 168412.1076 153988.1432 167744.4054 157822.0825 189976.4315 164825.1196 164611.2933 169439.8334 169010.1368 169623.5107 181704.0666 166976.2136 166933.6624 163384.7493 186175.915 170599.0582 176746.1063 163893.9415 162561.3042 165366.4359 172692.638 175523.6273 172391.8491 153814.6322 159124.4077 175563.5754 190050.3374 157476.145 170714.741 175996.5584 163704.7296 168689.6034 179374.0602 152184.3287 179272.9323 164437.456 174063.0683 150502.7681 160920.4363 177789.9198 180454.4886 163889.995 160120.7063 166519.5081 177758.0669 168980.1944 180438.4326 171948.7671 146.7500162 178.2848049 159.631196 163.9570738 177.7444425 168.9749075 GTInternalStandard_CE(18:1(9z,d7))_feature1 364674.8339 382110.0579 214799.055 216897.0067 298400.1563 271282.2091 380735.2377 403120.1367 343663.6051 166983.1593 450946.4559 319724.0378 446612.3458 425643.5624 375144.709 482283.5129 302955.3282 240282.0381 400240.3902 483361.3858 357467.2954 334187.5778 222012.4155 271599.5937 483403.5202 312951.281 329622.1755 366544.9117 315763.243 231722.0137 233971.6899 178414.2972 137795.2852 363966.3335 268289.488 131082.3363 315190.0446 416407.5599 350180.8787 432049.4583 423931.1108 313736.289 434282.1553 273486.0454 492319.7208 517859.978 374116.826 396042.8338 477356.8703 450602.9243 321740.1261 465950.0434 316636.684 362719.8921 331077.7965 357970.5165 303759.622 258157.3347 273744.554 292473.7623 340723.0253 297933.0035 365226.9347 675.1724215 725.9545824 708.9111556 816.5650311 900.7617912 934.7885485 GTInternalStandard_cholesterol(d7)_M-H2O_feature1 23085.51938 19565.92645 24544.4207 29094.38976 21522.94006 20830.804 30280.16675 23938.88496 28639.71453 26571.02402 28729.20545 25095.08399 23003.74639 20298.10534 20709.63344 30905.25791 28266.47465 23353.91811 33794.40107 21361.23461 25371.03616 24431.70451 24371.154 25691.99492 26676.14123 20875.05186 28249.48258 26693.0285 23087.98802 18382.6392 25375.12479 22003.05694 35799.43112 29061.79535 31241.25824 32327.18611 22964.58655 25982.70852 33093.51016 27507.39514 25845.08835 17734.71004 42321.16101 27962.99589 30296.13712 26666.76488 31000.35208 22184.49753 39291.73676 19746.37187 25572.99268 27742.4147 30097.5943 30332.29462 22025.54178 31145.22121 20116.51696 27998.56397 24771.07084 27647.45747 29109.85225 23854.27491 22842.0992 72.01623984 67.3146901 67.44174398 62.64641785 57.89997005 58.94948395 ubiquinol Q9_feature1 439763.1775 334847.3166 468943.175 455569.1271 402075.4903 346585.459 172478.3741 327555.5506 246932.265 486514.4179 302174.6164 645654.7889 322031.2417 551685.4199 344776.9996 306231.7983 299101.0471 358845.1837 269730.4076 391766.8623 276507.9248 316175.0148 324682.4101 342955.1056 265082.6188 453208.3482 349393.0639 285238.1982 340152.2948 532346.0288 574113.7568 290759.7071 247127.2252 214866.441 278014.415 797416.3619 283458.8186 302654.0991 280008.437 255267.5597 396086.6231 478635.1552 233050.8042 339195.3377 267949.3008 231627.3425 288323.4987 330092.2414 174713.1191 331774.3793 218221.9348 209638.348 218496.7938 216401.7548 381114.0183 375670.6694 365446.5186 361171.2028 384655.3261 365353.9714 364397.1322 386937.1648 373243.4338 121.5640191 288.3408085 277.3581852 119.480647 213.4811117 341.8076932 Ubiquinol Q10_M+NH3_feature1 48809.3373 31419.63267 34387.55937 43307.9089 38701.87251 32121.93841 15414.16518 30291.19879 22020.46992 40987.78343 27232.3115 41242.09553 30540.01963 55112.50028 29879.12058 25908.15763 22995.77651 24644.08839 19021.7361 38978.92487 21771.72566 34168.17901 34554.57782 38538.89117 26265.82729 44622.43105 24153.99767 25520.64437 29315.64206 40735.44199 41231.48342 35162.24916 23075.15439 20302.89152 24232.44568 50262.38334 27279.0591 29498.4008 24308.68018 23095.56225 30946.08682 46968.78033 17594.75065 39712.16076 23472.22155 18552.39969 21251.00866 29904.61178 13944.37928 32338.90769 19060.00271 18538.66588 20017.74214 20646.46646 29691.69277 28785.48609 28840.84708 26911.46182 28720.21963 29480.60081 29581.97297 28423.23571 28874.25856 155.243687 210.8045147 232.5952203 163.5801553 176.2967345 250.4839847 TG(60:4)_M+NH3_feature2 500132.1321 417269.8497 896362.3777 1493794.674 1235117.014 1343595.613 289509.9716 378722.734 671922.5838 3512479.64 252867.4559 657262.9723 330194.3486 331288.9578 427669.905 252260.3523 887009.7223 870429.2277 214173.6175 315008.2945 483536.8876 497571.0523 1361050.726 790362.2315 470488.649 799608.7646 718794.8541 417980.0806 531381.5465 1233450.912 1313901.458 3126396.741 1918690.856 808333.1101 1491064.661 1534218.639 1122367.165 755524.872 505317.8686 518340.9696 283395.9353 764468.5485 89425.15279 312430.8066 200266.0281 207786.8187 380644.5741 382999.5514 272047.1218 297907.3871 765020.0494 790848.9654 999749.2964 1200795.789 730879.7002 742563.9439 729435.6027 696372.8345 729213.4623 693910.3399 750389.2742 737297.9687 726924.4495 149.9422532 170.5576004 161.4942658 154.5824711 164.0670674 183.5647175 TG(60:3)_M+NH3_feature2 458283.8941 402213.4471 882952.1027 1429968.889 1000621.07 1158424.462 269262.2702 280185.8887 552126.8829 4087299.215 232624.511 523502.8297 291544.6395 347159.9804 375893.182 250658.7738 895492.5678 823293.7505 137836.1478 252706.0211 463045.9943 463698.767 1572250.239 737207.9096 577977.853 807286.7524 646322.4084 409711.4071 438678.2597 1390604.913 1339366.421 2886298.912 1721034.38 822058.6932 1637622.86 1736436.879 1000203.804 650432.499 428655.7888 463376.7901 257949.4024 764557.2425 88364.48124 319303.5247 214650.5352 193173.6715 333298.8526 378170.2349 293010.1015 325909.3692 535811.2599 537767.0221 986824.408 944182.4329 724540.4378 754595.4045 741863.8651 673305.5939 756967.7545 751341.2234 783956.9307 681001.0791 734222.8037 586.9970794 700.8532719 686.0847404 552.1623992 590.2658862 640.7411175 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature4 131410.93 102026.3619 76296.3057 262697.3231 90060.83832 182330.9976 52153.71331 150772.0671 178190.2116 378344.446 89503.67339 192133.8003 44039.18407 151788.504 140819.4392 66724.96559 148382.255 199602.1895 74107.90642 129316.9402 153420.8742 114622.8652 191924.2075 179673.6458 154048.3003 237097.1409 174180.7467 107000.6966 195277.5469 259554.5191 336089.3974 148679.7493 212611.1332 173563.3793 250546.1406 456916.5299 143248.6754 173525.1299 175650.3969 161122.566 132454.94 139285.261 57377.02499 127117.4627 50777.73026 51591.99739 116625.572 154241.3142 97547.98865 106958.7305 63946.38493 147296.2686 90645.7324 166698.2885 159174.3969 148801.4902 127221.6233 85606.89085 111880.7987 131323.9391 128254.9228 159686.8909 147683.145 182.1244013 202.6703008 196.9674793 208.3433351 219.4788377 237.4579199 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 675484.5572 360197.9529 403675.202 872250.1002 615005.878 459207.3311 333037.7689 392568.568 478594.9203 1079651.509 246761.4548 423137.3585 165831.54 352215.8321 428644.5224 177879.7034 211647.8388 494821.4297 195679.187 382157.7928 560259.9335 458104.9841 669558.6023 670283.3512 474798.0491 653127.3251 431587.4733 455611.5243 444471.3722 593465.5036 719837.7195 922856.1635 688369.4258 610650.8345 753807.5931 1219164.649 558835.5793 636410.7601 449319.6888 447052.705 385248.9706 688597.0421 170108.4889 386787.2856 249198.9658 217486.3163 439764.1845 557400.5302 353048.6021 400832.3539 404383.4606 465612.7455 370318.2828 437220.7556 524796.2018 465403.5013 524274.8658 468594.0409 529409.7259 495768.2069 515909.9711 533450.716 465900.2072 292.1946981 325.3898397 401.9262224 339.6770331 521.966566 385.5259964 TG(58:9)_M+NH3_feature3 1635967.238 829800.1873 1697784.441 3331803.806 2126561.479 2699123.763 818914.2831 1241042.42 1900838.565 5536278.166 679514.4473 2407657.096 753746.2808 1335091.755 1238636.336 525121.5331 1778336.475 2659277.098 641666.1956 938201.8695 1505417.368 1445932.836 3240095.931 2489730.667 1519191.127 2369367.178 1925629.831 1328423.812 2048082.478 3234885.087 4477989.535 4300675.125 3721445.901 2148815.219 3257362.541 5304211.764 1897195.214 1755083.856 1641465.169 1307198.341 1025609.978 2294203.654 373421.9517 986347.7769 665032.8143 507895.0405 1412937.808 1309209.528 737982.6741 1155036.188 1694769.191 2346378.801 2213980.782 2836575.926 1704563.988 1741015.81 1692043.033 1530690.209 1714688.996 1829424.935 1602015.964 1600324.98 1790368.051 204.7727578 228.078473 225.2147438 221.6222423 247.675278 273.6797272 TG(58:9)_M+NH3_feature2 240481.1298 366061.473 436784.685 889373.5383 459665.8886 521338.0276 118706.4459 260805.6426 376877.0672 1896923.501 147321.051 256575.9944 150726.6819 203497.0005 131304.7744 166945.1371 357703.2111 304161.5967 72557.15338 215702.4653 390362.9551 562117.9184 1209736.485 668475.5079 371033.2424 477470.2059 298289.9229 289597.8385 423151.8579 682158.4731 1131665.53 1784081.24 1047139.668 490351.8604 768992.9606 1937021.85 307689.8531 486642.529 350464.8002 238908.0744 193785.9957 483283.4355 88115.73258 281269.1052 143210.4945 105933.5134 385851.5302 283091.6006 156489.0253 247667.7599 535653.2284 514792.8614 703123.4843 530477.3184 388710.8512 362171.8089 371578.1911 368646.4011 319762.9837 361932.1533 359151.5143 514325.5348 283050.6596 206.8138017 238.7232265 247.5097395 182.3064228 205.183061 225.4266375 TG(58:8)>TG(18:2_18:2_22:4)_feature4 2184491.216 1275064.18 2842938.45 5222900.393 2936051.164 3820560.331 1047283.754 1660742.327 2576610.282 7663110.515 774932.345 2774331.899 787439.1099 1254501.964 1404524.371 586935.5569 1745851.022 3398439.752 690251.9209 1218673.629 2201474.538 2175866.993 4802972.485 3279619.768 1783200.793 2589546.696 2391363.669 1812742.812 1981428.376 3690343.266 7155724.334 7701307.115 5486801.183 2797456.13 4789697.538 9661577.541 2207750.987 2647688.604 2700626.091 1620531.98 1160720.006 2541287.594 477253.6435 1079674.268 775049.8867 674859.2201 1543786.893 1695006.583 1124963.564 1440891.554 2730567.579 3300921.267 2912062.95 3624235.361 2100642.867 2176840.708 2407496.791 2434153.6 2193062.373 2279548.168 2353681.045 2231899.536 2095384.801 258.9874249 287.8088935 279.3251718 279.7636381 288.3473722 334.9777609 TG(58:8)_M+NH3_feature2 121789.9213 82760.17323 115207.9576 237621.415 160108.0083 264568.843 62697.56823 117067.7281 161606.2678 275203.36 56156.90938 116926.401 37071.22028 124113.1464 56794.21137 27186.77839 110540.9198 190892.1737 53576.26187 83249.32688 105020.4154 102505.0229 203735.7848 166484.9748 126830.4589 124648.636 126619.7603 94183.33549 120124.2008 185650.5191 270044.9011 328046.0041 276226.441 192645.9533 306583.4549 286929.5258 72072.9438 167705.3644 132596.4673 115562.4696 86752.10522 182476.5491 30312.35192 74555.60397 43738.51885 33595.57042 99748.80285 91281.93246 82636.94687 70176.85764 207117.0216 261319.6795 240530.1852 297496.3982 167586.4422 147220.604 119460.1922 114482.5938 108334.5558 141390.5327 162565.8102 160881.7105 140917.6822 150.005723 174.4145125 182.1609256 250.3794768 286.5937353 316.455841 TG(58:8)_M+NH3_feature5 1877114.677 988411.9769 1552427.359 2440438.768 1666137.979 1818251.465 1018309.203 1340439.526 1686902.149 2828209.015 1075921.696 1899146.056 1096500.37 1432422.69 1588136.296 710359.1941 1935120.781 2248511.318 832810.365 1311121.733 1220515.651 1205206.849 2562124.119 1642853.364 811439.6748 2266051.748 1979361.074 1502990.238 1969359.857 2429227.279 2876757.776 2282520.63 2576923.859 1822351.791 2223128.534 3804073.105 1659145.91 1839583.964 1540077.255 1477444.545 1335432.386 2133199.242 660216.0479 1404867.252 1008000.287 837663.7003 1729969.012 1752177.403 1163503.428 1576264.453 1278802.365 1426359.023 1701337.809 1572528.28 1819804.629 1775585.043 1872820.594 1768674.938 1807886.803 1800032.175 1803950.208 1849522.682 1791718.142 518.2438778 698.0542121 764.4241519 579.3288021 683.6122498 661.9825355 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature1 439547.0156 354749.2544 402171.7891 593767.5191 418732.9549 750855.779 259060.1502 457481.2371 538521.1108 602580.9374 246000.9985 473520.1765 204130.0504 467647.3726 318816.2156 218138.2305 395968.9089 615573.3024 232753.5958 348878.5198 423307.8941 381639.9069 435593.095 464651.7681 497574.3974 528573.2662 478964.0439 344087.7866 468680.2004 599741.4409 668500.6264 433366.1884 488751.8674 639937.8146 752540.0939 747973.2478 554209.1341 647617.6985 516928.4432 499246.2356 367082.4337 475494.2643 157429.7765 359278.4312 193586.408 198411.7349 262097.0419 382824.6914 344140.4091 308667.2552 546472.168 733753.8468 563263.9235 739279.6416 587499.3832 441769.084 453895.6833 354649.6579 399980.4633 427472.8049 498633.125 502796.0244 561626.6574 279.6369417 294.1349738 296.1328095 961.7386777 560.4390856 615.3406189 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 3752969.794 2540177.655 3330878.738 9073414.662 4989185.694 5676263.255 2085489.244 2974600.109 3940207.795 15742497.67 1843904.778 4510278.473 1879292.677 2962216.513 3096156.515 1332651.689 4580856.989 7314995.17 1575958.028 2469442.5 2750190.82 2668319.518 6894601.306 4987596.891 2096857.787 4289750.916 4288387.569 3074897.556 3583676.609 7075534.15 9883714.733 10357269.93 11211779.48 5496651.696 9880510.543 13738565.94 4151216.391 4417341.174 3821112.416 3281143.008 2335373.633 4490942.481 1072170.024 2434531.968 1726949.699 1456458.997 3434507.633 4769767.949 2222497.519 2893569.443 3480247.325 4644176.248 3781662.654 5004245.084 4466779.905 4252778.689 4343079.758 4248194.955 4331637.637 4283799.522 4478917.669 4269713.043 4366089.297 285.5032803 314.6600561 481.9123953 301.710243 327.833068 335.8975693 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 594732.6344 335240.7971 814188.8831 1191392.061 801677.221 1003218.92 369463.9104 467229.3472 632824.07 1653146.279 269128.4709 1076168.86 315090.7592 438709.4325 500957.4561 211667.0212 722524.9454 1159872.034 233387.6898 339635.7016 500031.9735 309483.1727 1337890.761 755816.3195 504587.4501 900480.98 507857.1751 559602.3682 813459.6239 1336807.075 1722747.511 1455823.408 1432251.366 728907.359 1154926.875 2388335.955 680470.649 398047.0367 749496.754 654128.4765 366892.0425 905963.6916 147639.9727 495334.5698 237177.5184 182125.3537 604845.4599 544513.8788 319326.9778 466142.822 415263.0285 732487.4626 960509.2772 1004171.4 748214.5568 716384.2424 729093.9961 703115.874 706535.4964 771490.6667 738299.8514 724561.5067 716355.1879 238.2754482 244.6441239 236.0770249 230.9862876 234.8200968 237.2109827 TG(58:6)_M+NH3_feature4 1255875.967 1334448.675 2311831.054 4778421.255 2933376.267 3321250.302 1000334.318 1629679.615 2240808.703 3941003.46 1126836.904 2838659.396 879399.1333 1477962.206 1535177.706 262892.3154 2421604.18 3178803.778 783764.4891 1387049.998 1537760.719 1200077.416 2155801.537 2049221.794 957769.1789 2813944.89 2501688.966 1159728.475 2212534.663 3395687.347 9131222.847 3530478 4975437.89 2290468.917 4306623.972 3801319.836 1759426.892 2791885.694 1706721.836 2193922.021 969501.1385 2412741.517 438082.0212 1548629.514 858224.898 569288.5238 2190882.658 2215634.288 1254168.061 1981080.369 1018782.299 2110158.098 2268012.976 2131832.906 2434543.856 2419311.231 2556249.254 2368563.376 2430713.85 2512592.893 2437532.785 2508273.133 2387642.504 211.9513859 213.4381308 210.2741489 219.2523813 213.4052284 217.4291973 TG(58:5)_M+NH3_feature5 1265996.126 798547.9319 1120852.187 2593127.254 1508846.843 1567196.128 596777.4605 779548.7964 1104723.514 4019699.666 490902.2819 1390264.691 491521.6534 785339.9582 1083318.728 383768.5292 948329.4643 1412709.396 458338.6905 796164.5115 758512.6976 622746.2693 1647255.595 1331696.145 817266.0557 1502261.843 1211571.336 994478.0723 1133236.517 1661419.889 2763820.309 3267160.2 2652403.406 1401662.942 2043237.914 4460832.235 1466970.672 1436987.21 1231062.058 1207289.21 964463.9461 1642010.96 560210.6977 989133.4495 635320.2117 604516.1812 1041175.786 1606391.543 1074111.831 1308981.984 768793.1927 817916.5923 972307.1362 1037706.502 1288704.103 1251765.766 1270001.809 1132649.503 1296950.915 1300014.816 1284234.764 1226330.826 1251891.504 222.7739072 239.252911 235.6644667 218.9336807 217.5312388 229.6858069 TG(58:4)_M+NH3_feature5 972495.6041 788802.4746 1598827.818 1375688.09 1768650.763 1647651.409 575304.4641 676666.8897 857174.4142 2538505.828 456465.2471 779959.064 524992.4179 637626.8619 647191.417 383018.5919 1799000.168 1422931.895 432601.6835 537502.6926 808065.4431 706519.0588 1927782.346 999565.0974 902590.4734 1322173.933 910729.5868 781429.187 994305.3517 2512737.825 1702928.003 3752226.664 2127617.188 956253.147 1372400.969 2072256.941 1257306.407 902853.9675 516336.4234 748524.2495 356458.044 1120597.641 268265.9362 418938.2175 461432.5596 336212.1971 820017.1055 733035.1673 452293.6707 531047.4702 1312969.159 1185217.054 1845273.427 1690343.639 1296386.399 1102072.154 1098397.866 1245313.32 958401.8808 958917.6101 1364997.699 1112551.895 1202459.138 308.8883967 309.9923701 318.8699549 250.7839567 247.8961061 253.993991 TG(58:4)_M+NH3_feature7 334307.2866 233039.7816 61556.71907 1149256.368 40124.86198 727960.064 154317.2128 383393.4642 302449.2745 1718354.924 120868.375 386824.2597 147594.7275 220149.1172 527866.6354 199819.5881 55244.01502 609145.312 123140.3555 234370.1739 387073.5856 370274.3352 883721.7597 643307.5083 349270.2555 371485.2924 539489.269 331939.3117 276155.0228 59807.58146 562424.6663 1119109.183 165553.1648 624716.0005 836148.8231 798566.0282 780970.4087 681854.7122 341931.7827 677386.7576 196475.4578 446268.4778 98660.23814 337015.0267 153201.9084 214978.0609 199563.6383 597844.6138 223240.0277 521234.8254 435430.4816 63577.4036 76012.37133 46208.20916 456801.717 380079.186 620868.3246 74458.05243 520964.0305 528953.3716 448298.6589 529950.8288 419405.431 275.6595239 293.0893734 301.7913573 254.3556387 272.4297525 279.2970045 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature3 1022959.926 765706.1074 1621970.608 2786931.521 2205481.092 2426751.633 615245.2822 785430.697 1252229.485 6936322.379 492383.2944 1604173.199 673026.4232 831709.0581 759892.9044 516790.7443 2044790.732 1935659.552 459466.1473 597107.1903 911747.3852 959186.4944 2750133.276 1655320.247 1116307.727 1717859.859 1502586.258 859769.1616 1119475.111 2941439.73 2830065.095 5635479.997 3966360.293 1744116.58 3012092.661 3499257.501 2112909.308 1586457.295 1063263.14 1043162.114 569220.765 1654654.384 241043.6719 707210.7409 444642.3512 381708.4351 776955.8844 739311.0049 581970.698 682715.4455 1250466.564 1343506.146 1825307.744 2084628.531 1570926.253 1495269.219 1498383.262 1409597.169 1383215.554 1520575.331 1522028.367 1488497.572 1543204.543 518.1509815 589.5228914 596.068055 545.1971679 587.413634 643.5433392 TG(58:2)_M+NH3_feature4 565316.4547 400019.3078 819445.0952 1342185.306 1148535.626 1389704.12 300607.4451 333569.4222 678420.7107 5108397.075 234369.5011 604926.4314 333668.4464 422734.4916 389116.4429 241755.4668 964162.6118 925726.4938 235327.3426 286603.8457 482159.2657 487808.0902 1684915.021 891254.4412 527354.9512 1005236.575 694261.2535 418919.4896 492677.5149 1662594.468 1388102.32 3280017.251 2117045.737 1037236.368 1666634.551 2040701.073 1011284.185 837437.7718 466706.1986 568832.7343 307265.8236 835891.7881 102635.0633 395154.2462 238221.0163 191464.6964 434540.5868 424224.1152 292644.7143 411088.4078 514595.5197 470534.6232 774566.9828 787953.143 702248.25 843445.0082 694508.5217 767524.0924 761149.1177 793052.3792 784890.0222 744377.3158 725173.3576 227.5063701 271.3245293 265.3047377 198.3376827 207.347858 230.0192149 TG(58:11)_M+NH3_feature1 53919.05581 41028.75653 57725.96745 84775.90458 51342.33136 60540.5286 29964.6773 43451.22623 51024.01648 128205.6384 30968.95462 55569.32929 51487.59893 97112.60706 53938.08377 26843.07639 46982.43495 65773.64178 29645.68314 56608.40329 54190.13359 65339.63611 89761.57499 66333.39911 46803.7883 83152.65144 50681.14718 50349.59004 71392.86107 115382.4059 69466.11787 88500.86525 70103.94769 46125.7166 60551.45569 89325.21782 32417.235 32760.45634 36340.65457 28286.78378 55222.74665 77035.61718 28437.17819 26614.79471 32945.41134 24535.59152 47058.41374 44633.93229 30589.54637 47158.05465 58113.54091 62779.15187 61935.93566 71360.97321 61241.58631 51718.36341 42241.95131 51046.29572 57653.96013 44743.54188 50633.1662 51219.96354 59464.84501 191.0425242 259.331297 431.7922179 194.1159615 209.0604207 296.8276992 TG(58:10)_M+NH3_feature3 166098.9821 68769.8527 125719.5145 239974.042 141385.6215 108681.7341 80762.61514 143394.4654 191323.5047 539071.9364 71071.97129 196358.9741 80527.18715 186760.6915 124461.6608 50498.18281 180264.7131 294674.5546 63422.62288 94831.9912 135554.6787 134086.7124 261499.4848 227210.5032 136503.2967 196402.0523 176449.49 120212.8864 221548.4362 322068.0422 313933.227 170373.667 323894.7403 177771.7617 280878.9571 477720.7098 127604.0867 181650.5261 132221.1871 120504.891 101831.1197 199720.4286 40504.13951 107222.2491 54395.18149 46291.77961 133868.4728 138786.9832 66904.5767 96661.05818 144085.1473 100743.9079 211726.2757 251422.0541 152529.9151 147152.976 147279.1633 130338.3814 156860.9325 158873.7727 141870.6942 156332.537 140507.4085 160.1483927 186.854925 187.8189967 183.6035482 189.2525288 246.3950009 TG(58:10)_M+NH3_feature2 488314.8868 285818.5906 486326.2505 949495.5863 545557.9166 650040.0103 245929.3094 386768.275 511488.4204 1841427.323 225690.2719 546513.751 245053.8101 477792.7985 423533.6007 168420.3934 421109.533 687622.1667 211612.8146 343126.7148 435751.8477 516147.9061 1122650.597 727142.3528 417169.2488 693500.4552 441701.1368 384434.1507 527658.6403 948279.2106 1095374.224 1534886.877 1069944.681 539228.9985 884657.5841 1523110.028 455117.8075 429692.3869 449882.3992 330311.6446 353819.7011 660603.2875 179014.2633 311792.6114 252722.5375 188960.4454 406863.5234 453778.0459 317134.3987 424666.4658 593239.4905 629928.7193 658656.9052 692833.2403 480624.8992 464602.5457 457882.0048 462366.1221 455873.2426 485031.1124 477636.9326 470578.8232 458334.5396 182.9120566 269.4748613 266.8312978 190.1637312 226.6322162 378.6488609 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature2 186257.6136 112183.7965 201469.0938 286337.215 265823.7535 327762.8709 84520.51648 94594.88396 185764.2886 763795.9997 62411.43689 131018.3764 89088.00537 127079.5735 140613.6248 82719.61847 220476.6677 158898.4064 71124.94782 97610.56952 125519.3338 128045.532 402960.7327 251846.5793 162726.8215 256515.4879 162543.5832 124278.8562 117288.8498 352865.0173 317774.6333 686170.8587 402884.948 252337.4318 336532.1042 447795.216 234979.957 229371.4747 116808.9237 161721.3851 114011.7236 223998.4245 39903.08431 131219.8449 79988.28054 72589.98247 107175.1114 135770.2638 98931.52142 138767.8051 106416.4262 95769.40914 172652.2198 157261.36 200131.9015 211983.0275 198351.6121 211802.7595 211112.6767 208122.5855 211443.8379 207712.5877 196961.8232 188.5433643 193.6235585 196.957942 167.1549049 183.1167961 187.4638129 TG(57:3)_M+NH3_feature2 134983.4623 79940.88036 294306.8093 549385.3892 439114.5956 540850.0661 70201.39348 93713.58275 206942.1347 1446868.438 40034.92716 222185.7576 62733.25606 78796.89749 68276.79699 46233.10438 259842.5925 239546.9735 39785.92775 43283.33015 124315.7335 122273.2037 529131.4223 249712.102 163483.6152 149452.9825 143256.461 91376.98283 127700.1088 419130.8681 650474.8608 1126033.465 830211.3692 339504.2633 540716.7234 757723.6087 388053.7008 239032.0362 180393.9943 160732.5141 50630.36015 217740.9436 16099.37913 77390.18277 36963.93345 27285.13581 89483.17815 78712.23841 71028.67852 73929.90641 191854.2818 224305.7969 320498.5852 431468.1958 236685.1931 217823.6116 214162.0203 213462.1487 223430.6486 225902.0999 241233.8341 226732.4838 210808.113 258.5034457 287.0851009 284.8640237 302.8860106 326.9651788 334.8228915 TG(57:2)_M+NH3_feature1 76463.09453 60648.64625 91536.11211 131182.7639 117204.9986 111478.5252 45471.17444 64724.60809 46410.32142 184289.6194 30354.17389 55880.66144 44640.5218 63592.04379 55061.70198 25493.01887 88864.57074 78506.22331 28967.26212 41583.45488 85841.43885 61478.27715 97222.23716 83140.03769 61806.59364 75155.87483 65261.55353 65263.34932 48955.21522 183279.7267 127915.6799 177558.1721 127102.9425 117380.4342 117461.8012 202397.0897 99265.53448 93765.92922 68387.75007 56091.40788 52739.93968 74557.31374 27110.06431 45570.13403 30514.69772 44173.30247 55103.32517 52532.75269 55317.19268 44764.87995 94798.64832 88757.96315 139371.3582 94648.60588 93793.24271 71746.84577 84447.15502 66419.00327 69791.31187 73485.08232 87380.6915 56289.14692 105986.5483 505.667762 517.4439331 547.6305008 635.8127514 672.6651443 682.1033797 TG(57:1)>TG(16:0_18:1_23:0)_and_TG(18:0_18:1_21:0)_M+NH3_feature1 41823.23623 24967.70745 57076.1596 89395.89746 74263.17268 105106.5 21189.66043 26237.73206 48774.82667 334864.2664 10270.18006 42048.92233 18681.48974 23875.95313 22820.56351 14327.67442 60742.69979 50158.36265 14458.25787 14908.95658 29576.00387 34029.44472 121219.3998 64130.3706 42129.54104 57097.15625 47538.6841 23997.41056 29154.28183 104823.7494 95470.00295 226439.7937 113702.0025 65976.36602 95446.45759 138347.1421 62904.11725 52108.59318 28792.38377 38930.61299 16660.44239 49565.51126 5785.38441 29994.46299 10997.57088 10363.23822 27308.67361 23446.32427 20818.11943 23607.9029 31183.62317 28623.81129 49878.32695 55511.21566 54892.15368 52156.63583 52388.33752 52687.09249 55587.22106 51059.15665 57850.9215 52778.07969 51618.93634 222.1997395 254.8866492 254.2315657 193.8780293 224.7099539 240.4823554 TG(56:9)_M+NH3_feature2 222984.0801 123845.2512 152860.7309 305806.6082 287806.6719 325323.7946 127048.2831 145247.4072 263817.1416 1211468.047 78382.49243 184495.3608 88411.3746 161865.5501 123848.0413 74853.13428 192239.2615 307483.1903 103233.7121 106980.6726 253937.3063 289844.8636 668334.4176 446537.562 217614.0407 203810.6544 161720.5737 157762.1722 231942.8349 458775.8224 297930.9797 730249.0438 476356.4486 186289.5277 325455.6546 428023.6518 117789.4853 124509.4781 130220.2859 118216.2145 110333.0226 234001.838 60788.03072 83862.87034 84706.79029 62177.41681 133295.3208 127804.3887 76408.98218 120991.1652 266018.496 214706.0139 310373.6109 348971.298 186704.335 184899.0148 252875.1622 223900.0662 233196.0399 167226.0948 233660.9659 204679.666 196588.5236 199.2322554 353.1523262 362.6217419 179.609878 228.7618605 371.2452362 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature3 1921623.525 1018327.34 1288570.367 4655000.603 2861465.566 3288985.164 649244.2962 1554798.477 2531992.193 12491402.99 775106.9091 2930052.182 870397.5527 1633733.62 973063.0179 614964.0527 2822644.58 2793195.736 761916.6866 1170263.276 1083471.554 1136234.704 4998404.692 3795654.408 1812975.84 1439665.924 2167990.566 1512328.852 2848893.322 5298305.859 5129151.06 8487318.567 6945807.825 2855831.375 5684738.271 7340332.106 2189546.789 2238699.173 1802101.215 1581779.683 1160499.973 3073296.086 456592.4492 1123690.167 643349.6318 507785.8538 1758960.369 1601970.527 946477.8684 1325248.885 2727723.76 2758975.09 3542115.273 4023191.406 2196644.296 2402462.506 2159055.09 2036692.729 1375003.836 2328789.27 2238906.819 2247623.359 2260847.415 202.0674896 234.0228168 243.4466974 313.3638901 257.6315578 282.2718142 TG(56:8)_M+NH3_feature5 1613670.581 751190.7025 2085286.117 3601753.529 2498328.092 2920529.314 840155.9267 1399285.913 2356286.047 7146267.127 671068.2561 2960543.358 832757.9637 1477048.929 1091968.285 551627.1256 2103722.909 3257466.726 669211.9796 853038.3399 1555048.622 1720305.793 3827921.858 2872544.635 2030201.647 2255982.356 2331193.43 1250005.154 2361241.142 4873350.687 5170346.517 4291807.612 4477549.254 2483257.495 3753300.715 6282989.246 1719849.122 1824066.326 1881702.209 1384047.545 974697.5358 2272060.956 322771.715 950986.8559 540684.9365 437800.6631 1301060.831 1026917.937 709221.3591 958606.3564 1886344.111 2379538.212 2544160.058 3160080.463 1866214.536 1927610.135 1865648.885 1847046.582 2034955.478 1807787.719 1877180.141 1859340.332 1925264.196 172.2941053 192.0179853 189.7208631 443.709121 220.6283939 309.3471668 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 1994167.201 1149094.824 2770307.5 4705938.015 2855550.53 3718392.656 1068402.241 1807253.56 2836072.404 7430668.149 1125871.801 4306577.284 1556068.743 2256316.74 1798190.919 942309.7218 3715015.962 4898586.514 1078736.093 1500257.918 1870717.587 1898785.559 3863767.497 3128768.638 2167353.793 3229106.222 3453690.124 1945014.207 3409913.476 5143060.681 5679279.594 4543674.86 4812104.397 2758629.706 5263446.588 7023145.595 2279149.346 2376414.732 2673920.918 1956161.976 1474984.782 3661111.698 503437.5265 1517551.086 871203.4725 710110.2768 2428778.262 1981007.738 1227125.001 1577417.79 2392615.772 3088122.663 3320642.529 3994399.198 2856879.453 2788363.399 2860718.422 2556858.991 2507910.383 2603059.087 2714378.494 2819239.119 2955751.181 221.7663472 274.3901734 285.1841645 263.429468 269.1816657 283.6596219 TG(56:7)_feature5 8863235.453 5305948.888 8579198.263 18624636.95 11027036.9 12969533.72 5078120.59 7344294.979 11619921.9 34872693.3 4095635.009 11647145.52 4244389.96 6981960.444 5791294.655 3338184.11 9383752.404 16254800.41 3890690.398 5640988.497 7845137.123 7257046.566 17599040.07 12417732.48 7707505.436 9952926.717 9240470.446 7312646.12 9799428.49 14991325.82 20760784.34 25999248.56 23753452.37 11854618.18 19803470.41 26100910.19 9760635.037 10217548.75 9185085.016 7228775.181 5174689.103 11639274.61 2587120.681 5329781.866 3599987.702 3337806.472 7902861.86 7518832.254 4838184.676 6227111.337 10567939.06 12283446.15 14099501.66 15331018.38 9870962.603 9721216.786 9746561.643 9647699.482 9941327.483 9958550.637 9991179.22 9673610.55 9655901.07 1869.522395 1059.996359 1089.996076 2627.45909 1502.889922 1318.675942 TG(56:7)_M+NH3_feature3 181633.0767 84773.41372 189967.5045 481906.8097 264995.3696 336940.3798 100836.6874 139693.4757 271187.3159 1305546.422 63467.58739 247709.2621 73950.77471 133871.2291 103941.8277 51783.57313 225194.2171 441798.3056 62612.21715 111933.9287 167354.7539 147209.06 519148.6472 323706.8653 149888.0675 243913.8284 226453.7069 97847.35362 217796.9027 477310.2252 533737.7001 927849.1844 777789.9961 270571.5111 590425.1646 729228.9043 239611.9183 219400.4604 212168.7901 139665.2405 97069.00132 312350.0088 38562.19403 110752.927 59086.08759 51602.24934 172019.8227 157760.8 95331.60058 126401.4324 274551.7289 331991.6717 340092.5813 441936.6894 225908.5565 212646.3079 195691.7806 192538.1262 195273.098 224908.0087 201591.3485 210493.8708 218910.507 231.2145458 269.4327803 278.6776051 367.1254055 301.978269 331.0211681 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_feature5 503021.4671 256235.3624 785133.2365 1439348.999 789522.2463 1204512.188 249486.5397 457719.5932 719755.6496 2392223.99 222185.3365 1093284.331 269904.8601 439603.1803 421831.6584 157320.6301 745115.3138 1338997.153 216613.831 280811.6317 396126.2361 468157.043 1339776.677 901285.6908 479290.3889 785934.6271 857548.8566 463672.7444 745435.8609 1272253.788 1987517.049 1558426.356 1170887.382 731249.4369 1313553.524 2830470.516 639250.9628 706975.0239 744028.1169 520414.1181 294784.4633 845028.3657 98177.49127 345897.2466 169960.3213 132096.0886 462648.6817 380337.1674 243977.0442 354482.4456 653365.8487 822036.2371 1041913.167 1182855.654 749776.6996 765421.212 729604.4821 697150.2975 745246.7973 765427.4582 754352.8415 746780.4264 732939.4481 369.0070985 371.3354881 364.0894736 372.9824402 373.15954 370.1560763 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_feature4 3595021.922 2262848.512 2404264.41 3969667.139 3122966.263 3237907.54 1725380.812 2933394.715 2874732.214 864831.5183 2188926.729 15145450.47 1552402.866 1991668.536 2748961.717 2833481.733 2463567.511 23591479.62 1314184.7 2501281.775 7859272.853 6418403.69 17778592.3 826289.5823 2671080.923 3174793.617 581400.6142 2578810.069 11014421.84 18081087.25 4053616.773 516870.2443 3875262.136 3023742.72 1014652.373 6002851.71 3018214.614 2888236.836 2771210.571 1949687.421 2298326.398 3858544.079 1500308.772 2472282.125 1822422.841 1719567.344 3021262.324 2784558.21 2132831.554 3002186.399 2951783.776 3132104.74 3503110.909 2390163.606 576809.2773 3133389.739 3193293.965 3227698.876 3283457.78 3167838.797 2949939.986 2974825.718 3448789.286 283.2330288 289.8211839 297.2027134 270.1648871 320.8539141 282.8556586 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 9464816.63 5140127.803 8872153.051 20811041.48 12064879.71 14564125.51 5230980.41 7690180.032 11768680.96 46163635.56 4659769.783 15162470.28 4438036.678 9193408.374 6537796.703 2843986.208 10724309.94 21873540.24 4084234.401 5751750.05 7399172.388 6183140.232 16996178.49 13082781.93 7753711.362 11445313.99 13713463.03 7579012.342 10476044.53 16679583.48 25457348.16 30297702.98 29838642.8 12498767.11 26555299.28 35613932.73 11053507.23 11288234.25 9789466.167 8426354.082 5514789.328 13348907.1 2572916.128 6192404.52 3629051.613 3006043.595 8614071.167 9126925.145 5259205.054 6473638.6 9864938.659 11995993.34 12583776.61 14391886.81 12830322.59 10789323.06 10631577.68 10421463.98 12343647.59 10636525.11 11755983.36 11827301.26 11445072.34 272.5307534 305.81019 295.593003 321.2995122 349.6029926 362.9092919 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature4 5008512.367 2297914.561 3754440.124 10176744.46 4980733.679 5498098.35 1463335.436 3885797.488 5335327.561 17250943.88 2341118.018 7154647.191 1844922.59 3353649.825 3390345.6 811284.9855 4300152.226 8397610.176 1039874.436 2812435.84 2655574.138 2451593.347 7199710.959 5720904.938 2640111.278 5957432.413 5578707.738 4002193.244 4329077.481 8325297.692 10692222.66 13365645.2 11507151.08 5735703.211 9736815.895 14229969.86 4157078.626 5709394.409 4131948.063 4196254.913 2802397.883 6146642.236 1340889.431 3259916.07 2008300.639 1697834.323 4361415.216 4931483.653 2975848.968 4047805.285 1473009.134 1978042.416 2445862.666 2657842.778 5453871.585 5157123.265 5663108.4 5194490.129 5784569.38 5473671.082 5129864.097 5557673.427 5351031.765 735.4382298 416.525306 416.929057 396.7190737 396.6657189 395.2951565 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 4346189.43 2931683.242 2973602.021 6556545.684 3960591.155 4581943.607 2518568.579 3477071.892 3972060.624 10927050.36 2197445.751 4515598.273 2056569.7 3665367.895 3340291.652 1643387.57 3124733.412 5507252.277 1821397.296 2868516.546 2860573.355 2528766.617 5685168.826 4433153.456 3501832.937 4402009.982 3594200.366 3261788.394 3743962.241 5258964.815 6513494.594 8383447.581 7551407.672 4201848.312 6094347.638 8937101.83 4018062.331 4350976.71 3483228.035 3230133.515 3159953.382 6037285.913 1807844.345 2978599.895 2234903.769 2087578.076 3580141.523 4243911.464 2637542.911 3770557.442 3631259.815 4076514.952 4067694.144 4642524.49 3962242.408 4015393.87 4230574.606 3921864.847 4011925.866 4156895.13 4218043.414 4004231.899 3895784.978 210.3758239 212.6127603 221.1026176 202.0242715 203.8080467 214.1586014 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature3 3877638.941 3714235.184 6065683.94 7627668.671 7021997.336 7709187.07 3528060.84 3801407.484 4444579.014 11543008.64 2229281.414 5241169.198 2366937.4 2923436.441 2871731.788 1785943.801 6544169.404 6768797.077 2776262.936 2539364.962 3688623.361 3955099.194 8164711.297 4679769.908 3843058.163 4672564.449 4517441.921 3483991.086 5049675.974 7433902.64 8750206.165 10480843.26 9017045.6 5015302.235 7151974.096 9732146.141 6302162.93 4368393.341 5002501.937 3351463.498 2296348.13 4987000.79 1145338.299 2913938.545 2038219.299 1484753.544 3354551.849 3189448.11 2615796.494 2883351.232 6183854.948 6498072.937 7549585.052 8078990.467 4630791.586 5029758.903 4783084.445 4793879.047 4669698.881 4899404.017 4956073.058 4837282.545 4657522.014 247.3425562 261.0058021 245.7156114 247.694627 255.905177 261.1386574 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature1 1060413.903 920272.0195 1402354.776 1815651.172 1588712.233 1295936.24 1009889.819 1342898.504 1477103.137 1175003.795 632064.0032 669172.1282 820641.1233 1141402.499 645995.1796 679993.9784 1324496.94 820266.7729 814066.7535 666581.7062 1111660.061 1178071.451 1266651.009 1312622.522 1275295.075 1188575.897 1142093.956 623756.6801 1143406.204 899749.9752 1463038.464 1602371.207 1180335.992 980107.2277 1876253.429 1253159.518 1951322.363 911276.1089 1227921.618 1284773.298 841353.1054 1415976.805 303500.1248 813830.2707 530905.4867 445698.1379 1123129.257 970536.807 873205.054 815326.7658 1312938.67 2315345.915 2313487.61 2028801.827 1987769.664 1737377.824 1394873.646 1233935.75 1314695.731 1502292.173 1660460.145 1893047.576 1864431.315 556.8162933 772.9877087 777.3109338 964.3826622 1043.8054 1090.874869 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature4 5810565.842 4518084.238 8736018.018 15192271.33 11063963.1 12560994.31 4227208.029 5103225.7 6913992.531 17282851.56 3177029.186 10125513.35 3979216.254 4946072.443 4443926.197 3089030.976 11256966.43 11374988.86 3792410.933 3651031.9 5783047.062 5523192.376 14105138.88 8091273.546 6070466.876 9175398.953 8903386.767 5260765.901 7531437.134 14243523.49 16183794.94 20727601.49 13340413.77 9385630.584 13688758.99 19376646.65 10012689.47 7682488.935 7820338.969 5894216.652 3290549.95 9101341.416 1373061.437 4299182.426 3146734.832 2046453.126 6172830.655 4620755.318 3658831.462 4658283.977 8954563.771 9594236.49 12112141.89 12050290.34 8976691.667 9017835.029 9710182.945 8673856.591 9033100.215 8788715.669 9220769.072 8987533.687 9241397.349 264.1351854 268.2130309 270.299367 254.2086536 251.8939697 271.1328289 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature2 359404.3715 563258.1459 566664.2228 1021072.011 558429.978 1457080.018 350151.6881 516100.5412 518096.3171 869253.9824 338435.2429 743067.4897 413831.6367 505905.0563 264735.1834 351946.688 361624.7435 780399.4641 395469.3829 403723.5428 444636.4318 699857.341 840807.9654 793330.539 478176.4442 405766.4935 432360.9846 336982.7463 388517.1576 762569.4206 935373.6347 1029820.403 1053917.804 573829.934 1011123.476 946709.5885 1110920.47 466392.3729 482023.4461 421586.681 441234.9966 470856.4973 156508.7169 473657.6694 300813.7843 248600.5682 390458.9494 403553.5376 499402.3575 409261.6306 720873.4557 1625206.151 952566.6801 1665632.785 577946.2831 557898.5551 585229.992 417310.918 669116.5216 485902.1427 574088.4268 468383.9175 666500.2133 126.0271869 133.6737794 128.95424 244.342913 251.7772408 257.8418448 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature5 676605.2861 323901.1742 560907.0916 1043550.623 664441.7839 724721.2929 263985.0611 450510.7853 447517.8612 1509838.612 224254.588 565329.0324 249589.0988 395592.1766 525199.3975 185739.0291 351723.2276 608671.2332 207857.8786 385396.1408 326686.695 292564.3479 552300.2953 473454.4509 391871.064 595150.1876 401733.289 386057.5004 381632.6353 554117.4124 1094228.973 1133426.3 1096955.67 516796.221 756922.0032 1539327.267 496468.0115 582485.88 451781.0912 516314.602 477646.3042 713304.0054 219720.7855 501152.1809 266180.7528 264550.4242 418777.4066 595099.4078 363067.6138 579617.3059 285799.7855 251633.9854 253761.2758 323530.4427 567009.6133 460641.195 477196.0331 406257.4224 432618.0977 463319.7096 594621.2657 437654.2611 504285.4705 208.528336 212.5652652 213.8424861 206.3365247 207.1111894 227.106154 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature6 807444.9737 615010.6863 482675.2175 870372.7977 626707.1325 705250.5349 448743.0342 595304.7387 554587.529 820643.6134 375811.3692 561277.3364 399986.1731 612455.1168 617841.7256 315641.269 282028.4727 641147.2854 309416.4156 503408.2649 438805.5567 455743.9806 730040.2992 652117.0728 542918.6559 680728.0407 465691.6371 565200.9448 571411.8012 653792.4569 702036.2045 954011.7744 746618.5941 669852.6004 572088.7925 920702.4638 688753.9017 656867.3677 552462.0588 606176.2291 559426.3661 844791.7351 326543.6101 490643.4725 383003.8173 333000.9572 496068.0326 601484.9065 446912.6953 638497.705 517180.5116 536176.9935 538930.1987 576701.9432 549861.7663 625722.0035 588149.5398 560254.1867 545122.9412 555293.6058 539532.4017 604661.5496 601413.7632 252.9168645 173.6414782 169.7207888 161.0149071 161.4141079 166.3440986 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_feature5 4326912.122 3294258.317 9557571.161 16939895.77 11907237.73 13346621.08 3221073.667 3734683.919 8219901.302 34438372.93 3092120.219 11892476.15 3342505.814 4780526.644 3824334.492 1931753.419 12916410.5 13144787.08 3129272.872 2479944.482 5195651.38 4080730.86 13486597.24 9268342.603 5794868.757 9285125.406 12437481.49 5013874.62 7462765.737 17950287.5 16565872.1 26171657.89 12684202.22 10562723.04 16633554.77 20360751.91 10322361.31 8946101.161 6984720.846 6196992.176 2473399.838 11405692.11 1050985.66 3135673.023 1839884.066 1468882.592 5576791.413 5419047.746 2921004.586 4491327.541 6890040.783 7657318.244 11992477.56 12442317.45 9128184.538 9451135.852 7331076.18 8989641.652 9762118.144 8782792.058 8907858.442 9233393.834 8510287.548 510.469101 621.803878 576.6170969 500.4461118 498.2396431 515.9607586 TG(56:2)_M+NH3_feature4 2111286.226 1318376.637 3618826.587 5601280.153 4561883.723 5719870.32 1371326.936 1703522.003 3004929.153 16731367.13 990062.3251 4728053.566 1292781.141 1586966.016 1368340.782 892807.4874 4477089.082 5251748.76 972151.1363 948652.8432 1767463.884 1770661.948 5922486.825 3740314.783 2196009.121 3238657.364 3671747.201 1644133.67 2341345.509 6261088.933 7035279.474 12305337.79 9676172.959 3835447.678 6542776.099 9517217.32 4218816.544 3235287.772 2503656.186 2213078.663 1042311.931 3700193.115 364672.0996 1257034.496 768878.217 620928.6555 1915638.168 1477318.494 1110593.56 1354081.184 2864718.581 2876810.365 4420202.516 4978966.858 3330364.623 3481438.202 3377929.141 3398730.281 3265331.555 3376473.097 3364775.088 3340847.4 3464335.774 177.1233748 201.4353354 203.5850943 179.972871 195.0659817 213.6257791 TG(56:1)_M+NH3_feature2 367478.3041 234091.758 530412.5562 886189.6525 644673.4888 486152.747 194661.5429 140709.6198 424464.451 2322663.033 136694.0311 433599.4584 200530.7591 295070.3427 267023.3977 153554.1757 549103.3273 565747.0476 145311.9531 162967.4882 273793.1742 296681.2354 1039909.034 587064.4739 363271.8989 594156.73 493999.1217 253850.9409 306549.2713 974765.53 546880.1315 1864314.289 1299925.394 629940.5358 980269.8841 1493603.406 644386.3658 563578.2761 179629.9158 380698.6918 212277.8524 548989.2027 62272.3749 254966.6547 137513.6068 113666.5291 155021.0077 249628.3455 184119.1492 259067.711 296272.9026 291684.7258 524771.8853 564813.7653 480299.3054 525120.3011 490754.8436 476358.5856 489892.3667 509139.9209 516363.0772 505602.7032 472565.7412 170.1710428 203.3130897 199.1611302 168.1363643 176.0617287 195.3777153 TG(56:1)_M+NH3_feature1 106101.3757 88029.87758 9755.07582 145450.0361 126558.4918 301423.327 86010.21303 191545.1417 264198.9764 526341.8835 57225.12106 448084.1346 63639.52829 97656.31356 69174.04762 39315.49986 182876.6328 673707.7948 76712.25536 50692.07865 133731.174 109446.6729 264902.611 175785.8662 103079.6472 132648.1938 202475.8429 78451.34452 107093.4376 154416.28 278811.4288 472880.4004 834935.6505 214759.8138 286306.8255 237671.1994 133151.9071 168175.2391 177123.4807 100614.6884 49142.14547 147587.705 25585.01025 67406.1305 53452.88911 23839.40706 128450.2235 68524.12791 58830.06765 60353.21758 393771.9502 322815.6384 853159.2441 572448.2301 193445.145 237732.6133 153104.3079 129229.2131 143921.7512 174786.6668 214479.2193 187486.1902 208646.0764 103.0639509 114.1197225 113.3351665 157.6623785 159.8238114 167.9541421 TG(55:7)_M+NH3_feature2 72924.2019 31822.87013 95054.51606 170143.4419 113397.7747 156034.5133 40728.71403 65150.18321 126757.4161 472713.3446 28824.22599 81365.27751 38921.96496 63809.07295 37264.16719 23627.74848 109912.4115 171464.7029 27682.50669 40229.8374 87743.189 87139.02236 220302.7241 147196.4563 82104.0125 92811.5638 108476.0462 58039.03974 113478.2278 131938.3318 223269.0433 290705.3022 172476.7769 111565.1295 236893.986 277236.6021 85627.16798 80232.67599 84894.05267 34466.36847 36285.1661 120269.0092 12372.27577 37316.45938 12239.31305 15143.38631 62386.79603 48042.61501 26254.20516 26967.60083 128491.3037 139251.8531 170916.5085 194968.352 95554.69916 96152.99502 110167.661 95647.35907 54720.58629 98211.17851 99738.5672 99977.98617 99965.81817 297.1898188 331.0383752 326.9063023 349.1959316 358.6948251 396.2831936 TG(55:6)_M+NH3_feature2 212191.1961 120509.0287 256287.3883 304074.0388 230869.3788 429714.4838 114474.9316 160868.5254 296913.0196 564079.0601 87429.57834 252055.8684 124944.8599 186234.351 132860.1639 91197.14202 247523.654 331701.9266 66126.54704 119409.2706 166812.1113 190454.0731 117773.5978 269128.946 249021.372 243966.8327 248330.913 144120.3806 298377.9249 356797.3022 419471.8668 261219.2348 481792.7626 222605.7207 558856.5955 765101.2353 146831.0247 236804.428 263416.8171 119372.6058 100096.742 291539.7833 42217.60266 127830.8123 68281.18157 50444.00988 196267.0812 155712.2964 108998.3595 128136.5779 277288.5981 275736.7342 384087.0632 539272.3158 191771.3015 195743.1808 247159.8146 204470.6757 263585.5681 262968.749 209399.4531 137554.0304 227771.2707 638.4905602 833.6421249 796.5848582 847.1991124 1003.274293 783.5763486 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature4 156693.9982 94515.51324 143951.8291 252345.0416 170965.7834 205162.5827 59628.78409 138953.0862 191692.8846 438773.6518 72499.44525 176172.6246 52537.138 115794.8212 102090.1113 55842.96439 143716.3118 244417.8349 130441.5689 95485.67882 112244.8753 219950.6081 221842.2611 208768.5109 144722.757 158074.1263 160719.9759 67492.05977 165028.8806 203555.3311 303557.0706 308024.6457 313389.0688 177163.3383 254425.2908 284038.5115 174981.8459 183254.633 97622.78997 137627.4014 64971.73505 182136.0539 47535.37069 99890.63428 67834.62737 49879.18515 136489.5229 87379.26225 74922.5189 110853.7921 274103.7825 170753.147 215935.9686 205095.4247 160055.1401 152270.4252 160019.9511 128359.758 160935.5029 171134.4996 149306.5651 149362.3595 156144.0685 258.0113961 550.3493264 258.8381324 251.5904232 459.0766513 519.4596196 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature2 265285.228 144646.8321 510076.9373 1228725.883 669076.9582 986394.1118 155601.4293 243738.4675 494498.3922 2742607.038 113318.6548 687019.985 145628.8852 220106.1165 146382.549 80186.89385 592599.4654 789108.1696 120330.0169 128169.0053 273007.7034 244485.6185 1163856.257 718059.7897 266596.1033 360718.3694 490656.6889 217218.049 529323.118 920102.6108 1234220.885 2270614.979 1718064.068 663261.5553 1267265.409 1693062.862 604898.203 505866.3687 320804.5319 303445.2682 81201.47079 574918.4784 24327.45081 159087.4116 83244.55679 39019.47789 365029.2568 224507.346 129172.9572 180687.5113 649248.3222 755844.3046 905409.0671 895245.0185 574310.3119 578869.8338 558703.1716 533578.4142 567096.9365 575152.8852 495092.3981 617018.6457 574911.3004 242.0746995 275.3438452 265.7791099 259.852124 282.2725688 283.0953295 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature1 60971.31596 53209.01535 90916.86424 126241.5178 154126.0394 137494.6097 60736.66601 46911.69681 78887.3066 156680.1983 45041.42628 98128.036 38144.38677 85725.92264 58446.28129 54340.55253 71014.85074 78735.90485 40246.11453 41541.09876 87589.24215 85421.88713 149961.2479 115397.0489 63742.21801 82702.24955 67519.25371 80835.62781 95431.77885 70069.31282 125586.3861 182068.1601 173317.2761 84857.03504 152337.7531 79479.64589 138530.3822 127834.8936 85489.293 111945.9403 33488.23253 70043.33277 13569.83365 53481.06982 43078.07582 32457.45314 92901.92993 46663.42554 57948.76539 36111.0269 110233.9097 139988.0654 114462.2949 109595.4699 82251.14815 112259.4094 89616.83787 98381.91502 98632.10606 105741.3918 102353.7179 114335.7321 71862.52255 717.3902733 953.4730263 990.2778834 680.2343641 821.4502008 854.942173 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 25281.98218 64610.36744 31443.22026 26369.52328 27288.59395 33663.1752 20676.61728 22518.44548 37655.47894 115572.2529 18691.02881 36140.75544 20215.01987 18501.33376 21569.60174 21469.06426 24468.92186 24865.38321 18555.71951 20939.21679 37212.69193 35923.12168 38961.6349 32131.96808 31730.53685 34000.00605 45038.16978 21022.73767 65340.06845 27421.06881 44343.09538 90599.68123 112067.3917 36299.14769 51086.99722 91091.92171 45162.59783 36892.07306 30410.66064 39053.18378 19882.77205 34764.45641 18444.10197 25344.71114 35483.02532 28037.44524 24111.4209 26894.51231 22106.80076 20199.71106 37637.85062 52463.51632 32715.61356 39006.09552 35053.14656 29453.02191 35731.42708 28555.76825 28082.90206 27590.05515 27688.33161 34637.26002 36770.11787 651.2204225 914.3768353 951.7372525 750.2160349 907.3879535 945.8689472 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_feature3 157487.1792 139926.1161 394220.0166 615396.9524 266448.4951 493930.2363 110226.0925 143787.6311 303798.7432 159076.2998 106090.8709 326626.7419 69272.25796 113139.6911 103378.0539 39831.20402 240100.658 323886.5122 98327.29917 60252.28235 244300.1409 208388.1727 397777.4715 252074.0789 205183.5853 75163.73683 23334.21861 111132.8588 236955.836 537884.4907 555470.3716 969553.3984 787671.0802 343989.5907 81828.37545 827229.9069 372820.5069 319648.3363 254871.1213 224561.5551 48767.68527 334564.9393 17577.93745 86386.14303 39087.85116 38023.26907 155471.2118 101551.7962 123043.7526 97804.8265 338093.5346 292322.4135 399158.2258 416579.969 270767.267 334485.5251 233742.0609 316084.7101 328410.7711 324209.8715 350261.5695 330999.6433 207152.8278 207.1378439 209.0233506 240.4464715 180.5010074 181.9028411 190.9403351 TG(55:4)>TG(18:1_18:2_19:1)_and_TG(18:2_18:2_19:0)_and_TG(18:1_18:1_19:2)_M+NH3_feature2 486934.3126 247652.1989 865741.5279 2626612.739 1499408.835 1875979.135 276447.917 425092.0946 1003265.756 6711122.953 167229.3951 1236399.273 214701.5081 376785.8342 234217.8646 134774.1057 1150916.884 1893086.46 172077.6562 177709.732 477169.1726 499227.6211 2618136.88 1303945.454 562942.3501 776202.9234 1003715.922 404001.8014 830474.6998 1950585.12 2475463.331 4942497.089 4308673.326 1440642.685 2716430.372 3375628.137 1447003.822 1091482.031 743546.0862 620879.1082 187411.4912 1146968.652 59009.63502 308823.2568 121373.3336 89363.00023 541678.7655 425772.2781 252405.8861 324822.9043 1114271.084 1257370.661 1661891.025 1985230.385 1144126.005 1100368.465 1105468.833 1075871.028 1106204.519 1121075.382 1142771.817 1092728.517 1117572.096 231.1600178 236.3213327 235.8976255 255.907359 259.5159755 267.2303802 TG(55:3)>TG(18:1_18:1_19:1)_and_TG(18:1_18:2_19:0)_M+NH3_feature3 609199.0881 319383.7567 1616621.309 2876865.783 1368057.914 811667.2543 357498.3442 524551.843 1224670.392 10823959.03 129991.6923 1480921.816 220106.3587 398277.8803 246613.1007 124072.3875 1404157.658 1863577.364 181319.8103 162680.0821 521958.3324 559532.7095 3629554.439 1440139.11 611715.7965 1026790.179 1094476.499 476308.0986 853340.8999 3139643.269 1858433.344 7783352.843 1529564.499 1516116.656 2784987.355 3695631.691 1690854.482 1139768.025 1214787.672 915005.5492 192570.3958 1183876.352 47721.4822 383318.944 119478.4126 76941.46595 793097.7784 525365.1986 230121.6726 615151.0095 1105603.771 1310373.229 1926957.565 1603508.077 1267773.023 1325893.365 1294160.298 1605078.513 1259674.494 1309157.837 1207135.332 1646637.653 1157375.984 295.8503693 315.5480149 310.7461938 286.4430692 284.6035398 300.5010785 TG(55:2)_M+NH3_feature2 723338.2199 432943.9494 1435950.414 2705506.978 1624125.484 2094672.479 439518.1206 566235.5852 1177881.546 6439521.738 242666.4261 1534266.042 376596.7006 483721.6726 350510.2922 242153.5632 1310664.269 1445322.341 281563.7587 249214.2397 660319.4002 611603.8726 2422906.293 1326016.452 791808.6181 1126877.663 1311133.163 536534.9701 752818.4346 2072530.727 2518087.587 4455813.283 3563683.192 1560183.396 2525587.417 3545997.539 1738086.287 1190658.935 983630.267 774133.8748 300923.487 1110383.104 93276.72726 454410.0892 209418.9498 143422.2889 693895.8029 515320.3252 400022.5839 450003.901 968651.7053 1129342.584 1464492.173 1969531.935 1256643.885 1163735.667 1160143.169 1051419.645 1115187.969 1187882.519 1222757.022 1151201.974 1202412.853 252.5308098 269.1016957 277.7145171 269.8998357 289.5946755 297.4237824 TG(55:1)>TG(18:0_18:1_19:0)_and_TG(16:0_18:1_21:0)_M+NH3_feature2 146614.3 103078.4218 280384.7224 584469.8088 341204.1203 506386.4144 102089.9356 133343.5515 234872.3511 1809394.669 52968.72071 263761.3797 69222.83114 88791.1287 69288.31846 52866.56189 264866.3462 280307.1479 52614.74566 47747.17565 137819.2855 128558.2327 573581.932 260386.5916 155493.1076 221159.4053 194009.3436 87360.10511 130573.3074 398826.0249 628982.0527 1243272.515 876708.4861 320468.9767 550230.6846 931473.0674 315680.5685 257101.1827 158451.8129 160274.0537 55595.28538 207991.6471 19973.17565 82630.45112 41423.93652 32451.74235 110496.3368 76762.00395 68115.01743 73729.09968 201168.9343 203352.4705 365278.4964 366225.9542 255130.3002 252970.2762 207143.5215 232411.4575 241653.745 241399.1415 262333.775 241604.1371 231100.2401 218.1702315 237.1831778 231.3343897 215.7149141 221.2492141 224.8553276 TG(54:8)_M+NH3_feature3 380818.3485 172152.8219 162084.3636 91710.53361 753957.3432 44165.11577 198907.69 342122.9874 33748.14615 201694.2022 153626.0538 108196.0255 142443.4723 241103.1033 201388.711 86175.319 93692.44231 123591.112 182231.7961 21292.90729 505576.9555 559596.8076 2202079.446 1137530.849 484242.2545 588169.8563 76560.43379 360644.0721 75957.38999 514010.5302 473200.8461 3360175.382 2403498.353 774137.9828 908460.711 1749251.489 615462.2781 517187.4857 53549.89768 26004.62574 188431.2269 529769.151 33530.17849 221784.4447 107555.0904 80271.73192 420710.6803 260550.6326 169423.4696 241370.0156 844901.717 41403.17087 86312.94588 60643.95806 588162.1487 584712.0506 583188.5687 593921.9449 596137.5304 609258.7157 661465.4998 475047.8459 617494.1021 201.0108611 296.5032224 293.9568957 300.7159208 277.0168972 347.6209969 TG(54:8)_M+NH3_feature1 77022.84845 36817.78573 84486.9638 150335.3027 129427.6032 62118.69811 47334.03701 75502.33053 115648.7911 220380.7277 35565.73675 142157.0243 62444.48283 89285.84524 38081.31477 36635.29336 152657.0587 251481.9463 40383.29606 35889.06705 99756.04162 125144.0618 203242.4473 157670.1904 109875.6123 118944.6989 103319.8387 74657.97991 86912.79522 103382.323 164813.1145 296343.1302 226368.3234 55589.11477 195052.2082 192543.4448 68647.9787 79179.04655 67349.5025 38435.69689 37080.24752 71216.78344 17544.37375 35284.29529 25108.24518 17590.30428 92191.78682 61377.99865 27841.31333 57250.31655 159692.261 125138.2027 223983.0562 196111.779 130025.4314 155250.8913 57498.64933 151519.3199 126715.2192 121184.4071 126909.1388 126681.4726 123350.6828 524.2738218 958.8662684 1089.912233 518.5535142 573.6862288 930.3171428 TG(54:7)>TG(18:2_18:2_18:3)_feature2 1414168.551 654219.2963 1500193.561 4080371.795 2924637.636 3632694.95 969710.8644 1251830.942 2334873.397 11188442.5 764878.6255 2525415.262 799649.7838 803804.864 685070.8544 526598.9629 1974289.434 3442038.261 749031.5008 492480.1422 2132695.572 2187241.729 4727156.903 3663707.56 1721080.187 1253558.319 2122684.286 1199563.06 2281221.472 4454274.522 2767356.731 10028194.36 7135978.321 2487175.931 2808636.882 3023834.184 2262268.07 1420195.485 1213608.228 923855.9369 647342.9589 1962085.362 242083.2866 807258.5033 435142.5089 295687.7623 1553509.508 730073.9967 596484.8885 996676.6923 3341212.626 3510751.21 4421315.866 2812274.683 2128201.991 2051559.112 1894746.054 1806916.715 1801228.198 2231928.622 2270236.287 1927381.088 1890423.004 1007.952461 1437.706945 1422.364574 956.6365213 1127.538899 1411.156635 TG(54:7)>TG(16:0_16:1_22:6)_and_TG(16:0_18:2_20:5)_M+NH3_feature4 739934.5368 326126.6738 665643.2349 1520692.068 1116094.369 1344250.811 243292.9462 573072.8767 1115706.529 4714785.782 347498.0123 1193231.129 568401.5429 1086204.699 514696.361 338029.8145 1562630.241 2747821.784 363422.8406 552799.4305 853441.9599 845443.5022 2013525.261 1523248.812 824574.8925 1091436.688 961153.0947 307570.2703 1467180.777 2004166.419 1987262.61 1940900.502 2414999.333 1013856.474 2116247.047 2505349.517 624324.0796 814460.5915 778392.2302 506887.6788 449425.101 1043866.007 154741.6976 448319.9624 211982.9613 189433.3293 811600.2128 612162.4898 284429.7927 461718.0674 1039341.766 1141922.114 1568290.528 1910521.514 1014888.778 1006278.562 1034506.471 993212.0748 1008259.786 1053871.169 983837.208 1022049.981 1013581.916 233.7253565 272.3262652 273.7714391 289.3704518 279.625979 323.6298531 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature1 6801.706118 3298.695725 7925.340418 33106.06684 18881.21247 32327.07812 5086.604041 10480.2352 19496.86138 143642.7229 4496.058919 40333.02572 8559.634875 20595.21716 4473.072458 5074.846589 32472.56285 56658.50429 7868.60148 5555.544745 11206.44266 9999.137759 43503.75497 27822.75798 12471.89145 18390.87289 23640.88056 10918.64871 25833.72166 68007.75293 37774.59111 63254.83786 66598.39544 14899.80209 54263.16299 47765.69051 17732.33734 18023.89424 6119.813457 5206.602779 5389.27914 24914.52533 798.666866 5469.772146 2269.138502 1873.465146 15571.72709 12243.96798 3843.01111 4871.111241 25771.28836 26767.97284 42546.10805 46373.56631 24604.73487 21932.38101 18124.42559 18153.18977 17557.27011 22135.06722 25397.61001 19281.16166 22617.21156 82.84128034 93.99822624 95.6182641 121.8258552 128.1122107 144.6534249 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 869527.0221 591529.961 39975.86891 64029.16314 2288107.527 2817438.279 423585.5476 651547.5674 2059557.304 231478.0627 11801.64925 1219374.22 371737.7791 185139.0522 59842.91883 12920.92067 1069334.609 107811.4724 12036.52076 13668.07146 807240.4579 919829.7211 91813.63728 2760002.6 31203.28266 679661.3545 1112055.384 21096.79547 1624257.592 3388240.469 82428.90654 92960.42273 112462.7781 1823072.416 84718.53377 98489.6464 26809.84793 34673.26774 28242.06527 19586.12615 18198.54457 1700600.053 8481.006329 17906.75944 12000.92691 9270.710327 33793.75979 698656.0961 8605.209007 24278.20515 39664.09903 51332.57596 66226.73409 71805.22782 28171.80993 35505.27813 38118.99614 37161.02621 33788.142 40789.74768 32707.51517 32736.0098 31565.87947 100.5703063 117.2605817 107.1601773 118.3325227 114.278387 132.1817822 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature2 92439.17358 41837.6611 119702.2842 332582.2424 184646.2248 239091.0327 51617.18297 81506.98578 189848.6409 1492333.022 31884.36688 111779.8788 28108.19199 41167.04406 49479.15507 18719.72655 96911.18498 206676.8812 26527.76587 19865.87435 123518.9762 132507.247 607648.8853 283944.0251 121231.5706 81623.20408 89269.34661 53344.83582 113262.4671 260884.0266 306171.1811 904319.1063 630537.63 189488.6085 396738.9367 463539.0378 139902.4635 111730.4313 106141.9203 69671.30302 24236.1038 125827.1544 7686.860578 29940.72045 26547.21531 15309.15728 101687.9679 52812.25297 36505.06977 34394.98532 225033.4364 223631.7489 313071.0189 316492.4269 148845.8038 147693.3024 146890.9358 146665.1607 154632.1159 148038.9846 143175.2489 140372.097 156198.8122 176.971095 260.4643008 257.6536505 228.2430495 203.4081971 254.5545261 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 6308802.272 3064084.822 5726505.827 12222973.4 7230013.253 8623231.56 3386800.25 5500300.971 8866771.224 30503793.67 2824507.516 9091297.146 3163457.797 6054305.334 3688084.203 2172594.28 7339410.868 13389237.97 2687070.616 4454476.701 5275722.954 4371342.82 11734323.5 8663416.763 5242937.856 6778218.292 6912431.705 4626703.477 7162833.691 12439615.29 14717449.5 17951037.39 17593059.55 7985481.272 14902286.11 19704615.56 5754003.206 6968600.843 6188479.583 4611345.155 3625668.435 8141139.885 1638737.189 3804364.212 2217760.003 2014916.344 5699940.15 5306776.368 2902389.1 4110589.002 7258114.284 7780392.879 10155592.59 11530213.83 7022824.304 7182287.82 7038354.261 7043178.284 6820984.269 7344169.185 7234028.649 7133923.271 6859929.16 213.3471407 236.9773867 248.216058 1332.062824 226.6705556 244.8606621 TG(54:6)>TG(16:0_16:0_22:6)_feature6 1092771.509 559712.9067 1514222.556 3031089.686 1675546.762 2281858.319 605574.1033 1090704.789 1843300.556 6244524.451 671996.6983 2796183.893 840288.8037 1411736.236 925693.217 496265.258 2296165.145 3601652.292 606497.5466 829132.9604 1173986.958 1197129.295 2957216.654 2152487.666 1235304.247 1788293.18 2250959.782 1066379.849 2018763.88 3932712.873 3805404.414 3132580.794 3658368.99 1822179.657 3384244.394 4594028.558 1300358.875 1746886.991 1436688.871 1078914.751 727376.5027 2180761.408 224824.0887 872607.769 372332.9912 311998.7524 1266192.069 975208.7355 548649.723 776059.9269 1496166.046 1791223.131 2570499.056 2659154.48 1781874.217 1655168.484 1714545.998 1734473.48 1645965.567 1722482.85 1698729.161 1744209.632 1728217.255 188.1968064 210.4879496 207.6039203 198.8828473 199.7686507 217.2755527 TG(54:5)>TG(18:1_18:2_18:2)_and_TG(16:0_16:0_22:5)_and_TG(16:0_18:1_20:4)_M+NH3_feature5 8711878.288 4413399.374 6274024.39 15630101.06 9573520.689 11029065.66 4527762.602 7361541.083 9329731.602 26395395.35 4038348.572 12934027.23 4572713.102 8509101.996 5785920.441 2937948.529 10304874.15 16639481.68 3587485.307 5472900.42 6729825.843 5710967.567 14751744.34 11760739.69 6462090.082 8721368.923 9709805.203 6781040.251 10162261.03 10652866.11 17307896.48 22374897.07 24222111.4 10595273.55 19666635.62 23020207.52 7462936.627 10048802.77 7586240.495 6359866.788 5387600.782 11653461.92 2577487.808 5502283.574 3372649.846 2999729.227 7880553.901 7813394.471 3874146.997 6082924.048 8234250.551 8202092.024 12509238.98 12265250.92 9575714.521 8951897.508 8883292.207 8851592.001 9104662.636 9982054.607 9535138.348 9002944.822 8811214.18 211.6455188 237.0429111 271.6428419 215.9481858 234.4819626 259.2508864 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 45379942.36 26533671.46 60686183.15 138707544.5 88392844.52 102877487.6 34968099.56 42700217.5 82976715.45 228490223.9 19757159.64 77740540.19 25855829.46 37687221.23 23334923.65 15815232.82 68713824.85 105903116.7 24827269.02 19907737.2 49495458.41 45025452.71 129319495.9 90351274.33 48726022.2 54170714.7 61965395.66 39179977.69 64222642.51 100026829.6 110204341.8 204497487.6 171066618.9 86043851.49 142704303.1 138264818.3 85900701.75 69514244.77 51497074.37 47439675.26 20340594.83 75083092.7 6591679.28 28975189.54 14925128.14 9935433.195 51367976.57 39192452.11 22150164.94 29247853.53 83910744.09 92012930.58 108809302.3 113068397.3 74351357.6 74743922.97 74043020.76 70987190.25 73953454.07 71297471.84 72691073.78 76479408.56 74076905.56 627.5879327 937.4798537 868.6936952 753.2649678 810.3432739 841.7070986 TG(54:4)>TG(18:1_18:1_18:2)_feature4 69514879.46 43941357.43 65898801.81 152932346.7 83300964.87 149711511.3 55249821.4 71368514.32 93161292.78 195755901.1 37497109.69 125708502.6 43207892.85 63220315.82 39732262.66 31411404.87 94989653.97 158563154.4 42138091.66 36894345.87 61731755.93 62984414.75 124548832.1 114647612.3 67380866.64 87466053.99 79637491.12 61653886.58 94092343.8 142972090.2 117831504.2 194566451.6 164399766.9 121526042.5 184672356.1 110727227.3 122315159.5 108396442.6 53460769.39 79252462.29 38234699.57 112953043.9 12720908.53 47496915.69 26940750.64 20465461.33 79358347.63 62855131.47 32447899.91 51244418.87 84406969.73 95389380.19 136163604.7 116424710.9 100844537.7 105776453.1 107661998.9 107787175.8 108117421.2 99657461.67 115064391.2 112752321 92567889.44 2774.731462 4819.497073 5075.425488 3070.492871 7291.762542 7809.620682 TG(54:4)_M+NH3_feature6 2469914.838 1604641.103 1547941.299 2700764.831 2100503.455 1483514.131 1439535.137 2186914.383 2186882.405 3285321.199 1360158.421 1196167.064 1359511.154 2261889.339 2125841.922 1117937.6 1608920.445 2259825.514 1184099.352 1783377.501 1465425.651 1508069.294 2166119.594 2158274.951 1873499.28 2094872.673 1809101.543 1810265.745 1953152.025 1467346.999 1643722.075 2630221.117 2670319.517 2113411.137 1602072.757 3324622.069 1996464.302 2299224.326 1769357.686 1838696.311 1810295.749 2607421.653 1059316.986 1786117.956 1158012.655 1127966.954 1763514.366 2056067.963 1435319.743 1910696.808 1061404.964 1192051.367 1167398.657 2373755.64 1951107.991 1831652.409 1883458.693 1965664.774 1964140.68 1982172.256 2194272.815 1202556.591 2229821.189 169.5905507 177.3739896 184.7405502 215.8251779 191.693103 201.7767654 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature5 66336.38769 21904.99436 72420.48716 100889.2644 89377.97785 86398.63353 70053.82294 54067.94513 134582.5056 286723.0328 62040.51857 305800.9619 74818.95536 127580.218 28637.89044 39858.58517 397364.9012 425415.5758 71067.31514 37942.00227 47450.58076 48417.3115 152092.4786 162865.1818 32596.12467 157364.1793 206873.0654 74442.92128 108094.9227 408961.6831 109388.2275 189943.5889 227013.4457 53698.69496 207953.0703 106622.9782 91437.71228 120940.2162 78345.96502 29089.60879 48984.46804 194878.1981 29189.97074 47347.72376 29637.91502 24079.41925 225451.0596 139452.7927 26640.21434 60339.0259 63439.65834 92239.59115 203303.0164 121754.3139 112715.5166 129018.117 136001.2945 135175.1016 124078.8421 124225.9485 140759.0332 116908.175 120892.564 80.04966365 141.4458626 136.0114212 84.60278533 83.74255977 88.83078593 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)_feature8 19884453.78 12232245.48 22322870.31 53473228.51 35671458.77 37451620.57 19629344.98 19462709.6 34527701.85 97510045.47 13262485.93 44280984.51 16758036.31 33628830.95 12226076.56 10737557.71 67837399.81 80180714.91 15606645.96 11137547.55 20064680.45 16463633.29 50586111.22 40066141.85 19884223.7 27496532.24 34774779.36 20320001.87 50865115.62 86601267.54 48121622.08 80125937.18 75543748.92 32362421.81 58433971.54 43786133.58 35099188.77 36528114.45 21952274.85 21686033.14 11056820.93 43193243.17 4793331.735 18764696.83 8247390.015 6079876.763 44637563.83 31003533.35 14200173.4 19727834.94 30864327.05 27708059.15 36472449.33 36699502.78 35945055.77 38600916.3 33335633.58 32217098.36 34180205.1 31028036.89 42970237.14 36067949.36 32820920.91 765.1565174 3661.291551 2777.844371 647.7371239 2210.150367 2819.022499 TG(54:3)>TG(18:0_18:1_18:2)_and_TG(18:1/18:1/18:1)_and_TG(16:0_18:2_20:1)_M+NH3_feature9 36219473.65 24305001.17 55400632.18 102942282.1 66551546.89 83941074.55 23843802.72 36557531.62 58705554.57 167335558.9 18704702.89 71756118.18 19815718.66 19298137.68 22259384 14515740.82 39764333.09 63371766.72 20724540.65 20775788.34 38771524.96 31051165.58 86704878.35 61057593.5 37538691.25 48621696.21 54723856.55 31058837 32424611.16 51042489 1987901.536 141837623.5 117213753 64644810.96 93483030.5 120849271 62587208.33 51887373.48 43110710.62 40759949.67 19638491.6 55538141.81 6834284.794 23336154.98 14887574.67 10579138.53 26935961.09 28227660.55 21616007.77 27331831.68 57572478.66 65988596.64 78814797.56 83314989.86 58339234.73 57758414.45 58617583.35 55932847.26 58917006.96 60034623.81 54346556.59 56217310.53 60894920.75 1448.552133 2385.454045 1565.746511 2219.915257 1529.681685 1036.883168 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature4 24351700.72 16581662.65 35068480.91 69229576.76 42472418.88 58375491.66 19041563.02 24939228.07 40547503.42 96775293.33 13494905.2 57750225.56 14361198.51 21402038.02 14768260.39 10631894.18 41201981.71 61628743.82 13743755.49 13181357.38 23644122.24 19322068.34 59182291.03 39387636.71 25052868.75 35035263.58 39911621.91 20907494.39 30944931.34 53997023.02 64143902.46 101739607.5 88312098.22 41023724.3 67308891.03 86751750.37 41750613.54 37944441.78 30990315.41 27618128.38 13553266.61 41167984.09 5681039.529 17279470.87 10028932.41 7633549.081 25778123.65 22177242.97 15533332.15 18294977.42 36200871.84 36805563.72 52173274.57 55590963.66 38856241.06 39995828.34 37295266.97 37840211.84 38531221.99 37509543.1 40612445.12 38802872.27 38107129.08 1677.207964 2047.183101 1991.624874 2280.054135 1588.407816 2676.490981 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH3_feature1 5976942.848 4632778.254 8879163.289 15388173.12 11223947.61 12788012.55 4393734.524 5341696.598 7160188.329 17501587.59 3307899.942 10357473.36 4101905.049 5141103.708 4539662.126 3166495.484 11501030.18 11700484.84 3924711.242 3764598.194 5991105.319 5621587.614 14268997.56 8330130.63 6235176.822 9339610.058 9114213.949 5458617.531 7716669.243 14527706.84 16449519.94 20742768.24 13531923.3 9606904.999 13973593.18 19605308.64 10272679.19 7920352.553 7996020.335 6058065.033 3445193.7 9382557.255 1399563.976 4427494.122 3200870.049 2089156.103 6414116.919 4794508.523 3712162.692 4787885.477 9120143.763 9829888.276 12306176.81 12354114.47 9231726.5 9262338.725 9922538.742 8836810.913 9214389.985 8972791.877 9445270.384 9233598.87 9492075.864 418.7129994 429.3346311 432.822405 416.9807842 413.3229453 445.0405273 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+NH16_feature4 3336163.15 2303805.872 5742986.12 12552100.44 6563447.498 9684651.162 2521799.812 3494953.017 5787555.673 26550647.47 1713362.745 9398056.944 1832193.782 2526650.986 2067660.203 1293353.897 5774147.06 8984335.012 1626387.726 1534230.446 3185993.126 2696403.938 10127547.36 6089106.315 3598621.736 5151197.412 6007957.377 2589578.526 3671605.256 8296660.487 12374585.41 19473285.93 17299570.13 6292526.403 11268771.15 17300918.04 6022984.08 5707981.077 4768108.444 3991059.918 1683458.446 5658622.002 621774.8758 1990351.413 1276056.296 868192.2967 3114298.445 2330566.368 1855991.877 2205634.359 4966561.43 5259610.644 8509689.944 9216879.387 5850997.792 5907102.686 5789811.813 5625591.446 5514160.026 5686438.229 5934034.997 5797598.987 5859366.43 613.8242207 398.3949754 172.2559708 708.2654669 273.3508182 742.6699944 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature2 50798.12929 24795.2639 42348.49996 140820.7602 57889.29813 70045.77249 28174.70887 50196.00797 93606.00883 156208.5406 11846.08946 92788.57515 17672.48603 49647.0626 27592.67626 11369.55978 79217.43411 152155.7996 11414.49433 19488.69891 51420.97348 55445.39022 173962.145 110380.0252 56385.20926 38927.68247 72362.78737 44045.0494 76762.75283 140229.4755 187458.3873 240202.5352 148474.6268 101172.661 177242.6552 183482.9033 68163.68704 71968.17253 65265.67311 47128.56044 23392.1856 84584.46766 8990.493774 30849.28173 11438.87522 9098.588527 51539.15538 41387.45755 21263.44677 17612.46636 100916.6954 122107.806 138739.6984 183081.6469 75206.02262 71966.73215 73381.90916 72093.05165 74989.40502 94568.25896 91086.7455 48883.77315 73287.61922 218.6946143 243.8562154 229.066709 291.0583847 290.0044726 319.5537241 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature1 27234.76465 9232.376503 39956.89607 101421.7234 57239.00041 79233.27331 11939.80993 22722.93287 64074.62268 499302.8864 11149.65249 71425.72156 15407.12614 32047.92082 11516.8529 7154.265751 64464.05702 101600.3204 11949.67804 9666.776758 32894.21137 24299.14248 178885.0058 70443.41253 34153.42001 42528.39121 54441.34758 19773.37541 56709.75975 98072.67149 152112.5703 278054.674 106052.909 44856.45323 132064.0122 124474.9528 40822.46378 39827.21063 23967.76124 18365.18469 7688.212201 57479.58004 2629.702189 14649.0672 5945.23505 4175.438533 31887.3111 20022.09781 7982.525078 15965.23583 51092.55546 62483.09695 99265.69085 109443.8581 46203.43274 43129.35241 48883.2141 45685.95848 40686.71247 35954.4796 39258.46185 59091.97097 43081.8734 372.5390551 461.423759 447.223952 425.5671603 484.4283761 529.6980815 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature1 256061.1627 107778.4462 335479.7108 1285885.669 728261.0565 826176.7241 140999.2659 261451.8239 681521.4076 4161205.066 98867.93417 807250.4324 125597.7328 269620.0036 116665.6159 49304.08278 574974.6111 1440180.898 122351.8728 109896.1368 292139.6143 263931.0282 1518432.468 787625.6288 304263.0204 418022.9009 494289.3825 245375.4048 563483.2751 1140597.264 1368254.683 2949903.617 2529281.504 807078.7736 1791238.189 1809512.215 674186.7964 515538.4785 391357.2095 259995.0242 110966.446 683862.7847 23600.47709 159865.7059 62035.03428 23157.82863 351980.0682 243416.9792 120850.1877 161065.5495 681174.7423 832002.5322 1093089.79 1326249.687 555598.5697 542611.276 558378.8666 552451.2402 495192.2274 558806.0254 571079.0128 573969.1648 523129.2564 246.7888958 263.3028967 258.7331964 284.2154033 284.7048946 307.5845033 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature3 788597.8096 519522.9844 1351736.096 2921100.459 1635886.406 2368898.128 481098.0952 727391.3894 1469839.521 6213585.278 312832.2209 1509175.468 428548.016 514466.1383 501200.9452 252641.8413 1079137.122 2238421.727 248103.526 345282.4718 898518.5844 1042042.801 2965135.641 1587273.053 839136.5035 868120.9788 1231666.898 602439.3036 964334.2596 1896913.091 2669533.98 6347646.156 4245014.084 1894783.155 1732759.224 2024817.021 1570055.622 1194719.796 1021834.872 769782.0835 339693.1829 1331884.442 132471.6166 522470.2577 212034.3797 169793.6103 803511.2358 580016.5379 332798.4062 463013.0256 1999622.471 1715021.419 2472921.412 2585156.245 1481475.619 1311102.914 1176554.443 1139131.695 1321837.968 1311553.086 1373128.11 1273343.388 1363479.546 188.8891933 207.1010903 204.3260111 198.8589072 195.4828597 223.7875023 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature2 902153.162 802280.4783 2216839.951 3114536.138 1869244.165 2228917.594 509515.7748 821088.7114 1843513.507 9777683.828 329083.7049 2219667.063 431399.4913 743102.0165 700179.7121 229063.2247 1844388.533 4683341.978 514375.7825 300521.5594 864210.1592 1498807.791 3306346.548 2094069.963 918804.4863 1148956.662 1452076.14 775402.465 1572214.798 3000887.359 2841418.951 6569050.295 5883366.081 1858442.554 4995191.141 3951253.221 1700908.034 1515880.569 975543.9425 943926.9607 322317.3734 1963470.955 71009.69762 516578.4589 206584.6069 123632.59 1207819.742 1432919.83 321669.5314 526466.1185 3393043.053 1936292.525 2785078.126 2446420.029 1528215.398 1594084.761 1723614.884 1566761.88 1646557.529 1661799.509 1573646.973 1679564.222 1516083.566 235.9856042 245.5475441 287.089625 213.1598446 235.7447842 241.2759461 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)_feature5 2036891.459 983921.5467 2913224.218 8085109.608 4416980.567 5883858.784 1144454.026 1893435.801 4003354.837 22547764.21 927919.628 4712061.596 1246962.705 2051807.402 847478.1526 730868.4451 4973250.706 6792575.573 1126134.382 726762.3468 1976495.521 1502930.378 8289520.322 4747557.221 1973108.861 2527471.94 4214461.701 1680263.887 4068335.389 6638809.744 7931574.709 17249761.99 13908254.14 4403128.007 8697698.064 10075478.96 4312941.165 3600138.843 2523653.345 2177386.723 775938.4182 3997630.991 235509.8539 1270082.377 517405.5733 324977.2363 2279207.932 2452391.394 908767.2886 1325460.723 3663160.198 3643679.84 5956756.561 5872562.904 3853233.503 3766678.483 3788589.74 3604878.067 3515932.163 3567942.236 3539368.967 4685274.182 3323453.777 688.0356054 707.7695081 704.6041041 625.6247799 632.5797063 649.4697549 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature4 582853.4626 253141.4474 860808.0633 1731796.697 1265707.733 1392912.216 414432.535 589469.2789 1200338.887 4989099.358 244556.8016 1494117.479 377942.1564 632571.623 250786.5266 218584.8683 1523553.614 2083200.06 360701.8344 237819.4519 583797.7374 509777.1393 2455716.982 1239471.97 578144.0334 830355.0182 1140381.101 483224.7331 1228031.021 1897744.047 7896635.346 3591090.437 2984384.494 1186884.049 2369373.117 1991434.301 1100192.989 1047155.66 761549.4601 636184.9427 209923.8839 1124951.861 41171.81128 403024.6334 99343.83389 93911.99346 1052821.612 894318.7619 267823.1665 424656.5323 666813.8211 1045735.896 1542396.241 1464742.881 1214913.613 1097901.862 1096617.285 993271.8054 1067633.485 1027472.41 1098770.795 1339804.962 1022552.983 188.1729339 189.1085274 185.9271823 164.1820807 161.3536698 164.0231454 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 215585.5893 122705.0946 258484.5186 305303.5625 233932.7887 348899.9005 39791.63155 163069.7135 18680.22416 568378.5895 20218.72699 258148.3448 105681.1579 178460.6268 134989.7164 93099.55299 254447.2644 340534.9253 33131.89431 121395.8348 169443.4096 192884.2623 345875.9994 274378.6972 206995.923 247800.7917 252636.2524 148350.1962 304542.9048 365523.3232 422023.5131 266089.659 486915.5393 225790.4538 351743.3622 437611.8844 150613.0162 240783.2914 245905.7078 120312.6008 101960.1607 240352.5047 15824.90906 129154.4358 69736.02896 28425.8118 202122.3364 71279.16992 47994.06092 130982.3556 282265.5678 276058.7676 321324.6419 342042.5982 193854.1306 198588.1984 249676.9072 207694.5445 268431.3157 264480.3224 212135.9041 140160.133 230750.4781 399.3388701 777.4258846 589.6640908 670.8024081 505.2322877 591.3150724 TG(53:2)_M+NH3_feature3 143333.7783 85104.28691 204238.3701 501026.825 354766.2011 409233.3696 132524.6596 116556.7702 318917.4396 1516237.809 68017.23698 413409.1644 81829.0911 119251.7128 73071.922 47011.68078 230460.9869 58299.63378 80568.98751 71814.54998 142706.5752 123389.1363 49078.92137 44214.73875 162550.5845 204312.3756 242889.3381 119499.7772 225521.7312 459087.2741 520802.1997 800826.8919 751628.9092 41056.25204 606881.2569 543965.1186 347218.5141 282968.7413 193174.5555 187947.7762 63800.23031 273609.6039 24369.78121 103991.1198 46375.58646 43882.16106 209542.9463 159615.7906 76831.09109 108121.6466 246136.5089 253180.597 250467.9307 376127.1022 273909.0097 296199.7444 312829.4833 277373.3777 308509.2007 310072.0921 260861.4147 264015.0506 318653.9755 211.343533 229.4314732 221.715168 215.7488087 212.6040607 225.5451227 TG(53:2)_M+NH3_feature4 1543462.859 742065.6004 2036065.088 6743821.494 3477848.165 4722846.329 876801.4562 1080929.838 3125999.638 19924668.89 503077.3689 4061974.851 688154.0394 1146498.954 718330.7873 343451.029 2381291.72 5372760.64 608520.9677 522406.4362 1425022.815 989856.286 5562422.889 3344789.287 1589073.709 1919621.209 2736082.206 1235595.948 2166331.557 5137669.752 5630898.154 12824754.36 11395089.84 3232158.403 7206539.424 7995398.236 3612885.389 2709589.986 2271011.912 1900459.666 648008.6081 3057235.421 188843.2734 1002845.95 380658.1361 273297.9268 1649736.201 1407602.796 756852.1459 1079283.432 2241594.129 2465909.271 3091590.301 4089535.864 2920051.31 2972109.973 2962854.457 2794469.078 2977205.598 2997017.237 3012891.173 2911586.999 2878737.308 241.2754537 259.2726961 264.6625551 248.004939 246.5760409 260.5219824 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature4 616147.1983 352707.2307 1032454.442 2651626.972 1444343.496 2074272.191 466305.977 573560.3115 1201344.939 6405316.023 204832.5781 1535632.474 303585.977 498966.9974 385483.1202 204926.276 1026439.378 1593376.581 258146.8013 299049.2571 679018.8122 475826.8412 2374223.403 1290829.61 696977.1352 996383.2337 1131446.072 527407.7716 817681.663 1922991.631 2817119.756 4672902.253 4022483.741 1523169.191 2500610.96 3604859.691 1489101.308 1184194.309 931754.5505 839958.7843 309632.187 1115260.86 102013.3319 390566.582 169255.0035 119128.0173 639590.9725 547662.4162 403306.7823 465681.7903 906863.9252 934584.5425 1415457.363 1823364.915 1108949.671 1062509.751 1040681.08 974153.1675 1196873.819 1046876.334 1100612.046 1077795.408 1041586.264 188.1944298 208.8160761 207.0151742 204.2022251 252.7716689 220.9991532 TG(52:7)_M+NH3_feature2 24634.79358 17050.92813 46368.57379 78432.04895 44402.42785 48937.54036 16745.11505 25279.39598 53558.7794 367257.6982 22767.89292 77782.18276 25414.85665 58046.53949 25872.47648 22207.59738 78403.44262 111351.324 18569.08879 25903.07997 34344.06322 35642.92829 118890.7376 69560.90964 24279.10958 56136.62314 61974.35333 29023.27669 77887.33531 158258.4946 119595.5416 106547.6434 128088.1474 39920.22259 88748.9724 142361.7248 14798.58263 26831.04374 43986.92822 22639.41775 25558.45445 54293.06264 8792.691758 20205.95285 12789.81871 9220.495638 40482.87294 35614.12797 17933.74808 21481.90305 38723.96725 58578.52732 83182.56211 96832.12136 48418.33364 31175.61071 47570.90035 45995.41243 46769.83899 44959.81905 48878.47139 52535.29284 29680.43199 422.1549357 600.7534044 638.5594064 373.6670592 477.7686007 777.6876057 TG(52:6)>TG(16:1_18:2_18:3)_and_TG(16:2_18:2_18:2)_M+NH3_feature3 148497.8358 70406.07397 122180.1812 660350.7875 382691.3793 490848.454 94897.57092 166010.3646 444345.2119 3392118.14 52428.98064 660781.6998 146850.7345 251665.8231 89921.66272 72993.97354 507078.1007 941810.334 114581.7661 98651.14707 274465.7453 225600.4791 1213731.928 673570.0441 229500.2886 158420.5391 465340.1006 117920.982 510978.3739 1138777.836 676453.4935 1608796.099 1367302.774 402796.4338 942961.777 883863.1097 302107.6023 269673.7459 181387.3958 89775.99929 93355.39313 491981.9954 25789.19497 111250.0308 43483.14782 38295.52404 262370.4987 161957.306 65958.03493 107587.3715 459583.3367 567354.0069 688222.031 842394.5395 319224.7229 344442.5678 361399.4525 313885.1573 331900.4564 356941.1876 376503.248 414188.7238 236530.0038 216.4471863 276.0038832 297.0704496 272.7365731 294.6753542 381.2938849 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature4 2232136.864 937125.2669 2479857.536 7663416.745 3987784.884 4802874.387 1692009.051 2644229.433 6892073.61 41584983.78 1817138.668 8890063.49 2695674.496 4812650.071 1143305.735 769642.7167 10347069.71 21041796.17 1811922.847 1795990.854 2920523.626 2265828.398 10652402.14 7217849.288 2340055.771 6245050.501 7701988.413 2393764.421 7012559.707 18850022.37 6842394.846 17497509.76 26317165.55 4181179.9 17084729.97 11161131.77 3734869.225 4256269.314 2100521.783 1894099.457 1114033.387 7851234.934 396579.5556 1858319.546 764207.346 412274.2925 5938560.219 5062874.172 914485.79 2639965.985 5515051.75 4326840.592 8822017.072 7357279.693 5673142.345 5007684.211 5094881.146 4251941.313 3919767.5 6807491.345 4709822.018 3617636.215 6079761.383 266.883947 308.7895708 282.2337518 200.0824414 196.7498475 226.3073548 TG(52:5)>TG(16:0_18:2_18:3)_M+NH3_feature5 2939648.68 1201298.082 5675650.948 12911872.08 7071200.501 11457703.08 2081926.801 3123681.39 8699150.353 29227831.92 1337310.941 7048049.189 1717286.261 2071157.243 1912039.334 1281329.541 3805954.874 11692369.78 1271731.296 903234.9993 4832468.703 4012306.189 13833183.2 9768501.33 5573853.411 4178105.899 5011482.108 3269229.705 6248242.392 10008927.59 15538720.33 22623839.74 15991593.89 8656959.5 11771083.67 17777018.34 5888956.746 5261325.924 3981809.309 3636558.862 1967909.636 5839251.532 377232.7974 1390825.466 897895.7474 603731.0961 2990526.343 1732409.887 1352570.207 1725920.447 7235859.761 10309823.92 9844953.804 13797442.74 5509902.359 6124451.132 6822705.959 6837566.417 7112606.949 3782540.915 6535282.223 7693115.042 5197202.892 197.5345644 220.4692882 226.4448855 263.2817074 295.3822232 352.5684669 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature5 43823429.18 26821057.68 56998181.35 120773245.4 80317731.62 92914960.55 33081223.61 44075148.18 85228246.31 240729733.7 22990104.6 17529809.63 29530203.4 10397494.51 23235231.72 19246473.73 15476216.46 119356865.1 27472082.15 21939536.11 49430374.44 42874131.04 122179781.2 93012164.61 52181235.93 53092153.69 70647335.84 38169600.79 13434220.3 23485523.5 130989940.1 185094079.2 162424107.7 84200001.32 150281611 138939513.7 83072803.65 70850877.71 53185973.53 50022862.47 25396515.9 14594065.67 6958168.734 29858686.62 15399435.01 10493751.2 54583194.09 45748304.89 24035428.97 31786126.21 73219993.44 82342323.83 99501056.14 104304927.8 80789428.8 73160272.47 73540798.13 75537367.9 85475130.11 71503833.98 71954728.44 85912155.82 73116776.99 720.5001126 792.2074529 1219.772328 611.46822 739.0896526 778.6410088 TG(52:4)>TG(16:0_16:0_20:4)_and_TG(16:1_18:1_18:2)_and_TG(16:0_18:1_18:2)_M+NH3_feature6 4028758.229 2044417.779 2428024.188 4719334.206 3148419.116 3612613.167 2043836.695 3515889.65 3798587.056 9288990.272 1826616.227 3541200.611 1858080.288 3941757.046 3061120.134 1507996.243 2907605.31 5134708.252 1540917.859 2247642.349 2150792.206 2011754.688 4034370.149 4246897.198 2492416.944 3012018.049 2930877.154 2327974.077 3402122.512 2714593.524 4835903.721 5344811.145 5903075.247 3413385.199 4992935.766 5483251.821 2847603.987 3571445.865 2469451.135 2515915.372 2349482.977 3528724.415 1228909.124 2814561.772 1352010.14 1335462.967 2544613.432 2929798.339 1558901.946 2474361.349 2294259.659 2499195.618 3393069.023 3566248.801 2975511.537 3024634.104 3125932.575 2905573.015 3298617.073 3180977.32 2953969.046 3187617.315 2858950.166 198.8203478 217.7557772 226.9902777 201.5581865 204.7990921 226.6706043 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature2 6311928.216 3107388.589 5771877.993 12237228.02 7240850.447 8639413.228 3392255.57 5509273.448 8883759.944 30559369.99 2847028.562 9217941.302 3202560.496 6149150.424 3713918.91 2203652.978 7444110.697 13464136.74 2724422.125 4455893.838 5277369.215 4393677.091 11738965.46 8678861.214 5253728.146 6817809.404 7053408.127 4639275.926 7189860.027 12728701.99 14743943.15 17956360.14 17617760.36 8000435.262 14936699.65 19736684.98 5767508.526 6987493.547 6232475.833 4625514.845 3662196.921 8170309.39 1643140.086 3805153.279 2241731.1 2019229.822 5728988.597 5406381.971 2922230.187 4145421.644 7255985.274 7803837.251 10209362.98 11588502.92 7058194.722 7217036.746 7034801.363 7072477.078 6841886.227 7384727.675 7240979.027 7166753.86 6889706.127 2507.302271 358.3276349 368.937604 686.3998976 349.8106374 409.3402125 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature4 93125384.95 55456418.36 105731072.5 195690327.2 141011884.9 163873619.7 73272271.14 2619388.365 126035586 376578248.4 54771409.52 20322085.28 62134521.44 45334029.26 53028111.65 43935111.28 138888407.7 206325284.1 58598038.92 52418578.45 98431460.1 79108375.19 200169260.9 147020987.8 100251375 110500825.7 141124739.5 84181794.8 121279639.4 12471641.94 192390089.9 253089625.9 265401125.4 150077003.2 220090203.6 230510256.4 141753040 145094930.4 106577000.8 100338917.3 2188834.813 137905029.4 20115613.47 60478231.94 36244439.82 28500366.76 104794576.3 98323261.84 52525139.46 64673349.56 128494855.6 133393648.4 171096270.2 84759911.74 139980487.8 142555652.9 140138783.9 138780505.6 139369234 136222227 139965630.7 143961534.2 140124994.2 896.8659901 3263.844057 3039.454697 1503.271525 3438.013114 3431.176645 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature6 14361940.12 7087495.448 25990596.32 33540145.31 37653994.12 24500448.67 11559339.91 17326521.63 38851798.95 76406592.09 1047240.651 19988966.81 1089243.93 1245172.884 1087730.854 8521191.706 667132.3709 37431255.9 727934.9565 357401.4333 21352071.68 13282880.66 41843567.43 43465888.22 16922986.76 34052605.81 22891064.74 6567389.967 2052258.722 2468160.072 44178437.93 80245915.85 52979172.35 22723361.34 34851071.88 66862399.57 22345712.53 3288294.204 22948475.55 16742383.73 10779625.41 22803149.38 4132631.103 9327091.557 7735474.614 5721738.145 477228.5006 2592584.558 759105.8623 1235682.644 24300463.23 29342800.95 38318156.33 29597164.66 28481107.13 24366333.15 15694507.94 21541122.98 23448766.74 19050376.13 29702247.91 22749335.52 22188482.97 417.5300123 307.6477515 504.4572915 799.869663 575.2232763 468.9103639 TG(52:2)>TG(16:0_18:1_18:1)_M+NH3_feature3 14612.80539 11778.5976 24342.64791 31473.62315 26706.04385 38647.5628 13539.0312 20324.56978 28897.33426 19320.79933 17496.99199 32736.95912 29689.1502 52349.24206 14691.69638 16771.01129 43990.0881 33305.63782 20605.29062 20358.1931 18413.61242 18357.98371 24737.07193 33343.91511 25171.81838 34858.68796 39780.92664 23312.11385 35146.6897 39455.93248 42257.71664 34091.04231 28197.58495 32206.8593 52754.4777 42272.44461 29120.03301 35778.33912 21005.08396 20807.26598 22913.00959 30509.39232 8394.055846 19746.23883 11014.38429 7494.313516 28604.02355 34864.0468 17396.1923 17599.73038 34791.56342 39015.90572 50200.06567 61069.28663 43677.55854 45252.94818 29031.5719 37200.37296 35842.55598 41043.39129 43999.47674 39140.79302 41870.98213 336.6696635 440.1047965 460.7982767 546.6669595 635.1082797 728.1200491 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature5 58177385.47 34359830.84 66638919.31 137225029 75152714.32 98735991.05 43545307.51 57742606.19 78950991.89 249623810.5 42477553.52 137956598.4 47392213.8 76411536.04 43855560.62 24343788.36 126065668.2 140477504.3 47905895.58 45404109.88 54182395.85 39699035.75 121909187.5 87260844.31 57358560.82 54309646.28 88892146.07 56818858.49 90340903.5 164210124.5 117165702.4 160399129.8 170597368 97394011.97 155602746.5 124759994.8 83916082.89 106975176.2 50828242.6 59663791.23 30724586.59 93421059.25 16117128.37 42468419.2 21481120.17 15686307.64 88833719.53 79704080.33 39843524.91 53527140.88 71488455.56 67011036.71 96761747.37 104273420 90278625.46 91870356.24 75258231.18 89047570.76 80295631.6 91883323.21 83535218.38 87161856.4 89229581.29 1960.530648 3769.363519 3684.572561 1757.513872 3399.168691 5413.315981 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_feature3 19343254.94 12348228.56 24517324.58 43213448.88 30039319.21 39256330.1 15219571.76 20758768.54 31666577.83 79871511.19 10696714.33 46918355.45 11586552.93 18525135.78 11581775.58 8496361.785 26943573.66 45678929.6 10804133.19 11178024.13 19114259.2 14340598.32 45165446.46 33524893.31 20538926.81 26746142.72 32790946.2 16269865.14 23612259.53 41483636.12 48392300.12 58948397.08 58016415.82 33145574.89 53003868.34 53960754.99 32163643.4 31508031.09 23676503.85 22719507.83 11487987.74 32508776.6 4811235.462 13968662.96 7600230.442 5958394.983 20248132.27 18494438.43 11610001.62 14435064.68 25285474.63 27096650.76 37341546.25 42372016.59 29033725.45 31821151.74 28948948.42 29166461.52 30902970.99 28767469.26 29906025.72 30674225.5 29653964.77 2773.387547 2699.033038 2541.884325 3589.920825 2875.779838 2985.241732 TG(52:1)_M+NH3_feature1 16636.78169 12183.89924 19286.41852 22975.99287 21253.62735 24805.99291 14602.21573 25724.93931 28199.70549 28744.33722 23480.98573 50442.82875 26908.36921 49320.28931 14521.71774 18506.40979 43789.95737 42308.34936 23255.73259 20871.90921 18063.56126 13385.60367 25592.17251 31298.36822 21394.21068 33370.88171 41345.50584 22520.4301 31466.78886 47926.51976 37865.88405 25658.93092 36304.71928 32326.01884 35934.16581 32633.14 22986.5182 30594.29635 22306.81825 18457.40171 20998.64642 33838.28842 13988.38945 21573.22272 12096.75572 11896.99755 32367.99927 28087.74031 18506.58326 18536.66412 26657.7522 29972.24818 40424.47153 37036.3019 36021.36219 30738.71179 25634.89917 24063.08058 28257.03271 27611.5866 32179.70938 30912.14338 35384.58942 88.19939615 89.23764449 93.7912831 162.129925 162.1634773 173.8379541 TG(52:1)_M+NH3_feature2 68348073.46 42940814.29 64337020.06 150951635.5 81051181.08 147612931.2 53565910.92 70052758.97 91434482.18 194090666.3 36105083.77 124478132 41863634.29 61860131.36 38482815.75 30245357.09 93537125.83 156954959.8 41104725.2 35695972.15 60110013.88 61292156.77 122505995.3 112854165.2 65780738.64 85972287.64 78241914.9 59978665.64 92395186.89 141486683.7 116266142.7 192218116.8 162764397.8 119914190.1 182938590.1 109113294.4 120402905.3 106806613.2 52078187.87 77448852.46 37225761.71 111508686.1 12156471.14 45990713.65 25893088.69 19185178.36 77813445.72 61337579.4 31207799.16 49735348.53 82627583.26 93876415.41 134391954 114508450.4 99184313.16 104212768.3 105977695.7 106005121.2 107100151.3 97792637.6 113518714.7 110902610.6 91043380.47 684.5117838 1730.318623 2010.020162 1285.671554 2495.947671 2820.563244 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 1219051.009 913675.8264 1618278.827 3528385.84 1726382.347 2662616.072 935563.1359 1270425.94 1719451.645 1527797.488 593758.4379 2263810.848 678451.4981 1003581.011 1017311.873 506836.4994 1572974.253 2573372.964 590448.5108 685602.241 938121.9414 965760.6373 2970893.002 1776710.995 1252809.292 1637140.81 1883324.188 958577.9791 1253239.054 2394491.055 3624482.196 3768934.445 3567910.038 1986044.847 3217920.895 5200192.066 1787403.502 1948566.109 1464892.494 1390126.803 802496.8365 1772276.904 333301.6091 733435.972 498194.6272 399847.8499 1011454.883 903772.6411 672327.1602 804575.6818 1625722.188 1684341.974 2581432.012 2766125.49 1718625.812 1783525.497 1737403.838 1551606.517 1632375.697 1685901.683 1763581.345 1681397.068 1756785.468 3444.113541 5924.663752 5469.246336 3616.149046 6295.42278 6404.140836 TG(51:5)>TG(15:0_18:2_18:3)_and_TG(15:1_18:2_18:2)_M+NH3_feature2 27798.66194 18026.34965 55921.69443 107148.706 79974.83758 120110.3148 11119.42787 36167.43308 83538.08757 830978.4261 18971.09499 105395.9564 24806.20296 45135.33392 18723.54946 14782.80527 98880.78251 135720.459 20010.97462 19825.49817 47568.12072 44806.85991 241792.6811 95221.72371 39854.36295 52399.05747 85343.14513 35143.84003 73501.88369 191878.576 119670.8378 444465.3833 352576.9749 84639.27739 216741.4817 261656.7417 60769.90441 56042.65017 40315.10962 27885.95686 17807.45771 88628.66909 4500.773634 23617.5361 8296.619029 6101.000052 51514.12762 35376.61711 18969.78246 18953.07957 88498.26275 89717.67742 120175.5312 159166.9867 76456.08324 53142.68207 60878.21346 57101.50052 62260.76903 52244.1614 65935.27489 66809.89834 65243.16563 247.638827 306.6081947 297.0604222 264.7658541 309.3979255 338.0876398 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)_M+NH3_feature1 489789.0263 194538.418 670543.0038 1945927.873 1058851.228 1584589.815 267412.8413 428927.6882 1065370.632 6655744.556 149909.6767 1277974.821 235772.0583 453226.0422 168639.7207 130287.31 1051850.383 2021743.742 206306.7211 179366.8171 520172.8354 452298.3848 2359558.562 1289157.019 548669.0928 608609.4743 915527.4345 387909.5414 868560.0325 1931598.016 2025008.108 4873976.037 4065940.992 1219802.779 2669218.097 2700161.053 1036082.059 840318.7831 596448.4412 452375.9267 174995.5196 952726.3281 38312.84534 257224.842 94247.63478 60092.62715 599926.8386 480234.5062 177513.1665 234845.3581 1158596.774 1339578.037 1860713.172 1995497.112 856490.6247 831182.6409 862691.0812 869181.4481 844040.9292 867231.6104 885555.4315 854567.7728 820622.6886 356.2707858 350.278544 287.5530203 289.7263095 289.9282635 312.9063618 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 2051931.36 920449.7788 2622494.312 6788952.509 4370742.052 5249814.152 1322229.129 2047758.875 4413041.191 21736168.42 875135.8077 5214138.621 1273408.19 1971630.051 884181.959 695852.7865 3869041.267 7806248.146 1166197.593 889031.2079 2194548.227 1654645.446 7959164.58 5029606.854 2295321.34 2483344.475 3470343.251 1814214.109 3366617.332 6305727.065 6956320.37 14796529.93 12584465.7 4702854.95 9290037.275 8368225.254 4177732.672 3913379.235 2348840.307 2106344.082 879007.2998 4149431.254 256318.3092 1367547.626 532794.4493 363741.6077 2726343.411 2081884.518 886564.9932 1225208.06 3756859.641 4262250.771 5814633.121 6106497.127 3658891.797 4070257.041 3667417.398 3496282.858 3777690.409 3819711.083 3724151.517 3767881.082 3797481.684 992.4305222 1007.111121 1087.796862 1032.240319 992.9293742 1122.867465 TG(51:2)>TG(15:0_18:1_18:1)_and_TG(16:0_17:1_18:1)_and_TG(16:1_17:0_18:1)_M+NH3_feature2 1944239.495 767502.6909 2180283.408 6845269.836 3887782.705 4367503.53 961414.0615 1959482.409 4243717.883 15811271.96 684173.0782 4517943.171 1344683.916 1737632.69 740134.829 476070.5779 4976305.618 6431670.758 1042536.859 742649.9575 1849275.918 1297930.606 4946569.934 3844703.893 1896347.549 2375595.284 3436248.701 1379259.902 3510724.043 5551368.737 4604307.696 6157478.697 8227154.385 3201467.824 7193414.817 5745758.687 2504651.74 3549015.99 2491638.85 2107395.151 661972.7465 3374465.419 301568.7146 1270498.225 490788.5863 257627.4456 3176829.426 1818865.385 663133.6461 1122361.686 2311706.722 2534151.162 4053665.664 5313253.759 3208161.332 3759885.756 3058586.383 3009185.819 2996519.697 3627831.655 3468432.509 2966072.446 3434225.878 264.815702 270.0766476 268.9425799 240.8381645 240.5897494 257.2035042 LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature3 995712.3898 465732.799 1357855.161 3991983.238 2153328.87 2655650.348 605397.9784 920089.9951 2114856.587 13156630.9 314173.696 2521320.447 438556.7938 776735.6624 467405.2021 162749.6045 1652089.732 3369523.209 395403.5901 413063.3235 950782.9535 654705.2671 3755960.244 2446346.667 950325.9443 1261221.041 1634640.323 811234.282 1368909.66 3125004.136 3646182.572 7883584.695 7121339.835 2297420.082 4402436.239 5343652.204 2009748.013 1968132.997 1350522.852 1164119.963 440218.9912 1933724.645 139699.8103 388019.5635 263619.8255 189659.0643 1100089.302 960116.2108 451199.8199 666057.3745 1389896.097 1307873.517 2346737.188 2485754.711 1751617.675 1821950.969 1997590.794 1761932.639 1859738.118 1861676.753 1811252.421 1763647.199 1869552.332 220.8128361 224.8145715 225.891191 203.1126386 215.7373292 223.1824666 TG(51:0)>TG(16:0_17:0_18:0)_and_TG(16:0_16:0_19:0)_and_TG(15:0_17:0_19:0) M + NH3_feature1 85739.61822 36311.14557 124667.1112 393872.1245 215285.2229 291018.2021 48290.40478 83845.67823 210963.541 1533731.083 26376.84672 259482.8037 37553.93863 76083.54633 37127.12979 22342.12783 156455.4365 333925.1447 30196.31275 33631.59677 81758.79557 53093.88077 388917.4088 239372.2799 84922.36497 113755.3168 157593.6476 70639.7843 126370.7061 304220.8009 390666.7758 861217.7691 777201.041 232664.1948 498279.8435 583974.3646 213535.6185 197476.1466 128203.7116 110961.3899 37227.16108 195991.7096 11713.59172 59544.3686 20854.10231 15850.11598 97104.64984 89505.1366 39901.2147 58091.64943 116128.5626 132618.1776 216516.7105 259400.4161 166584.4667 188011.6664 190574.0583 174953.0635 184166.0356 184755.5109 178002.6147 172715.2203 182509.1039 197.4788759 201.2174538 202.3417068 192.7166581 193.4379143 212.1103726 TG(51:0)>TG(16:0_17:0_18:0)_and_TG(16:0_16:0_19:0)_and_TG(15:0_17:0_19:0) M + NH3_feature2 168249.7387 106594.9602 255904.6899 520314.9826 285826.1441 449653.2424 112001.3757 152005.29 267073.4811 329305.0858 52347.02551 243872.8817 94350.65723 134876.2089 136893.9972 55229.28305 234165.5075 373696.4019 64869.60305 88323.33616 131004.2034 120572.8298 568927.1565 304417.066 185717.0306 185892.2431 237501.1098 148824.132 200215.7752 416443.9488 689294.5347 771463.7258 682978.7252 346202.8641 588426.8043 760366.6306 335489.7171 372017.2621 252008.1464 212393.7561 105243.4126 281195.1852 29460.57395 130476.817 59124.96975 42228.64276 152451.9399 153367.8615 95304.46261 116913.2902 219658.8774 226379.7474 289953.8159 479840.4754 240960.4038 232578.4109 235575.5986 259931.7411 220005.2969 251906.6891 253405.8646 236520.6058 227799.8084 166.6428544 230.6658263 223.4501627 202.9156539 204.5615121 226.6486669 TG(50:5)_M+NH3_feature2 139941.8737 54855.90878 253153.2237 555947.0981 285468.9382 384461.2123 95235.33816 120089.7044 398077.0884 3138196.636 103608.269 811227.5568 133188.9439 327128.4643 95377.95635 77939.43948 620715.0937 1163009.182 121979.8185 100611.4789 152284.9457 193744.3305 1033479.097 590311.8004 197604.2004 345198.3488 521390.2038 127687.3414 513488.6705 1232353.165 758108.6942 1096116.421 1164553.596 329876.3305 793885.3169 1098685.316 211980.1771 235010.5045 233837.8308 132463.8271 111713.6018 429817.0207 20658.33996 116436.4358 49129.22271 25474.21194 295065.5234 256413.6951 73905.9244 82157.39048 363336.6839 374771.1099 642941.3934 664085.6114 362441.9103 337115.7641 374009.8076 344607.939 304608.0357 343973.1998 375764.2067 358639.5454 344999.4001 1351.791221 1333.541444 1539.860477 1151.907951 1018.924536 710.4405342 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_feature2 3014003.005 1505688.954 5055071.543 9593189.67 5885761.133 7618055.01 1993943.911 3378382.954 7483121.156 38838936.24 2154731.355 14091554.77 2899336.346 5754838.707 1805096.902 1530207.884 10173595.94 16976373.92 2356583.474 2218891.982 4063287.43 3184641.165 13564422.42 8987517.289 3927304.144 6775789.395 8710162.846 3280354.673 7846422.187 16318000.3 14165584.74 18260223.78 18730448.13 6826601.85 14538499.4 18188005.37 5297023.823 5394240.117 4474159.186 3300182.578 1969823.553 7927525.284 653317.0831 2421134.445 1043221.013 723424.9399 5445839.38 5335264.166 1594870.337 2480522.002 6538200.501 6948185.199 10262988.16 11555340.97 6445968.32 6516995.62 6793399.829 6423295.966 6437780.97 6640567.701 6244281.224 6711979.588 6552144.769 1119.368504 1304.148139 1285.024506 1276.666532 1262.052118 1459.300223 TG(50:3)_feature3 14484789.43 7419014.95 19162482.64 37561202.67 22995021.98 25500458.76 10237675.36 15747898.3 30733430.65 89249782.96 11560222.11 56718436.66 14562859.03 27145097 9308838.623 8073127.738 40545337.89 61314691.84 12563842.67 11303965.55 16452448.23 11822826.13 42173170.03 35199632.66 16479047.28 27730620.49 36621335.89 16254302.03 33455719 60354099.42 43850567.58 44297671.31 60732834.52 27875947.4 56415233.68 51776645.33 20661487.71 26148818.29 18320705.83 14636168.96 10255132.22 35279680.81 3639593.798 12431317.61 5535143.794 4276726.721 24490291.93 26503974.35 8159077.725 12641514.37 21971655.97 24834444.44 32995623.95 40658197.15 29304051.13 29257169.9 29629069.52 28162498.82 28502607.88 29253106.89 29660411.06 29042834.77 29186672.16 3356.338148 8730.724525 10500.05257 3782.27301 4081.09494 7271.654114 TG(50:3)_M+NH3_feature1 23934.26506 17763.46407 44946.05083 92387.59199 43131.08212 70362.44008 13881.17035 39624.6593 64295.6971 178611.5048 28858.42744 126711.9684 37068.37103 118840.5145 21627.75407 17912.24249 61313.64881 78508.66007 24931.94206 31021.99646 32257.83446 21140.03364 85338.36737 70303.5897 37616.22419 79218.9008 65158.38815 34336.98195 74090.07119 128680.9514 132068.4391 111631.5117 136876.6057 74280.19267 146396.76 131600.1517 54184.32733 76644.04229 51361.68993 38909.82331 32516.4027 96001.82227 7911.654934 27901.18428 9568.889961 5705.873058 62997.43761 85787.87175 19678.85749 27608.38511 70770.49454 83661.742 134928.525 132935.0018 81408.60963 79648.15537 58044.86064 56459.23229 57105.23658 70715.03411 81011.06198 76605.10163 73691.79221 97.00870542 112.6887891 117.5828594 144.6398131 164.3846012 181.5749886 GTInternalStandard_CE(18:1(9z,d7))_M+NH3_feature2 5267490.285 2670514.365 8571918.653 15819283.42 7220193.722 8293758.544 4155234.135 6178965.303 7111812.359 53037550.99 5552293.033 27188940.68 6825724.282 18002419.72 4227381.558 4051150.644 23249807.07 26791724.55 3393572.677 4965784.359 6077245.961 3438509.993 18624744.97 9064493.6 4060495.118 12334563.63 16166835.15 4443477.188 14744716.08 25780831.82 16661355.94 12394613.32 26408563.94 10853628.98 19815571.47 18813061.25 7681179.518 14960649.21 6766745.129 5265462.436 4374056.791 15634024.62 2203567.676 5453939.453 2602299.836 2098026.357 11366729.56 15775620 4738225.773 5750265.749 10648999.83 8032480.494 14699871.49 14247638.4 10984942.17 11702189.52 12449237.79 10817031.54 12225046.94 8165350.15 12052927.38 11385686.36 12305285.81 810.5236665 877.7718599 1322.028917 1032.487384 1129.371889 1958.002948 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_feature3 41254163.21 23946134.37 43667201.94 76443218.68 59199082.04 65276320.7 32138866.25 46207601.58 67757927.54 155454599.7 25129663.16 88631578.55 28365379.24 42602424.15 23251258.97 19844208.93 62808073.58 95401706.86 28406200.33 24615891.86 44243584.93 34531393.11 84216810.84 74748201.81 46144276.55 49599839.08 61944475.71 35181199.58 55214994.6 86017970.57 92098870.26 112628557.5 114785246.9 69914073.14 104913397.7 107051700.6 57302774.25 61673936.21 48557003.95 43792911.76 23618019.69 63579035.6 9832254.398 27631307.13 15955791.74 12343416.15 45187231.49 39298239.56 19724599.45 27597926.15 49950696.28 54810168.32 73866387.23 71709245.08 62519019.27 61778553.83 62278489.55 62063651.54 61728282.85 63042176.78 62770079.72 63041050.21 60940120.58 2343.082135 4730.154514 3798.666422 3429.637445 4645.428504 4710.732043 TG(50:1)>TG(16:0_16:0_18:1)_feature4 37533006.71 22865813.9 39277483.37 72848029.47 48498985.11 54949564.72 29183266.74 40261016.1 60915913.35 143278029.5 24133701.19 76914090.14 26848026.54 46971372.77 24754671.36 19411142.63 63941671.27 85223556.06 25970407.36 26322191.2 38515333.19 25790061.42 73494068.96 65152118.19 36980584.27 47092648.71 57262228.66 32516309.41 49028880.43 79892006.72 74037402.97 94390842.23 100612214 59052740.3 91621031.03 85889537.6 47945224.67 61793800.71 37700616.83 38393175.04 24238667.98 57059745.5 11090335.03 28380170.86 15947834.98 13440819.17 44844686.2 43131975.97 20554598.17 28420471.99 40670390 44358407.84 58945430.87 60715995.53 56458621.16 54723247.61 53208848.62 53140961.16 55362667.35 54340367.84 55019455.17 53206681.24 56351860.2 4611.765068 5141.729405 5298.725761 5962.932652 5172.319719 7613.721967 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 5306515.119 3686490.509 5532398.01 9756299.321 6511508.226 8447540.853 3813464.586 5940018.076 6785580.6 4878209.957 2979077.677 8097968.118 2957010.509 5113030.087 3840771.349 2423147.011 6306037.455 9718424.81 2725371.389 3514784.952 4442936.976 3697445.379 9416604.378 7877177.08 5192638.869 6182929.438 7086683.289 4316002.094 5524906.025 9473817.438 10073769.78 10131330.11 11465045.6 7000170.666 11215283.4 12192895.24 6291584.325 7479656.457 5351388.691 5366191.292 3531092.348 6971580.595 1680140.665 4052137.095 2195880.372 1810256.347 4799520.22 4378949.289 2795944.675 3857659.773 5531872.656 5812003.786 8178396.708 8702770.741 6528223.814 6855402.43 6065101.235 6172365.046 6485397.811 6298165.139 6613484.98 6581449.016 6431453.38 4994.903509 10553.47525 10749.54027 6488.41638 10864.86852 10489.60989 TG(49:4)_M+NH3_feature1 16070.64125 7706.384047 14743.25455 57886.64811 34165.38852 45284.51288 10477.29626 17190.08156 42487.88871 364270.6029 8560.195656 74945.91467 11916.45823 29443.8745 10379.25377 8285.941762 43807.14079 41011.94892 10406.77524 9864.463214 14654.58134 17414.47948 105498.4947 51130.48188 19168.60696 29767.18832 29885.62026 19612.58415 28443.82307 124963.8988 82393.26455 156972.9468 152909.5337 36400.06255 88577.7037 102275.8788 25527.14495 11648.37503 17291.59389 14848.78921 8024.772132 27726.74168 2172.425328 13082.07296 3549.593321 1846.498977 29315.52469 22357.83758 6109.829321 10699.16796 43504.53375 45867.61709 47435.76817 53629.77979 35485.81365 33623.21849 35202.89191 25229.73545 34926.1568 23547.52041 33224.71634 36573.62084 35553.54136 338.7567203 499.0607022 494.1528113 346.5365447 412.7943491 516.8953583 TG(49:3)_M+NH3_feature2 124342.7861 49222.92505 195941.9534 600061.2998 373906.6279 388097.88 76586.61183 142715.2873 423444.1564 2770430.219 65823.26306 674133.8293 113706.7492 261610.6269 62452.55232 53077.84084 520458.3167 953506.727 78403.15644 71137.04434 165491.3105 102461.489 882895.0087 554172.8332 164383.2222 252772.701 395789.2114 129599.9014 413040.799 908436.8414 839260.1561 1402174.61 1472823.288 485420.6581 921193.5925 1034266.947 314558.2211 304490.77 236683.3974 156504.4237 69781.03905 461678.0467 19309.429 119005.5581 36769.89481 27695.13968 225601.4673 252157.4093 68565.90039 86363.0732 323083.2375 440876.1625 605499.2663 765602.0231 353272.0901 326795.4517 371127.6136 296339.6059 356976.2523 357870.2585 339223.484 334767.704 347223.3838 224.0615685 246.0007116 242.5639391 248.8227464 271.9830275 300.6444051 TG(49:2)_M+NH3_feature3 1040601.789 378519.5171 1331839.308 3379518.862 2172057.652 2705197.492 593125.6952 1132784.088 2377096.279 12586215.35 306741.7876 2592970.152 464110.3489 818857.6049 315285.3384 142825.7396 1968171.073 3644933.114 353755.9878 340271.2661 1128465.689 732940.6358 4380381.598 2797709.324 1093702.78 1076851.133 1578610.763 745262.8722 1440323.97 3235197.865 3877385.218 7855911.343 6170992.417 2486097.809 4578240.469 4701205.051 2025216.116 2109147.231 1267318.306 1054156.462 307210.6567 1941953.085 91686.86763 490825.9052 180541.131 123185.8819 1146905.015 949664.8285 293004.5493 444534.3561 1694499.366 2041693.97 3148477.203 3409686.412 1866843.802 2001312.77 1853656.059 1926340.229 2022984.29 1871600.915 1863362.374 1894403.069 1964965.132 204.9107072 233.0976289 240.4606368 222.8281595 242.1136778 232.529671 TG(49:1)>TG(15:0_16:0_18:0)_and_TG(16:0_16:0_17:1)_and_>TG(16:0_16:1_17:0)_M+NH3_feature1 914006.9374 398458.4809 1059760.803 2989125.24 1758835.015 2161378.658 541755.3292 962882.9221 2038965.87 10568590 404182.887 2527537.446 538535.3957 1027910.491 411537.6532 279744.1448 1842786.792 3727442.486 393549.3845 445750.6689 941085.7313 655269.8933 3325678.471 2593294.113 897326.6563 1118193.826 1629910.552 774878.8578 1615678.08 2961047.417 2959904.886 6011811.421 6144915.203 2092686.842 4657510.113 3808316.211 1652742.891 1983715.975 1120816.297 984920.4189 411639.9881 1986324.312 127823.7423 708168.6073 212650.7339 156064.8032 1312759.207 1079891.209 382324.959 580055.3016 1358342.865 1463585.516 2439583.969 2640687.24 1743231.821 1654349.466 1808023.294 1778705.994 1686909.509 1788592.479 1716796.343 1780490.304 1686109.004 206.9569098 268.6603606 210.771522 244.4483854 238.2271907 232.6218066 TG(49:0)>TG(16:0_16:0_17:0)_and_TG(15:0_16:0_18:0)_and_TG(14:0_16:0_19:0)_M+NH3_feature1 220461.5549 105507.6804 280151.1031 725219.7862 379515.6721 526741.6976 133750.8156 221222.915 407413.0945 854781.0859 60798.93377 377368.5918 84123.69747 171162.0068 117065.3719 59983.19012 297481.0859 598507.1284 74416.19516 98362.88449 181403.3511 142624.0323 746606.9186 512046.2824 219441.7612 133386.1332 277647.2223 155214.1058 269701.5284 574185.5641 772447.3807 1188007.932 1148951.039 458621.6254 885076.8634 949860.1757 424296.6908 400864.8223 280906.9226 248835.5307 110155.2085 367598.1662 40780.11756 158781.1739 54471.48294 43640.43972 194635.7852 177867.1064 85265.3048 142772.0783 261226.3922 270109.4079 411273.9819 453739.3447 340201.0713 315095.8027 359660.6746 322108.7292 336193.3354 346502.4481 346340.9349 332870.5515 324977.6195 201.646069 243.4234922 199.0236013 189.3602645 221.0765016 328.1539383 TG(48:4)>TG(12:0_18:2_18:2)_M+NH3_feature2 119894.5349 64368.32171 214405.5107 530515.0865 234230.1789 304731.6029 74218.44516 145529.9294 310634.9878 2414148.573 70693.8556 586507.7211 100032.6869 280479.371 76178.40917 43742.42693 504195.2212 784326.8039 72837.00434 81120.10436 159298.3362 119204.7482 713856.7645 359655.7432 134778.2097 309253.2818 379202.3998 123337.5814 443177.6164 906040.7008 723739.0893 1006271.158 1039688.482 295270.6772 694553.235 1060441.909 194851.5716 195912.288 201950.1236 127932.0674 70281.39267 334383.755 19834.65276 85734.5189 31360.89148 20171.09077 230093.9607 228299.6659 59254.99488 93659.013 309234.0118 307107.9929 539216.5367 586082.186 298785.3444 310499.4679 286325.8409 275795.5573 301485.2562 299653.652 293119.8255 304394.7822 294819.1816 209.1333192 371.5156314 394.6601678 217.4430784 277.6821485 451.4444096 TG(48:3)_feature2 982122.4941 546287.9985 1621526.346 3282982.359 1741333.506 2127476.203 656478.794 1252762.018 2623091.093 16407635.49 988345.6189 6485557.546 1308995.093 3025194.458 816985.4086 630435.5611 4930759.688 7124525.414 981549.7937 1060497.214 1276227.498 867216.0246 4149094.055 2947408.955 1202137.633 2740544.551 3470996.038 1297144.616 3380851.953 7515419.895 4775986.95 5285636.701 6910890.703 2322413.722 5419564.961 6178478.412 1572425.563 1876021.282 1597729.231 1128709.634 835424.055 3179797.965 322408.2188 982925.0065 389656.6227 281617.8989 2338397.058 2720755.715 589101.3484 1004952.765 2097172.959 2311974.873 3975230.109 4370987.735 2349932.434 2408944.122 2497200.713 2419020.204 2355483.485 2447874.097 2470093.057 2355118.713 2389906.124 911.7576037 1085.089701 1123.586674 1016.379106 1110.113595 1218.884944 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature3 3959939.837 2299876.704 7612305.407 12214328.61 7149802.169 8878270.828 3145281.215 5590641.362 10114943.9 41584858.51 4256252.618 25742140.69 5132582.777 9882302.269 3375206.664 2775770.461 15241030.24 22868477.58 3974026.191 4384789.44 5449360.1 3768778.144 14985502.93 11655389.82 5594769.898 11499260.08 15315018.52 5370862.556 11623168.65 19728148.55 18701395.2 17757047.82 21301440.93 9962610.48 20079520.48 22269317.19 6709842.491 8653945.963 7026481.31 5299139.719 3338707.99 11812086.74 1271295.61 3865778.17 1747781.046 1257747.759 8366257.468 9863711.147 2690014.784 4093851.754 7550984.11 9050004.019 14577454.2 16608443.8 10661544.6 10806971.24 10250533.02 10258779.76 10623880.6 10832381.82 9475312.688 11071333.02 10826743.5 617.5527916 803.6707059 837.6650424 722.4984219 777.6997805 849.0587193 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_feature3 5409856.839 3425241.905 6351401.514 9905702.268 6634275.984 7442141.488 4251743.224 6736080.398 9827812.189 30112772.53 5563939.991 21912383.51 6462368.84 12474030.14 4759812.573 3976893.579 16423118.95 20474598.02 5312143.854 5644160.464 5791824.901 4255123.863 11478448.33 11500987.68 5826065.443 11136094.85 14737785.46 6293473.597 11736430.12 19333564.65 14500232.69 11718096.16 16583872.59 8855639.083 15193370.86 16823017.56 5953501.081 9396717.489 7225171.592 5517980.39 4610362.034 11496454.18 2287554.4 5484853.17 2574463.439 2247101.941 9093026.391 10391643.04 3402958.353 5271076.446 6933282.868 7554660.433 12960508.8 13837943.35 10039735.57 10245182.9 10370338.16 10276402.31 10204608.46 10638873.96 10229840.18 10263205.66 9975198.638 1029.930104 907.6487981 981.7749627 805.9277675 742.4312413 1548.345755 TG(48:0)>TG(16:0/16:0/16:0)_and_TG(14:0_16:0_18:0)_M+NH3_feature1 7867431.924 5067103.914 7382037.247 12627078.95 8282780.954 9827920.642 5940529.19 9008387.414 10963660.59 9284202.334 4717517.75 12209209.01 5386731.66 9989810.908 5830746.357 4238437.653 11192552.52 14736494.36 4851433.61 6122432.48 7096585.18 5544498.895 12532187.08 13171829.99 7370943.559 8238010.917 9755928.122 6408529.386 9302170.951 14103694.35 12605656.47 12283506.73 14382000.68 10569350.37 15948559.06 14051581.23 7887545.486 11817388.21 7025118.406 7537020.883 5506169.321 9799783.286 2559455.356 6387779.279 3238519.811 2982714.192 7875698.278 7429080.448 3757350.379 5394038.207 7153235.976 7973519.712 10096446.08 9832449.621 9856972.142 9401437.04 10126378.2 9593312.828 9845851.48 10009888.84 9442955.232 9481259.042 10039467.01 2491.483523 4794.887683 4519.854852 2856.972164 5191.242715 5031.341448 TG(46:4)>TG(10:0_18:2_18:2)_M + NH3_feature1 19348.79844 12766.47164 33059.36983 104805.7656 38583.9714 57218.85072 15991.6611 30033.50518 19854.05364 362863.0395 6099.76621 39282.64682 10664.57897 18227.75658 4534.771242 5127.823287 52007.17745 50953.95947 5910.1173 7937.096995 23344.67931 16712.93377 93285.99208 56013.95105 17038.70303 18188.69816 25329.88623 9281.57549 27488.38609 77621.04069 70747.35034 228588.3316 230612.0574 25414.0635 99262.94154 124385.4776 44092.01907 34438.84156 22812.97517 26945.76197 3886.366947 17819.05383 1458.060708 5752.280823 2870.437324 1637.649774 16855.47284 13697.95821 4635.193993 7047.803186 54973.29081 36648.33036 89106.57292 85094.64981 49383.74896 51194.54404 50493.40494 42646.1023 43062.90625 50391.28614 58814.61792 40957.1018 50223.80557 162.9343534 394.4323618 349.7078863 149.2971739 226.9564293 394.7268961 TG(46:3)>TG(10:0_18:1_18:2)_and_TG(12:0_16:1_18:2)_M+NH3_feature1 109579.2766 69305.79993 169746.8686 572915.492 204940.2016 286157.7234 63399.38234 150019.9113 262926.2837 2104236.123 49328.6409 374939.952 53546.04313 166007.2687 49132.72341 23679.47896 430966.7216 343926.9651 46788.2288 48726.96691 127973.6683 84875.56977 574270.4809 263344.7646 103696.6329 132088.9552 171085.0935 60216.61737 227502.851 642347.2458 464493.2578 819424.9432 889969.4487 246264.4995 632991.955 713713.9589 175860.7269 162091.8898 143262.5938 124635.418 45574.55141 224752.386 11251.89806 33750.42559 17720.99823 15551.24026 156487.6422 183725.6895 22210.48676 45511.84637 235735.98 267644.1081 444137.7098 513727.7937 232628.6238 240475.84 236917.8716 217306.3309 243540.2157 233902.0362 236826.4218 231294.0185 235514.565 175.5098205 233.1056773 270.3508591 189.391885 206.1500651 279.6883799 TG(46:2)_M+NH3_feature2 372115.1412 226937.1769 778435.1455 1774787.036 811922.9272 996093.2032 222164.3534 552622.391 1144102.971 8681181.323 299234.3138 3033599.566 391959.6074 1032663.604 275019.7183 173695.8953 1951647.104 2972441.015 276498.2154 368549.4787 507125.3669 325570.2381 1991648.589 1200964.537 466794.1302 1140906.207 1646462.107 411957.1407 1222414.585 3020763.892 2775474.174 2763472.929 3628625.189 1053966.554 2615709.985 3804033.557 680820.5731 784283.6269 742611.1644 512505.3572 266095.9772 1140968.621 81765.2424 301174.6096 102555.7884 69795.28611 799308.4529 942190.7504 178880.6849 330943.7239 995888.9211 1117487.275 2055198.872 2186010.6 1003988.408 1025486.796 1009870.027 976523.5594 989825.5739 1034848.13 991606.6795 1025220.508 1000812.637 206.0733892 239.9165633 247.9211406 229.2845347 249.4311623 273.9391164 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 4199.647647 4923.639191 7280.533896 21338.21871 7545.820255 16738.41209 2813.760981 9609.796352 12284.7214 49603.71339 3601.115256 25255.82583 4081.455505 15351.70652 2700.924128 1812.779704 20505.64756 24495.18204 2790.81188 3736.102862 4431.104823 2716.082735 14390.26162 10004.14107 4333.927231 11103.22111 16309.8617 3522.13057 9550.074135 30212.96958 20300.36942 18379.8977 30359.46811 13842.549 31216.23899 25386.975 8000.788265 10769.74185 7141.694418 6815.888404 3137.055598 9602.436277 924.4424665 3070.276069 818.5320186 580.6546208 7186.143968 9453.43105 2798.10169 2375.848855 16829.094 18455.55577 36028.67596 44664.4549 14726.13187 10785.38821 9029.652212 8779.481046 10216.00145 12145.33064 13622.3899 11635.48558 11580.70313 86.72398278 100.8324468 101.3264198 144.0480094 164.8712454 182.0373427 TG(46:1)>TG(12:0_16:0_18:1)_and_TG(10:0_18:0_18:1)_and_TG(14:0_16:0_16:1)_M+NH3_feature2 510356.3773 353756.4094 907103.6689 1653443.826 785460.951 930995.9528 358833.0136 759326.0084 1430418.93 7398138.03 718192.5634 4310536.68 828940.7465 2200469.448 568198.6865 376584.9177 3278204.896 4064816.534 581374.6124 753059.871 652668.8229 405859.6488 1884545.477 1510971.638 600553.9787 1798135.112 2527373.174 758014.7831 1883578.329 3861970.861 2502036.29 1980557.236 3096607.873 1159741.151 2897848.843 3187425.924 700869.3085 1101566.574 927781.2167 630771.6883 533860.2804 1710013.809 226154.0828 617168.5059 217471.8217 169932.8574 1327589.805 1800267.365 329015.8104 636850.8036 1036289.315 1148605.613 2654665.142 3064698.156 1517328.617 1503972.192 1461816.564 1419391.889 1472446.609 1439617.716 1562638.261 1458480.641 1496133.444 350.8425743 481.1139567 565.5483399 492.7943658 448.4013209 596.0366971 TG(46:0)>TG(14:0_16:0_16:0)_and_TG(12:0_16:0_18:0)_M+NH3_feature1 699189.6997 488836.6388 994532.0528 1100820.469 714728.2193 962022.1326 587693.5451 955322.0102 1121083.391 1813123.669 791243.4592 2409594.02 768496.3922 1562634.611 680951.6017 548836.6375 1857195.039 2417132.923 619146.7035 849286.7733 726877.1926 621200.6835 1426542.8 1390804.68 771773.1599 1390513.355 1968368.216 800242.4043 1378265.068 2252464.188 1868053.345 1047435.167 1628052.073 1078376.4 1660287.036 1980299.135 665556.3176 1136260.002 1060337.048 732649.4677 674586.3054 1179926.228 329859.4891 714044.384 336317.8247 278808.3379 1106511.67 1191750.2 422497.5002 642129.1233 932523.3027 956024.4368 1609041.573 1693086.768 1186396.836 1239667.869 1235433.428 1242036.33 1206864.889 1275833.101 1224095.181 1200144.885 1211096.547 191.782616 432.3994741 204.0928397 196.2921617 241.5132222 737.6639337 TG(44:2)>TG(10:0_16:1_18:1)_M+NH3_feature2 107733.6893 82694.40304 201828.2614 549015.7681 210187.9881 327166.286 60613.16887 172477.6973 246909.667 1986255.867 47120.58933 362693.7975 71563.54004 165194.4968 43268.49146 31352.23612 380213.7248 381638.37 40751.30142 71871.14182 129626.2125 85436.95419 510480.6592 249738.0743 109024.5871 175734.715 237040.0086 61232.52565 194749.6663 562503.4172 487217.6774 697484.7279 884884.7912 249518.6885 576420.7074 719297.5932 145688.3662 153043.3179 153587.9326 123860.2801 43227.35786 167930.4255 11782.69902 40088.48804 17254.30019 11730.75233 119616.9671 127551.1545 31207.64136 56995.16651 256933.9977 273491.9291 503364.2613 569697.0253 233344.6733 224093.026 216689.8489 220425.7778 227757.8432 214376.9615 223456.6812 221441.6836 234562.9378 181.4373013 303.0176556 279.557552 197.2667001 214.7341804 344.4370867 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature3 88450.53443 68356.5045 140314.3119 434813.7258 165812.2904 239549.45 53707.55127 144684.8124 248752.3077 2081558.228 67782.13085 560271.7151 88737.40815 252996.8983 60800.28038 39290.60264 498791.5292 561511.1933 54821.09818 82892.49845 106032.5816 58083.4434 379474.0256 222861.9112 88477.63828 210010.1223 311833.9904 76206.89428 238257.4508 667342.7661 428745.9013 547057.2639 835284.5459 217227.8777 577728.3897 626848.4821 131095.47 169916.0523 137294.3836 119832.9007 52085.85086 205829.7981 21732.10765 59571.7999 19994.31309 15243.46339 157194.7565 202728.0582 34707.30447 66444.78146 226027.1069 264307.8151 546178.1031 644002.5346 208255.3744 221123.3753 216084.1319 213788.4534 214466.6178 211482.7992 211168.3672 218124.986 214538.9578 230.6280965 223.1542214 560.0149546 193.1359516 270.8277745 249.4471179 TG(42:5)_M+NH3_feature2 4348.711536 4311.681627 20260.80491 38298.71747 16145.31524 35012.60221 2437.013083 8702.713161 13673.72329 107897.4296 5827.190724 31770.79115 13643.86551 16102.56982 6265.824378 7052.83427 94477.53423 51341.52442 3714.649325 17022.62657 5573.206935 7919.714831 21722.49533 13159.25995 7173.701585 21478.73209 39249.31435 9406.518494 29052.80207 121375.3794 28831.64766 16010.00977 25294.61413 11396.43823 24682.00376 50251.61958 3197.232407 4515.2294 12396.56543 4052.489877 4593.182699 15305.94566 1614.207265 5093.896772 2687.075297 1541.918607 14265.24985 8137.833693 4975.413728 7477.519907 17735.44121 21948.07055 40112.18115 53471.89213 18106.39311 19181.53498 16836.37144 16672.94728 17174.94627 15164.83813 16252.112 18028.15335 20752.3921 131.1179992 304.4846251 350.5265714 181.8066107 346.3615382 491.6101274 TG(42:3)_M + NH3_feature2 9666.847031 7755.393148 31452.39806 37917.45679 20086.29035 43449.55569 4906.030617 11944.64427 24108.90173 249532.368 13863.25141 108013.517 31606.5484 22308.0916 10593.88576 8526.959521 198644.0248 81674.21886 8960.019405 15283.95865 9396.146098 10186.98248 33399.18415 18627.89187 10507.7011 42331.10387 76494.86571 11801.3956 38334.57737 290568.2402 35904.89848 30372.71183 53401.72083 13817.21619 35529.51638 87480.15043 8449.977946 9376.235321 12163.52968 7978.096383 8438.685304 23170.97974 1960.042882 9523.169077 4599.773551 3085.887726 29752.68556 8813.780658 7795.476071 10633.46412 27809.12055 22011.70866 87726.75509 64668.1154 35108.6701 37481.63128 33244.06964 35092.91322 33781.16215 38178.59302 34708.75805 32566.5481 37357.29296 196.5428265 514.3305009 549.4430857 194.1874753 346.9629142 561.3187102 TG(42:1)_M+NH3_feature1 19393.95624 20411.20561 53620.77453 113205.5572 36403.36432 68264.14051 9785.932727 31137.51437 44471.66912 387296.0963 11202.04555 100082.6798 29764.42959 56429.81139 14622.96989 13200.78518 165466.4491 88041.44017 11076.12942 12060.42385 19580.73368 17040.54442 68861.79816 39399.38013 15399.29357 37816.97358 77348.73426 15321.2892 57260.82304 202386.455 79139.98009 72032.14988 137258.2251 34527.1983 79318.65978 116175.8462 14536.65838 21818.10033 27441.31021 17512.89553 11910.01325 27209.83617 5219.17307 9279.832911 5526.138586 3632.156915 31013.29563 33450.08088 8682.308632 18308.99111 50339.29726 58468.25149 125774.5653 134476.1874 51131.11928 50303.31672 44888.98883 47561.67509 37118.49768 47806.15266 51674.41359 47976.44728 49675.64557 232.5403629 305.4907073 280.2544878 236.5194344 247.4663452 356.9783675 TG(42:0)>TG(10:0_16:0_16:0)_and_TG(12:0_14:0_16:0)_M+NH3_feature1 25550.99735 26598.15108 41256.26773 83947.00286 37128.57895 53536.59966 18153.39837 44323.17443 61467.15029 360559.3037 17178.4861 92906.18218 22629.23214 48552.15523 12940.64106 15125.55641 85374.92455 107102.1965 16717.70665 24326.67006 33070.95316 19936.10534 76562.48307 51740.05109 18430.73513 44293.19636 66019.53584 14493.41169 49931.81053 118991.8845 106084.2117 99057.87469 169520.6176 50180.37253 111606.6794 129941.4767 29221.11687 41034.93008 40589.91627 31046.36978 10828.7841 45351.62108 9689.204376 12435.00121 10281.75923 11056.27596 27880.16484 41803.46796 17536.95758 21332.00423 56119.24533 57331.93873 118824.0271 143171.1239 42113.73184 40461.84613 40803.45811 41917.36692 41905.28281 42477.03507 42831.97529 36977.66669 43294.07029 2593.404353 2868.43348 2475.570661 2836.303864 2267.096737 2935.686176 TG(40:4)>TG(4:0_18:2_18:2)_M+NH3_feature1 43140.96341 31142.02029 145836.1564 267735.7979 150841.3722 247705.7644 36123.12491 72354.8599 121232.5878 964527.9604 42966.79162 220922.0611 90972.8301 87003.34311 34159.39298 48345.47654 510457.9715 272811.3365 36851.63243 47885.80548 59858.05685 78829.40574 247909.1966 175764.7001 59797.58441 150609.5985 252650.381 66728.66288 171093.2939 689733.0164 179525.8391 228393.8706 241591.3031 136953.7692 256113.8554 293982.6194 59119.65369 64741.76473 72933.25597 42391.52112 28183.82813 141652.5773 4718.556618 36581.08627 30508.71309 7601.616732 130622.1823 49230.07692 34401.75247 55587.01606 125016.7205 118372.8687 245589.8812 280595.7419 134341.6837 141106.1721 140394.0402 123764.1785 150608.4164 132547.9112 134038.4286 140061.4163 136615.3083 161.3072051 350.5550975 387.1612189 182.7944373 294.6002427 480.0701277 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 137677.9867 77740.95746 383059.8332 651323.0196 392853.8827 664474.9302 73704.47117 225630.7553 325060.1728 3258718.448 103819.4592 726210.4271 277311.1086 283939.4433 105804.2764 130137.619 1699879.126 931154.6948 83495.00421 188993.7679 152949.3613 163571.2089 558119.6178 413424.7828 146984.8213 509637.3119 736409.8162 198522.565 547461.3008 2337802.051 457381.1617 643681.4393 650111.4265 304576.7092 752090.6881 720403.8166 123624.9781 179498.2901 167486.2073 97198.5488 78768.33373 397136.505 18240.52408 106909.2245 48676.14647 25398.49409 357010.2752 188934.5787 81785.70865 172943.7968 309846.1565 325220.6349 703735.9552 698747.7596 409442.9192 431756.7369 394488.1667 376076.615 396777.1729 397803.7563 424083.6925 414639.6257 403994.3075 126.5339881 315.0568145 248.3912262 132.2087413 256.81104 348.453913 TG(40:2)>TG(4:0_18:1_18:1)_M + NH3_feature2 54414.63172 39310.74739 206846.6082 422111.4918 156177.0675 297547.1283 31509.767 106389.3891 182521.1199 1582115.388 64178.57317 672909.1349 173119.9576 175288.2028 47571.79822 67537.35072 1197863.862 596399.3313 47944.89479 110700.6921 59279.62424 58147.67475 235664.2585 189007.5827 54855.72066 313604.2062 456605.1786 88450.30928 349905.0931 1398097.499 318920.2541 272190.0137 315188.094 126704.7714 336683.9083 414461.2138 47987.82686 71185.0929 75232.94723 39625.99814 37664.56106 199838.7223 12720.96091 49023.29854 25384.74237 14278.54163 215122.192 110395.3525 38176.76805 107566.5765 139761.8889 139247.9764 405208.7723 431765.1296 234335.3269 240903.9203 225069.2229 235746.7851 223450.8708 237633.334 231125.9168 226689.1584 242417.2006 138.4535415 343.7318815 395.6939045 151.0962885 242.1315154 409.3185649 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature3 44003.0435 26423.9755 166270.5899 133185.8798 124573.5517 223643.3524 21772.21417 58901.64608 74097.29077 1019607.233 43532.40602 307615.8338 103310.9303 83762.65241 27547.56345 41916.75454 607069.1084 244354.4032 20425.53853 47856.88379 51630.49554 57518.329 207113.6012 82637.34645 45598.16454 125494.0459 250504.2957 49947.27948 142359.9696 876769.7428 112887.3447 204787.051 235217.4614 65809.00257 208180.0792 262813.8503 27440.68453 44770.56206 73021.38651 29854.5337 27583.16651 129817.545 8553.923969 27335.2896 18483.37804 8227.309887 85792.11359 62120.06254 20304.22949 58768.14198 123086.7026 94568.63328 348314.1441 281579.4146 129980.2107 116226.4727 107400.3131 107246.1856 141047.0639 132243.8392 84627.19286 124596.1966 129470.3502 151.0260563 356.9000393 342.0415368 115.5080899 205.7223974 299.5244411 TG(40:1)_M+NH3_feature2 6019.142969 5998.60492 30139.28442 30588.95731 12494.35919 33943.04851 3342.583744 15826.89534 16407.9219 191094.4504 18834.8086 171832.8502 34533.04636 40497.04328 10620.92583 14972.26632 268240.8015 72670.59589 7608.286473 26719.57526 6254.302535 7369.740599 26327.48002 17574.28996 4685.916993 63020.38116 92598.98265 10934.00261 46210.62944 244170.7017 28160.80022 14449.74814 32315.94544 13466.38856 24991.19734 50872.6176 3096.471474 4944.935474 9142.622163 4655.24529 6717.208817 18240.83349 4629.853553 8748.266111 4722.077113 2648.216861 23897.54416 18808.85537 6124.37087 19317.26907 26296.64409 25605.78413 112255.913 112841.5442 27521.91818 30630.56677 25956.52168 26594.14291 25579.29284 26789.27025 25445.98394 27992.60002 30219.59006 128.5527686 140.8505504 146.9145572 122.6877301 127.5426995 140.8723646 TG(40:1)_M+NH3_feature3 24460.72585 16162.33063 84738.05444 133596.9491 66511.61905 122878.6822 12717.5986 43554.85957 64077.64808 621025.6743 27193.53963 216605.5133 63010.44204 55394.90679 24775.87899 27604.60413 385117.6897 205759.7121 18424.01911 47219.12918 23527.16053 26183.22528 99148.90338 66521.01754 23682.2161 125390.281 164381.9445 38280.37616 110846.9952 514820.7556 101980.3856 112420.8056 128154.5362 50144.10228 125594.7816 176752.3264 19068.3966 27279.86077 37643.15126 18519.88554 18672.87621 86091.37742 5167.533773 20400.99074 10637.28548 5236.657669 68176.63283 43317.36192 16023.24518 39747.7597 54275.87805 55833.05123 177951.344 189845.1802 89961.04689 93560.14787 88764.23629 89127.79837 87920.2274 93648.97531 91318.69026 91106.67963 89332.47998 153.773119 342.5235088 371.1470854 149.891872 221.4386626 415.354021 TG(38:4)>TG(2:0_18:2_18:2)_M+NH3_feature1 9917.946354 9796.881921 42119.22993 110714.6717 57168.50672 93850.36079 7529.485577 16558.27759 29611.70454 184945.1124 1594.841609 27665.85312 8147.73704 7868.462592 4335.921777 4916.114171 91512.75948 53606.81495 4370.199323 4880.654583 24685.53641 27143.15116 78643.28384 43340.75756 20041.81295 19222.34736 28105.99989 16816.18407 30764.72087 101935.408 42677.55682 150095.6409 102802.1146 40902.15008 79495.4202 67048.08462 37467.90189 20647.3167 18164.73196 18044.39756 6082.454489 26636.7576 1300.430808 5372.54216 1922.7198 1367.103692 18878.10763 5202.277298 3806.04379 5539.430282 28823.85881 30916.20287 45969.6373 43398.40954 32679.86872 36692.70698 31930.57103 33662.18071 36984.46423 33694.93284 36044.5059 31944.52848 33975.9862 167.2074842 178.4572487 169.140691 177.5228155 183.4375189 183.0027746 TG(38:3)>TG(2:0_18:1_18:2)_M+NH3_feature2 48957.46122 41230.89345 160808.7985 395038.621 209426.7154 348429.5963 32527.45198 66365.86202 112913.7814 738744.6785 21346.59171 166533.1924 72762.84429 77225.53514 36277.49532 38398.29638 528758.4544 268098.3609 25009.24528 51179.21076 66197.35642 82254.72703 233110.1062 152872.5902 69805.7483 120150.6081 190893.8123 62544.85883 151040.1425 563026.3143 160048.3211 505175.3653 364884.6606 117910.7345 282156.184 243139.3872 131463.974 86651.35581 62487.9755 54113.03085 24491.73912 125401.9378 4845.499346 28158.75257 15562.53795 6265.384787 97499.64788 39555.48976 27687.61026 42320.68894 91851.84884 92813.20542 146988.7614 195264.5177 141902.6398 134960.8824 117671.8618 136675.0308 110719.3541 143515.7232 126368.1645 141541.4388 131796.6806 173.8358979 250.7337188 210.8598315 185.6291572 195.4765944 273.3386504 TG(38:2)>TG(4:0_16:1_18:1)_and_TG(4:0_16:0_18:2)_M+NH3_feature3 234840.913 164072.4239 773387.5429 1238891.606 658044.2754 1125623.744 124494.8669 396110.0953 479966.343 4934668.923 238248.0638 1569005.803 600940.7212 552847.8141 226184.7145 276336.3452 3485431.169 1736873.627 163778.4129 489867.4258 272761.9644 301666.8902 827809.7604 613553.8902 249029.2297 1057218.711 1539651.603 396426.3751 1026462.489 4574977.351 848132.7516 1043153.678 1097576.038 481741.7886 1099380.376 1263442.366 206419.0628 265848.0872 311924.5339 170387.6283 189966.9754 656417.0487 54325.41368 189243.6139 104666.5975 52443.38623 669127.9214 357161.6156 165069.2962 388633.6036 539373.932 580009.6235 1481586.199 1400295.816 779215.6335 787558.6911 719133.8845 711224.5638 706718.0184 736376.3446 801667.2962 777264.7032 739462.9353 135.3639733 336.7516502 333.3963605 131.8534899 299.8817579 346.7843484 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature2 8866.611576 4299.856541 28272.90726 61197.96713 27909.7911 41094.19713 5053.458378 8981.904684 19736.72975 156578.0728 9795.690572 56133.10147 23313.44144 19476.35798 8075.328309 11126.71488 156181.316 41609.59688 6051.29149 13818.86183 12579.02847 7816.352399 35811.27457 26835.15889 11755.15667 33038.71868 59879.32313 15115.83875 35994.40805 72116.11845 31072.0649 72436.97219 66454.47016 21093.05207 50906.94067 52511.57972 16395.27321 11063.18289 12147.39526 10164.00977 6622.274651 27382.33024 2411.475988 7693.84234 3154.744655 1901.461036 18266.92245 11578.49894 5328.274662 9983.124087 11741.96377 16136.63117 32375.4788 38440.05571 24408.2701 21887.30652 32019.5661 29163.66365 27695.8166 33471.07975 31328.4052 25841.96978 20607.92422 173.9954818 518.5161563 554.7763917 136.0830685 329.1581815 497.1410592 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature3 108134.5044 78115.41436 397094.789 578164.4198 302487.9592 556308.8095 58869.16156 198009.4108 291118.3013 2897755.713 169464.9651 1394166.554 413985.4446 449433.6116 134291.6853 194902.0998 2948661.538 1094743.491 105974.9402 283448.004 116838.185 119619.6602 417206.9804 321766.738 113991.1245 785193.3162 1177124.141 213582.7751 615048.2252 3082817.476 411666.4174 439137.5441 578851.6345 235257.3389 593585.6432 730772.2518 83741.5346 147279.0229 152453.7842 86368.52354 105434.6404 394508.3353 34405.63778 101831.5052 59069.66472 33076.07476 413226.3131 245282.098 89005.37973 242896.8474 235136.613 262960.9671 793641.9089 818706.3321 489047.4624 503209.4549 493727.3686 468209.219 502544.1088 483724.2564 486075.936 510071.8413 485634.5248 126.1871379 313.4645485 361.0656446 144.5506113 231.8165249 392.1764345 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 7174.269679 6459.37689 27276.52389 39354.25179 18365.16793 35451.72688 4100.020014 14852.74632 19426.53089 156793.271 10413.76091 65757.40239 20495.97806 22257.67584 8030.862719 12175.50765 126534.884 54761.07239 5624.18276 19544.01145 6063.349458 8579.981196 24003.37548 17890.12162 8456.136962 46241.6573 51990.14249 13762.78381 36010.94622 146976.9812 25215.31315 26794.67488 30799.47383 14572.58077 28793.93467 40294.43154 4636.284113 6905.866655 12304.20072 5565.55571 5663.957162 25051.37164 2628.777265 5924.404788 3353.693002 1908.58014 18015.2896 14020.88487 5311.229694 13450.73934 17885.70839 17900.34922 67602.07212 69432.05977 27915.83856 28530.99356 26901.30615 29682.51915 26647.05661 27107.44623 27854.66722 28113.73295 28529.96533 986.0001075 930.2803788 1415.875332 657.6442953 917.5217582 824.2770339 TG(36:2)>TG(2:0_16:0_18:2)_M+NH3_feature4 81266.93061 55947.33095 260975.3232 587275.5249 303873.3271 466616.1292 49252.85888 102024.8571 174267.6617 1109756.8 45493.5675 294840.3099 118697.6421 104142.6087 51362.99525 65814.91873 714071.2567 374229.7846 35793.63928 83000.29237 105856.8451 113824.7716 355118.8699 236690.0217 114921.8111 196642.483 277642.0412 108293.7573 243450.5099 860867.4292 272755.2392 700883.1198 550080.0972 203413.5443 433662.8219 438897.1948 170497.3644 142929.2359 107941.3124 98034.90847 40375.82676 232711.5017 7989.084482 46672.33186 28190.5809 12177.09766 151879.8803 75133.97868 47021.05159 71207.0062 154676.2967 159035.1932 280599.426 290848.6526 221203.4353 216154.4049 209317.4562 213229.8015 214143.9863 206981.4668 212794.3035 225966.4104 215234.9275 117.296321 115.1759649 134.5454478 134.2137976 135.3115112 165.625529 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature4 62598.08192 47758.29107 196415.4837 393852.2269 191411.2599 326159.2187 37776.98335 97923.34019 143641.3892 1279637.756 45703.13073 446794.5782 133442.0823 146092.7017 44957.87644 60129.46736 1283588.809 427324.8938 33295.02129 89560.26801 78536.60536 67272.5272 230861.0118 195865.9116 72811.44653 234765.0596 343204.9081 90391.81715 230268.4237 963360.1106 208008.0219 460562.908 386087.482 141549.5796 381518.635 369346.2983 117001.436 98531.70099 78384.98198 63271.8422 34726.11108 207177.2231 10772.47942 42257.81944 23326.73397 12601.37678 142659.4448 79375.18629 30870.09866 69938.31645 120352.2119 118071.5449 284792.031 287806.7799 225734.7072 203420.2278 201792.4295 213214.502 213162.9283 216876.2974 209323.7884 203207.7601 220610.3524 149.949231 448.5997731 407.456159 149.4976274 362.2333301 549.1695714 TG(36:0)>TG(4:0_16:0_16:0)_M+NH3_feature4 24711.05752 22489.80085 95607.60953 131484.0706 57889.62644 124977.2628 15724.42197 43559.39302 58217.19408 606313.6596 35618.82347 260648.6608 90874.82312 94259.91203 33609.67514 47006.39639 792201.0943 257519.8914 20027.09562 73997.00258 26476.52851 31237.35036 79292.79597 66610.10342 23211.3688 163375.241 262760.7564 45924.30742 143808.8272 665643.8942 76611.53468 75196.11068 120323.4149 44402.68674 119009.8578 115867.5053 17838.92748 28970.128 35098.85666 16674.7312 23097.00298 73892.92655 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66773.44973 50528.6893 55979.65954 52788.26936 51400.7265 52930.6904 49668.61507 51676.94165 49030.36115 57787.66784 1560.016648 1282.412911 1592.127675 273.7117283 1364.984872 726.2583447 sphingosine (C18)_feature1 924456.75 769100.1665 487391.7874 628866.1404 698307.3935 697316.8094 486307.3043 801937.4012 605773.0565 695660.438 910788.2708 816745.9827 824071.6095 1066562.493 841078.6633 710630.3298 641813.2823 843687.2356 539710.841 784547.8281 611573.961 629445.4035 681918.7529 670684.0074 695684.552 818751.8933 506116.5857 718957.7725 664669.7543 954871.1237 592173.421 768519.7092 552502.3943 659359.2163 561022.9795 622726.0859 628891.3452 738558.0084 418000.2291 540353.2031 706065.6467 954476.1961 293834.4549 680954.214 640516.9246 414784.2723 573323.3276 751725.1432 358070.7214 708907.4302 580763.9872 612064.1455 489397.2476 471601.8296 703585.8183 649827.4114 660759.6093 643751.5785 683233.1674 657000.869 648390.9601 696006.0267 674211.3357 5061.588356 7944.103635 10233.49816 5835.647193 7456.457847 8201.907431 sn-glycero-3-phosphocholine_feature1 3962586.045 5118190.536 3117811.969 3259473.065 3101965.076 2884724.816 2939540.962 4480502.993 3762794.523 3622685.303 3661238.744 4464225.875 5497730.289 4423056.395 3006446.516 2842170.703 2419742.224 4060408.182 2672527.935 3951629.197 3419437.172 3251312.928 3222838.121 3300741.718 3369454.965 4102174.706 3033394.595 3379574.842 3249021.581 5173260.885 2335577.91 3192670.092 2580414.294 3315193.161 3162199.454 3329693.009 2978603.843 3272989.712 2357402.942 3207517.144 3891059.537 2785197.896 2619167.076 3164416.743 2854346.463 3313161.6 3161381.203 3796392.16 2474804.448 3153434.868 2863771.662 2758648.028 2876487.651 2709423.731 3423748.363 3591927.408 3610731.568 3178370.125 3237659.583 3446989.537 3649030.225 3225371.807 3624933.362 1422.784678 7518.330112 7362.435351 798.1040413 7410.209072 8025.310929 SM(d44:3)_feature1 512149.123 459740.8384 380278.3664 435406.7458 482578.8961 444886.0617 264261.3404 403306.9312 348378.17 349421.6205 405217.235 421305.1797 492685.425 599358.8124 511450.5932 398774.7014 372110.6633 413553.3717 283153.3405 608408.9906 358827.8318 462562.7523 333322.1929 372561.0865 398995.4521 542260.2198 359834.6556 464710.0058 417781.0729 543519.1631 333591.2665 425345.3596 302958.1284 366999.1857 347220.3509 367300.1302 384207.435 391015.6885 262430.0572 314520.3179 408947.4834 508682.316 278119.6374 349243.8188 350298.6558 305504.3981 341469.8929 453559.2832 287914.4646 460743.8813 378683.0416 399118.3079 308763.0597 327202.2319 372786.8807 374221.6534 379017.0468 374092.393 385012.427 371675.1429 380772.4026 378439.4585 368142.1079 378.9502509 601.93561 637.3554589 407.1698004 542.2519302 738.48873 SM(d44:2)_feature1 562800.4559 494263.033 335748.0095 309284.4364 323246.9458 333281.9737 242087.8132 347689.3636 257314.7098 310348.3164 276737.403 345050.4629 302000.695 531651.13 504292.7641 346300.5478 335829.749 380699.3473 253073.3331 624362.8771 338748.8499 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66416.00742 56993.81972 53015.14721 69573.95879 32076.84342 60943.32083 67003.66126 113553.5019 34780.26934 80299.43576 82598.58049 40211.56569 55635.65898 120140.1506 33970.89172 99339.2321 7129.260718 5348.679667 900.0842976 6247.057873 65667.23932 66042.58702 61396.31672 84260.44656 77671.69051 80520.02983 59539.87405 81252.81392 55668.16064 163.1041766 497.9184778 473.6042694 160.1649116 291.1981227 542.5456928 SM(d44:1)_feature1 258863.4716 208970.0868 157895.4793 203913.3641 224078.3787 183306.6423 120060.1767 185090.3678 153399.7575 157650.2884 162066.0113 201877.3228 213097.1297 293083.654 234062.4259 176883.129 150208.8215 188233.0473 133237.38 286355.152 194504.1386 196116.793 160436.9367 182857.263 170705.4299 266927.4434 164679.5844 240235.2573 205621.1819 270472.2756 133598.7647 216619.9828 131262.936 147068.6439 125114.6463 158235.1601 149401.8997 151468.5005 114321.4256 123214.0813 207715.5207 255317.3224 129305.9986 166073.6399 160311.48 137667.0554 166125.8008 214708.8508 123827.9602 261448.3702 123409.5113 119081.3577 96665.66845 101076.382 185734.0682 205480.5948 187004.4857 193973.0347 195870.7526 202047.8277 192138.4091 192723.3084 191036.9111 358.2193966 835.4613243 879.759604 320.9876368 518.9628883 988.292815 SM(d43:3)_feature1 145384.9018 146162.4698 87148.21454 125569.4956 113525.777 106571.8007 55266.8067 108412.9542 79065.26654 73878.1207 73476.42353 79042.0808 83895.75514 127563.2637 107101.0818 68278.61599 66621.44129 72067.06921 45193.12791 143714.6266 78784.22787 103907.7192 78316.07689 88975.42943 88819.59426 116361.6296 62060.95659 106727.1622 91271.70181 122767.7141 71433.43872 114002.9696 64065.94027 107922.3902 60485.99525 89262.8372 94303.6917 85928.04995 73842.78002 66642.59843 81117.85382 113847.6214 45621.65267 82374.08229 68191.89436 53502.79098 83493.14804 113733.4444 45950.54016 103060.238 96623.73763 105987.1948 84512.83218 71524.46249 93816.22248 81909.61113 82735.90011 80286.39815 81784.88962 88299.41089 86717.1847 84934.16554 87597.33805 345.7026464 838.618608 833.421463 368.7895153 988.4365941 889.0200548 SM(d43:2)_feature2 508366.5592 372224.1566 353368.2614 350455.1132 421924.9823 337867.682 230020.7585 388837.598 223480.5443 280151.5897 247849.6985 269851.7412 350529.7927 384943.4685 346856.1456 219410.49 237387.219 228351.6325 153423.1655 394711.4454 338617.3215 335185.7687 265870.7717 284988.948 303593.2209 366859.3307 206129.1749 316218.194 269054.7689 369371.2557 323138.5255 520350.6691 289282.7242 290603.8721 238767.0119 384775.4517 345482.2708 275699.1396 226167.5471 220436.5023 253250.9374 333008.2785 148888.4638 326795.1235 222975.2715 175063.3547 203357.1662 321850.3845 160878.1215 292264.6032 341062.5663 371321.8138 251845.4994 254305.0451 269294.9228 298830.4733 282693.0187 259027.2147 330362.6793 297714.3864 270753.9701 311515.8429 253886.051 426.7026841 649.42938 662.2947092 471.6033151 627.180311 839.6384595 SM(d43:1)_feature1 571793.0424 203581.9927 361508.4744 459026.3076 201549.7018 453345.7419 312492.5908 517154.5626 187991.4045 478420.3404 217342.0176 282621.8783 231523.7047 352000.7603 242989.4039 146526.4336 188991.5311 173525.794 116423.4172 257712.6735 414532.2224 544761.0961 241896.8211 244258.1998 395595.4533 359540.5014 242356.2456 245296.973 197239.4349 432179.0572 472931.332 701533.7397 281893.3302 228851.3314 322659.1489 361717.6272 146118.6616 226018.3236 303867.5239 173041.9481 193308.0638 386171.2932 157119.092 181058.6395 194318.7305 158866.1481 215891.3723 320577.762 188313.8513 358866.5105 361416.2399 146953.84 201732.5811 146869.8452 284597.0894 255539.672 299095.9529 334673.784 301359.2997 287812.0658 306743.6498 216066.7198 317893.4794 326.563378 502.9263155 628.7514011 355.2536628 399.386736 579.0687639 SM(d42:3)_feature1 26310524.42 25197005.84 17142599.47 21606458.24 23819959.71 20298385.5 14116801.81 20968361.62 16066014 16341214.27 17174018.04 18466327.67 20137818.81 24374589.3 21902277.48 16152463.14 15344738.94 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4041023.035 3170199.727 4001984.171 4149270.18 6047930.363 2709350.062 3387694.87 3259298.257 3563869.859 3620259.112 4760445.282 3379852.053 4206359.693 3404805.401 4040276.823 2825264.041 3195604.521 4033806.638 4304900.121 3652187.605 4135748.613 4022384.575 4106903.242 3873396.505 4134601.906 4084792.886 501.5540913 456.7827426 488.1217394 518.2781107 663.8700482 536.5287129 PS(38:5)_feature1 167781.3441 129343.7357 105165.8524 154970.7113 131067.634 125392.6956 90328.19121 136640.0976 118222.8028 94645.60903 61446.03083 125351.2626 121339.0851 121824.4533 131124.1285 104925.7396 67547.63187 69907.42373 56961.95342 130727.5701 94708.47493 159195.9628 107427.996 124208.5795 127170.5861 118801.5141 83463.00005 90835.58255 117001.544 159573.3555 95828.93679 99066.00457 77755.4927 85841.76699 102509.3301 109845.9366 93595.60886 121558.7945 80588.01641 99647.18448 114151.032 183094.5232 81440.60563 78784.01444 81996.2899 85574.0964 82727.02537 139532.1903 92453.92516 119862.7298 90611.2746 115335.0233 80580.36427 93905.10643 105894.4235 106244.8126 98034.47158 98364.83612 107412.941 72387.49342 118231.2995 119718.7975 93174.39039 381.7590704 366.8249477 379.9812806 427.5193206 400.1303607 402.283713 PS(38:4)>PS(18:0_20:4)_feature2 8330432.582 7641983.638 5542409.747 7096815.625 6703443.581 6295548.449 5498921.887 7349721.704 9017540.139 6018279.874 5993774.137 5714733.295 6268234.354 7316775.273 7289429.105 5763009.814 5162006.095 5393463.781 4260663.957 8026000.653 5590638.189 7399329.163 5847898.731 6286445.231 6484047.488 7712629.411 5233285.299 5817619.687 5858187.222 7564649.265 5353793.613 7100345.744 4630747.439 5328391.556 5688484.676 6220060.019 5902995.816 5390446.003 4908631.5 5657051.939 6160307.524 8257214.778 4853552.378 5797405.76 5066059.739 5079940.33 5576479.733 7318952.688 5248777.757 6825399.811 5941693.54 5897469.802 5029480.739 5531236.471 6054899.286 6060948.768 6215035.751 6335124.501 5806888.721 6016494.351 6004820.036 5997613.267 6318560.632 670.1528903 486.8542218 477.093215 477.1694375 460.5803052 470.8612911 PS(38:3)_feature3 544680.8079 581124.2381 505803.9315 552673.193 535899.3845 493149.9189 439882.2219 384144.5908 670509.1906 489292.6826 494876.6024 591796.0108 790547.7742 572590.8218 683979.8845 643883.8529 602076.4377 518449.7597 484618.2059 817304.1319 389599.7887 597085.7965 399015.4252 507024.9558 347902.6687 741055.9697 484029.0182 535032.1909 491637.1844 693030.5338 386939.9692 487476.9656 317495.875 222481.959 409119.5225 465724.6566 435820.8401 332049.6569 341603.1916 289546.2196 491913.9333 762566.3746 418846.3641 406343.3901 443835.2872 543662.592 375238.7201 578821.872 467262.9364 453660.0541 406209.0818 469287.9528 430212.5671 517945.3529 494676.9561 505286.1951 436563.5194 470779.2241 483465.568 391790.8941 457797.4785 574268.1983 463140.7462 609.4696531 1037.812892 974.5397349 681.0303931 1220.036552 1201.936071 PS(36:2)_feature4 1811439.864 1835698.612 1387720.202 1381286.57 1167313.857 1669232.207 739455.6008 1068362.93 1698745.704 761220.3152 1256084.682 982598.3115 1165379.893 1540452.274 1450445.345 1387042.88 1122004.27 1050778.815 846395.6811 1318265.29 1286464.293 2144937.444 967067.229 1558219.493 1059901.617 1457500.316 918924.7176 1172090.547 1483840.48 1432842.892 816059.4096 1515678.005 736187.5218 1094295.134 1026392.305 1109127.903 1213468.183 1206373.45 782240.0574 577634.4893 914579.9382 1380996.87 671952.9528 1003093.478 684658.0966 976081.4918 927776.4881 949696.2028 928962.0031 1071473.548 868119.6591 1106250.017 695999.7162 854815.0281 1295709.233 1161359.113 1248361.089 1223450.318 1311975.047 1327367.459 997888.0421 1330213.844 1280981.4 276.6637252 418.8843025 408.6707691 362.5807775 414.9324101 726.5986497 PI(40:5)>PI(18:0_22:5)_feature1 70089.00843 72181.27467 55918.23273 79224.90028 51880.69695 61931.1718 64563.94748 74661.10918 100237.581 62850.48997 53261.61776 44634.47544 70664.59972 54073.99325 67724.24558 59586.21059 55543.02707 57766.05903 41108.67827 66183.30579 59553.84416 87113.68305 69163.54544 66607.66524 63590.15706 73282.71752 42229.79951 52923.67668 50208.08757 74529.58238 55971.88362 55001.41907 42057.2513 42309.27762 68288.99238 74528.31465 27837.64928 52911.11756 64752.59451 57014.38921 23201.87388 67822.08725 48040.02567 48168.15329 50226.13194 40666.70811 50981.93353 35595.32856 52040.26793 45867.97106 53708.02461 41324.82031 57509.00858 48990.77984 54703.75625 60478.98887 42564.9097 60337.62382 59113.4367 51588.96747 52469.80189 52390.52501 58349.39356 303.1772933 277.2771597 274.4748601 285.4714815 278.1802888 257.491542 PI(38:5)>PI(18:1_20:4)_feature1 419247.2768 372650.7736 215138.7088 365881.9229 299112.8128 236582.6902 198337.7661 308991.5383 407753.3708 196638.1314 249644.3003 255816.6116 334079.7224 368732.8327 314837.4059 223804.2551 221104.5467 211217.687 159125.139 362274.1289 208717.199 391295.0952 240311.7074 331840.3987 290318.9346 374029.2353 188451.1219 233557.1687 297895.9781 401847.8797 198758.363 287105.3651 150743.8849 225872.01 204372.3666 259110.5305 217624.0791 261904.4061 200081.8441 207932.1473 250665.6587 427663.5177 164898.47 224951.8925 202366.1822 195352.9223 207982.4138 323911.5932 187599.4869 279659.728 176337.1749 192131.954 157547.7524 153012.6206 270689.4822 259386.5374 252268.8756 258427.5421 248762.3216 260597.6366 256114.4201 287395.6159 247725.7975 496.9657153 470.1254375 514.129115 471.1147258 445.9518528 515.527157 PI(36:3)_feature1 85100.66218 85435.84253 44321.11013 80775.05649 65930.05127 44744.64842 35044.51158 58784.71317 76728.17603 38326.13373 53830.67944 45715.38298 73593.07909 71527.93684 71521.8819 48522.44224 45970.92951 37794.50493 34393.00983 77378.35607 43476.05074 84060.09771 52525.65599 66750.19118 61564.99686 76881.38999 33489.1555 45620.30201 57526.10451 71525.4715 40148.13813 65806.92854 34042.38406 44762.28446 32065.61193 49830.11717 44420.7077 48348.05557 37194.1946 41850.16596 53219.43922 81853.53437 33043.75794 52901.3142 38728.96796 40127.35484 42926.35197 64841.69336 36175.28151 55915.07145 41094.82531 42730.12213 26350.48558 24749.22839 54158.46982 53552.12235 49534.24232 50590.73928 51408.65793 49495.95553 54897.95128 52645.96637 52475.57341 459.6002261 440.9843563 431.4021169 457.7649719 427.6687037 407.8118003 PI(34:2)_feature1 90638.43089 102476.087 55624.36651 97936.9629 76964.99622 67036.63931 47013.62899 74958.22847 99525.41754 56388.99638 82936.85723 57143.43788 82697.49727 79879.75427 83645.62507 69760.34767 65541.4207 53140.295 39992.37536 91445.43421 59403.81151 104903.8235 75301.25285 86412.75194 75236.1748 89573.51629 40381.00347 53559.87873 60616.29618 106053.0648 49839.18219 72577.06844 42832.59078 56876.24321 49830.35887 60437.00508 60490.94828 68141.10809 49926.40946 85515.04421 63778.09435 86759.68835 35846.3918 55215.24133 52246.71666 51527.54853 54131.41361 76088.85769 46235.01935 64077.94875 67852.79426 54235.49641 43023.95131 40388.20419 62909.42995 67740.69159 67531.19975 67259.02172 59990.96595 59008.38131 62111.3394 68039.56108 68846.60476 436.6597017 410.5383813 438.4299434 436.1316264 397.596548 437.1785035 phenylalanine_feature1 51773.08757 54884.05098 32710.1111 31523.73623 37405.12491 34015.16767 24138.30702 44472.81491 30982.35125 41483.87319 36731.06849 37760.66076 36019.26386 43337.38336 44358.80647 41374.45097 30030.51702 56670.5303 25941.19904 65948.48124 40516.93091 64534.87966 22915.25235 32933.21654 56456.8048 48608.79231 28098.70937 29675.02391 26258.77435 64501.47193 24509.71716 39211.74993 32658.07197 40682.75518 29965.39741 37354.66176 28924.41746 35433.96793 33497.28306 40604.75519 42441.93877 63385.71281 23123.95019 46036.27593 38921.98881 20864.94781 43522.7715 44367.72124 33161.0174 26352.45149 46830.13474 52604.54519 37986.32609 32905.71944 38318.25422 40565.79917 35870.42978 33126.69338 40759.84034 37399.18112 41952.86818 36524.17167 36919.28168 74.33861618 1316.996088 1290.041232 61.3554348 1328.156227 1446.448983 PG(40:7)_feature2 69555.01937 61702.23077 45251.69426 47826.27124 51921.98105 46136.24476 39373.09805 55380.73682 58499.04474 52703.9747 52149.38451 62623.01662 53461.529 113136.5449 68879.93117 61188.18027 55349.72391 59223.54389 48232.38308 59659.47688 53034.39098 65169.08177 63464.45912 54264.49918 60817.26858 72924.20188 56181.78431 59651.35211 83826.62296 74318.04889 46367.7158 70217.35892 47975.40218 63722.10459 43230.93493 52808.25151 60654.62531 56326.07365 39250.67742 49194.46409 56026.23476 61383.27637 51200.4411 50958.49527 69979.81624 45196.74455 42937.54326 61686.23854 42963.71468 66904.06464 39633.78791 43695.59761 34876.17836 46110.17435 62441.92991 54374.86335 50690.05252 46262.18705 59061.88827 58868.70801 57493.66983 58691.2926 52107.65482 368.1702416 374.6553315 370.0223795 375.1535071 359.3925504 422.4691638 PG(38:6)>PG(16:0_22:6)_M+NH3_feature2 329617.4449 275602.1934 187545.023 216538.573 260459.9628 254368.6669 156371.7193 308208.2466 236740.6202 244838.8322 264652.4548 377940.2178 293876.9713 477861.0189 342282.4057 213058.0986 203890.8067 267687.6548 197845.1904 340094.5811 281349.8473 351930.2949 277042.2136 336626.4186 283573.7855 362600.1948 224977.2055 329597.8859 418129.1298 450050.0446 220003.07 320352.1229 194075.0923 333374.6182 237382.4896 278716.5275 285861.565 317353.3113 195865.0176 211521.2263 252467.4892 377956.5107 165608.8295 210789.103 200192.8616 185588.1266 234836.7574 284087.2163 179420.0638 265302.0412 175306.3768 204062.1908 119531.0519 148807.6222 273071.6113 300605.7886 277847.2697 259884.7199 271059.7586 261742.9563 313641.1777 266694.675 280599.9456 123.4143185 127.7607605 129.7976107 127.9583645 132.3129787 149.447851 PG(38:5)_M+NH3_feature2 516522.5162 404522.0887 194276.228 325688.2974 365420.3731 299153.8779 215181.9683 418620.2572 295741.6867 328837.7327 316743.2684 417532.0872 304304.4442 632123.2788 394460.8199 227427.366 215332.6105 313711.2563 206134.2783 352193.6692 323405.0051 424640.5533 329849.671 395663.971 353442.0978 457057.7783 228659.5512 354600.92 402435.8469 453497.0521 273779.9473 388099.7978 256286.3235 356606.4224 270049.797 331728.1345 313678.1578 373930.3568 195560.8226 260260.6494 299999.8718 458676.9479 178212.8 233694.368 243804.086 192207.6876 232505.2583 338245.9464 163892.6925 298160.1534 215711.7068 225777.5263 134248.1095 136563.2452 314516.551 311276.8807 293964.5261 312239.6444 314763.8048 314603.4676 303273.5991 314387.4709 306575.3812 165.7470819 159.8648109 155.3969483 158.4435378 152.5516477 148.1766732 PG(38:5)_feature3 29203.12802 24922.37263 11477.92033 23390.02036 22910.02477 22974.95796 10836.98492 33579.32749 6868.905879 29559.39142 23099.75383 35131.13037 31269.42894 44060.07937 30711.54162 13785.82322 17548.30376 25440.18696 19810.0953 24207.08369 18728.10689 36854.73271 26420.42895 29640.03091 4566.51388 40495.35813 22723.15603 29868.84557 34155.19573 36908.14636 10933.36409 29875.53957 21732.27966 28805.98936 4935.743631 37331.80333 6432.566236 31495.29438 18224.98638 25643.40659 31234.63617 39085.55703 3500.544393 25363.57098 22719.96557 4799.09908 29158.11742 38396.7612 9931.187536 28397.57669 17083.83347 14509.43128 3968.871103 6511.115432 24429.56307 26209.10765 30238.24866 28462.82787 28783.8726 27837.98993 24916.54942 23556.03628 27175.34838 154.8053513 240.8536733 210.887309 166.4697688 163.1375223 322.4630317 PG(38:4)>PG(18:0_20:4)_feature2 178159.2392 129714.2269 76681.01346 128806.0948 152098.9858 146722.7166 75942.421 173662.1398 112001.6828 117520.5026 125350.7163 138537.2403 114556.8276 168486.8024 125295.3722 86160.49207 78210.79847 116367.8358 94583.70302 109066.735 98727.71504 115128.3172 118452.6901 135801.6959 132532.3904 136159.4066 97737.96719 100954.211 147645.4231 121328.4596 110098.7379 161864.6376 90610.52991 144253.4501 115120.2476 137614.7413 116200.3495 165665.5141 81753.50365 132738.1249 108863.0652 150036.571 94899.02044 106834.9856 75299.86094 92500.2685 88086.36224 148349.2004 74316.839 152666.2801 75191.68089 115624.3561 49370.88144 66080.25461 113466.58 118166.8521 138338.4575 119099.8119 121561.9344 127058.0072 128979.9253 105331.1647 124576.5874 349.6502705 338.1751928 339.7486514 357.6477404 348.6564621 393.4016345 PG(36:4)_feature3 1868700.283 1367987.619 769144.9482 1145401.348 1295419.78 1199960.293 883942.6977 1640658.816 1095408.58 1196982.804 1016532.547 1496464.272 1011331.807 1875436.39 1291355.959 859273.2841 774544.7041 1077266.285 739157.6402 1224647.347 1118040.181 1372097.906 1225529.314 1502721.725 1209200.78 1379241.632 778890.5042 1179648.615 1427703.704 1654736.878 1166706.86 1670193.078 1015873.099 1371552.747 1098575.717 1340927.957 1415815.559 1646915.456 817062.1489 1137369.5 1139415.618 1835722.334 688836.7569 908915.3309 942299.961 713765.967 915842.0031 1293333.477 672512.0821 1122759.088 845615.9468 989132.5663 586331.5142 587324.8021 1157054.382 1177391.319 1136329.43 1155582.625 1182299.346 1109276.816 1175639.589 1184470.676 1144741.395 398.2198315 357.4298336 373.2761331 382.9073995 357.5708585 340.8145976 PG(36:2)_feature1 1069038.951 1319484.756 1922643.439 1395335.858 1351501.881 1637150.658 1908616.714 1319731.686 1348947.069 1705847.269 1543988.646 1201947.08 1452431.621 1011633.501 1346335.442 1792363.469 1778594.533 1588159.199 1995983.606 1246973.442 1761920.729 1232547.968 1588565.494 1263026.346 1563390.353 1120546.37 2034509.729 1451666.653 1339764.675 1068987.904 1960923.012 1309440.738 2233124.239 1606883.268 1973689.306 1662130.22 1704879.315 1586491.265 2022805.614 1867678.138 1611103.902 1068269.704 2142369.976 1672170.566 1958916.571 2125135.003 1955834.222 1356352.514 1669026.855 1334958.255 2044443.101 1953711.646 2353744.066 2370263.232 1585950.559 1556717.452 1527770.767 1446615.694 1626092.558 1500864.726 1553841.028 1549685.59 1565430.271 154.3291134 135.9708053 135.2747911 144.4839373 138.9675037 130.9893768 PG(30:0)_feature1 486184.7485 286414.1009 378078.7907 382658.183 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397.0693748 332.723031 321.8989061 415.3640824 349.7858327 324.6319993 PA(34:1)_feature2 358471.6397 296602.4411 175012.3643 291904.7095 323632.3906 253021.6926 230845.0191 273701.5613 247813.5785 258968.1804 215776.6007 243828.811 205558.9704 356886.7953 271751.4403 186842.3218 159970.6242 235977.4797 184241.4356 291754.6989 241472.0381 307165.2623 233663.0374 282160.2401 255187.5646 315254.4825 208308.4848 255186.4846 245612.8809 303877.712 260108.0359 318909.9351 229689.2202 284146.2818 219699.541 256775.9094 244634.0775 261283.5388 175583.8237 220739.8275 226857.2672 291303.5412 170634.5624 213324.2387 186995.6243 177198.1717 188627.8862 254247.5892 188189.1885 269761.561 264993.2883 269471.8735 173620.1678 171760.5036 241270.6456 247460.102 238825.1616 256570.9923 249134.953 239974.7983 241342.5453 243011.1316 247959.7701 291.3554201 268.83809 251.8936097 277.5553657 269.2168045 260.2264623 LPE(O-18:2)_feature1 39047.87072 22951.58895 13453.5604 27032.51496 38057.1124 23674.63114 12583.31165 19020.13209 13490.54105 23436.35503 17266.05318 14441.65586 18906.75843 26493.81894 19364.69563 12872.40481 15564.44748 17366.38953 10748.08475 19255.71145 15053.4339 24298.58459 13252.3854 13454.3028 15341.74367 20691.54972 14130.43866 16708.10687 15735.09088 19313.33335 15368.82778 19821.91526 14018.94308 13812.27546 13119.87588 17572.35819 13859.91336 13499.17064 7072.932061 14891.88185 19931.42425 36701.40632 11190.90197 17645.74523 18235.64275 10787.52554 11860.40742 20762.675 10160.70658 19690.06246 27412.01538 27285.15818 17960.85969 17411.17611 19496.04466 17134.54202 17614.54765 17046.45876 18403.12638 18885.30738 16926.31495 17159.80021 19323.75861 174.6712089 345.5324534 371.3995689 160.2551665 246.4991557 395.8068747 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 374548.235 360693.4163 234444.6738 356696.6799 384507.5193 317987.4706 210173.8302 271768.1967 244830.1602 218546.2502 288080.0284 296588.2898 299497.4459 407685.2258 436373.0521 271128.3327 285657.7238 300972.8692 220406.2168 486271.1189 252391.391 310309.1673 267079.2524 275051.5623 248970.2653 438755.4241 245658.8981 362080.38 345690.5668 380568.5215 207956.0911 337997.3184 246698.2509 233296.8251 216121.412 276589.5584 232437.1169 264811.8475 177822.7368 226166.3443 321131.7863 406573.7037 222920.4186 311477.9315 299958.9935 237282.5068 253011.776 372976.0059 237392.7374 376127.978 231984.9544 217133.6394 185122.0712 191856.9187 285300.504 302741.5906 292525.5867 314110.0957 310943.1988 308804.6303 286776.1722 300282.257 292520.9726 278.0053044 278.0039712 355.5183814 260.6759661 298.5983024 414.7956727 LPE(16:0)>LPE(16:0/0:0)_feature2 173502.4417 155450.7391 114088.7698 152644.4423 177525.0201 155215.2019 103236.4322 128520.0127 111803.4139 114067.7469 107841.8573 113649.1485 112914.1002 161757.3677 155319.6715 112692.4471 111571.7827 121469.9041 85072.70002 162642.7084 99329.65685 145784.6969 113465.6829 125734.5411 118256.4362 177201.5789 94810.83946 134482.1709 137571.6888 149266.153 107153.0782 153021.5551 101687.4187 109451.4914 104867.0042 119815.2405 118261.2781 128810.7462 81110.36101 100175.7126 118202.2461 164631.6787 77204.34706 111794.8185 114389.8479 79315.75633 95983.01778 131948.931 81695.1012 123476.9482 103763.9517 94424.39199 89992.64444 84513.03725 124391.376 120006.9894 128285.7585 128063.4842 131446.895 123482.6211 128467.2888 121169.0674 124136.3 206.6080076 619.6530305 663.745515 236.1715362 616.8503657 599.4077643 LPC(26:0)>LPC(26:0/0:0)_and_LPC(0:0/26:0)_feature1and2 35875.02879 26570.94435 31340.42582 34363.68864 47625.00565 42718.09821 15943.38715 24453.87321 17574.42987 25179.93235 42631.49427 25793.54869 41672.12349 48295.73388 51778.55566 37870.74012 38509.61515 36256.17614 26572.82448 50799.76785 31303.16588 39466.33387 21808.3682 26113.30991 36788.37954 43675.39558 36425.11214 41152.79525 31806.77246 41151.95827 17338.94991 23670.94097 23796.79292 24812.20702 21042.87748 27541.22643 15700.7018 27521.98682 18332.57184 17344.82985 34949.68317 28543.23239 21983.01477 29518.27725 27382.38539 23490.31705 33513.6796 34265.7875 27740.32657 33802.64021 11331.51992 14561.78895 12108.02504 12701.86119 35196.39899 28665.65652 31217.97217 25220.5548 31224.22297 31037.53329 33854.01028 29031.34929 31860.0532 156.1721512 151.8243305 154.336816 154.4048186 150.4095938 172.1887154 LPC(24:1)>LPC(24:1/0:0)_feature2 68721.08905 67346.69691 45695.87101 58856.51793 66340.07285 54054.63631 36244.9646 54007.17477 39333.77624 45150.09318 56496.85061 54439.69288 58203.3937 80857.70192 73513.34234 55758.10247 54277.99372 58014.3077 40567.71478 82567.63587 54314.59548 68008.67008 53511.76846 54592.48716 57543.57098 74604.06864 42783.38496 58146.18573 68389.21327 78996.55863 40522.86223 53528.33846 43457.39763 48311.75707 40216.005 44514.9795 59766.62882 49206.18652 39463.33242 42189.61737 52154.71877 59797.88754 38201.78784 50610.76029 49441.97213 38780.40651 45423.8049 62303.46916 39377.86849 56969.79449 47989.13404 42754.31355 36210.65299 33785.07379 55926.91025 54652.89927 54356.6481 53964.71557 51921.37396 57480.06331 53999.56449 54803.05441 55047.03167 184.0201898 225.5816905 240.2031293 175.9454229 221.0457776 209.7731721 LPC(24:0)>LPC(24:0/0:0)_feature2 383803.1692 327414.7232 260861.9142 338717.0783 366125.4574 320807.2071 176676.9753 284981.5443 228608.6514 252155.424 286895.5087 312547.1947 320489.4754 477842.2276 368110.0664 278195.6723 253721.0867 312208.7972 208847.8778 444460.6019 314392.2808 338865.5972 246318.1896 274712.0318 293504.2019 393016.4059 256043.224 328760.1172 333309.9857 407231.7076 208072.0282 298659.7166 199178.4246 252686.7246 208865.7793 249945.243 247943.0283 262644.0398 174614.2708 196370.0178 293291.2536 352112.6461 173062.4395 263340.6129 252441.2913 198742.438 246483.491 311688.5132 205715.7821 335941.3552 208584.0596 225078.2718 150655.3578 163273.832 301070.9432 275467.2451 277309.668 279324.0097 280655.9077 292460.3371 273470.6157 292058.7974 288263.0402 264.9834671 290.0404275 281.8803579 282.9634329 314.055613 307.3594425 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 101870.8443 73752.27589 53342.7674 100978.1751 95034.73186 67405.47116 46037.57406 90818.20037 90056.89683 107594.2025 93056.45901 83844.32393 75588.21971 139234.9995 124720.3734 88241.36327 84666.23335 99375.14792 97009.84127 96226.80829 86842.71707 108946.9422 96961.18438 95515.78565 106665.8739 159427.4239 87459.47034 87774.19684 90272.7204 133593.3196 75625.07119 89787.02047 78606.83035 76942.99181 109634.707 89858.57847 68428.05844 125020.6802 51441.19449 82600.23883 67864.74001 108012.6885 46838.75662 99400.37584 88924.14 69986.46629 95785.71333 122507.1744 88599.13366 108114.9418 85877.5051 94405.58896 76122.91898 92610.66476 101125.7376 82010.00199 86123.83204 93044.72809 99493.98253 99896.32979 94148.41989 80643.21851 94570.44368 125.0338681 1729.486261 2004.430018 140.9883712 1748.200062 1926.887579 LPC(22:1)>LPC(22:1/0:0)_and_LPC(0:0/22:1)_feature1and2 27696.02674 25130.15666 15150.59848 21690.08431 24308.86722 18182.68569 12700.28458 17874.7759 14065.68887 14241.43995 18915.76085 18804.28888 20035.23434 29831.67849 23924.23186 18104.51858 18322.36743 17882.32611 14751.99666 28775.20799 17481.23212 23392.48447 14412.37356 13434.61896 20285.47673 28557.67003 16901.7256 22518.97347 21422.24744 30073.93646 16380.34827 20296.87539 16075.13755 16037.37788 14239.21737 19644.59826 20642.10438 17696.11627 15132.44063 15136.362 20728.65618 23832.87104 14017.7777 20786.5402 17400.35082 15301.67261 17900.00927 21222.76777 19829.05558 22113.94581 21284.53762 21191.81167 14838.04211 15364.94629 19389.18001 20980.04162 16534.17357 18766.42008 18522.38569 17416.00916 19402.60437 18049.94814 20706.83059 361.5207118 423.7859066 419.0850741 358.7497405 413.5909214 500.3494031 LPC(22:0)>LPC(22:0/0:0)_feature2 136950.1219 111345.2583 86314.53693 106926.8457 106485.8558 98350.69774 65824.4175 100948.5555 79239.81367 86424.91415 98834.16546 115202.3452 105858.4612 155458.9987 117943.4808 92517.72532 86967.80735 103949.6771 74479.4733 141642.2188 86340.63915 107917.2771 84621.54518 95994.39543 99227.78606 136648.2976 89253.16802 131641.5347 135996.1627 156524.9912 73911.44415 100005.9712 73998.08402 88929.20144 72517.26938 85764.27308 90605.12765 91574.57674 66969.39793 73232.00665 109172.7628 139199.5122 73651.76533 93446.55587 91173.80127 78330.07278 94088.85274 111767.308 72349.24376 126365.0289 91936.73257 84435.22644 66065.86006 65525.87324 97925.91618 106110.7787 96228.72717 103032.1804 92334.13914 102931.1988 99883.22343 102181.5243 99490.40387 331.0555495 459.3486816 513.1998847 352.9808339 490.0450074 486.4589625 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 691162.4669 1287942.757 853773.0122 1194836.417 1187061.168 1115615.108 770927.3037 827038.9443 643230.0684 1084022.486 953998.7998 703426.8961 844733.3104 1237888.629 1064863.965 495935.6008 708685.8988 769894.8559 728134.5883 1042595.189 1175230.852 925226.2791 1126451.659 1236332.514 1275144.002 1637150.088 789435.927 581926.2466 748960.5538 1126624.573 983619.9966 847875.1223 915672.1367 817279.3091 582598.3199 980897.4929 854247.0508 2014858.033 717166.3996 842912.638 864674.844 1007389.167 504645.5792 756536.2006 842667.81 652735.6855 473879.1522 1124648.904 877503.0702 1377110.58 1274296.566 1229320.9 1230266.468 1139886.371 953294.9 1023921.257 980735.4095 938824.6284 1000519.042 944165.1965 1079218.457 612171.5957 1217671.223 257.3848503 10526.0334 9914.38689 286.9268486 11125.28728 7432.161666 LPC(20:1)>LPC(20:1/0:0)_and_LPC(0:0/20:1)_feature1and2 130517.9607 163912.9577 110030.6478 145030.3002 175684.6361 118026.0848 76302.09355 105210.7711 88455.66683 98851.74807 97774.35223 103115.1309 128081.2108 178876.2961 176013.9966 125263.989 121809.5899 125588.2716 86041.63211 182609.8222 115464.7622 167662.2972 110078.5087 98578.65653 127880.6158 179495.7744 100737.7721 133990.0421 156681.5958 186948.0314 99518.643 146650.3373 112345.9988 101364.8162 97283.72028 88631.83042 118422.7556 103079.3049 80212.77088 100507.4761 106161.6421 151876.0082 66845.14698 110833.2588 109317.5887 76504.05798 95584.68697 150930.1064 80591.10638 136570.933 166152.6832 146523.7286 125271.6089 132658.4513 127471.9476 125212.7276 116239.8862 129412.3771 123759.9938 122057.278 120813.0944 136069.6463 119102.4347 166.7474119 338.3371885 178.2089135 177.3400465 168.5391198 287.1425718 LPC(20:0)>LPC(20:0/0:0)_and_LPC(0:0/20:0)_feature1and2 173016.3428 168683.8423 118751.4636 150057.7605 182770.3307 143148.4126 102201.8097 147439.3925 114661.2488 114085.2598 117425.4985 120859.3784 128370.8384 182584.5036 156300.7874 117658.9312 118658.8884 132261.986 92458.61551 173273.3938 152699.7092 169243.828 102506.0722 132212.4469 135684.6129 152526.8805 117510.4765 150117.7921 158235.3293 190234.6314 116266.7093 140520.7354 94756.98583 107334.3818 109728.4643 117102.045 123724.7628 120281.8452 98579.91921 98913.25301 123122.1141 147993.9635 92662.55388 129078.5442 121203.1921 96451.8924 112882.8375 124933.655 97082.1035 144042.9794 139465.1441 134012.5697 117614.0545 103631.5854 129642.5027 133475.9911 134821.4918 120788.0949 115070.9705 135370.5748 130908.1782 123110.6929 136360.7946 581.1634882 693.1805002 655.927825 576.2253433 664.1720008 803.3262881 LPC(19:0)>LPC(19:0/0:0)_feature2 175711.623 242864.7538 164310.7724 183701.2106 149140.1071 193298.0478 105756.3387 345963.2203 113383.5282 126377.1433 138220.2984 148995.9334 143454.7977 221329.678 219781.0577 128846.2745 150040.9741 139340.9674 114840.8342 232344.4786 213578.5014 251553.9484 118844.0945 102361.5943 321814.5903 211565.082 138405.1055 194455.9358 197221.862 223575.3323 92661.65895 169637.7882 211437.7263 140117.4463 92960.93436 165461.7673 144125.4428 94817.31184 89587.44051 128559.6989 135478.6822 192399.0282 119169.4893 153217.2934 123580.1706 117504.903 157126.5089 186695.8774 130084.8541 215065.9213 209130.8948 159287.861 125803.6705 180643.49 156959.2784 174344.1628 153173.2676 174644.8913 175737.5368 180237.662 168509.8041 189855.9423 134434.9463 251.3924556 327.1125412 326.7016679 233.3926003 294.9623876 464.1399917 LPC(19:0)>LPC(0:0/19:0)_feature1 213260.9555 154713.032 106544.4698 194219.767 239362.7874 124059.0898 141013.2329 182780.5238 138829.6377 142693.6683 59422.34143 64034.99517 63942.36902 137693.06 108397.7778 85997.41366 57920.43602 66767.83558 48035.31963 123723.3515 105537.016 161093.4735 206875.7899 157827.9531 200237.0055 112447.7229 76719.58696 76222.73959 106452.4218 111334.1941 160351.5177 185922.5441 138352.5269 158774.6372 142434.8375 117988.6407 198613.9542 171288.6573 134858.4672 132543.2069 64652.82958 96913.86119 56980.73254 89308.42026 92883.98558 62317.03339 59449.33377 90775.8868 68736.39069 94082.67183 112584.849 180368.5368 141648.6502 192081.1301 135631.8827 104851.4404 106833.4674 111273.9535 99879.77277 88717.96854 113703.8757 105682.7137 141410.2541 210.5119282 281.6916292 253.1625362 222.2680377 238.2349081 433.1894183 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 2056700.638 2372193.685 1467839.929 1522862.715 2048051.255 2661505.383 766628.0444 917121.2068 1618263.959 1351107.057 1410008.595 977614.9761 1078342.055 1056392.695 1543149.533 1739565.428 1923938.405 2147540.17 1350691.781 1936012.608 1496145.596 1906179.541 1312203.999 1846984.355 1903753.452 1988821.222 1189349.977 1013614.405 1123625.791 1815320.191 1178818.75 1213488.784 1544839.815 1063995.104 1546989.918 872963.443 1520355.99 1589450.886 797260.1656 1014665.24 827877.6495 1683830.078 494390.1091 1078411.89 1320222.313 554089.4105 1552203.981 1677358.409 1035255.002 2055488.237 1388464.348 1821352.342 1417232.045 1288817.408 1298285.866 1589999.571 1306124.24 1728160.926 1250559.851 1082517.709 1786424.754 1649923.202 1174858.505 237.7073164 5795.427114 5894.56747 193.2032289 4680.527942 4896.32028 LPC(18:1)>LPC(18:1/0:0)_feature2 1968194.382 2148236.266 2148175.464 2186443.094 2398900.62 2169305.928 1020139.573 1329902.247 1245348.493 1440269.801 1167001.004 1001193.837 1343740.006 2375659.44 1511680.771 1450929.943 1293707.25 1516650.464 882417.7104 2267847.982 1290072.533 1817958.27 1088861.652 1428893.006 1447916.936 2089614.083 1224985.137 1501469.869 1464727.448 1821823.953 1122316.019 1466283.988 1024668.131 1174336.404 1342852.221 1241922.021 1510117.618 1172220.2 986495.729 1082846.6 1124427.562 1449058.743 752249.6221 1087741.424 1057094.197 848622.4537 988923.3986 1262555.075 944604.711 1415652.215 1396560.108 1621056.456 1257795.034 1305941.543 1494605.812 1482659.075 1397631.302 1319238.874 1417386.717 1445941.566 1435119.599 1446211.424 1477748.755 325.5025633 5043.609228 4584.266787 374.7252344 5400.371213 6778.66375 LPC(18:0)>LPC(18:0/0:0)_feature2 40681478 47728464.73 23908294.21 36840207.65 44848495.66 32421836.82 22199675.58 32433385.11 31347488.07 30298645.77 41059632.81 38769554.48 37262857.89 41534312.71 57245226.76 25497270.56 33426214.88 40579868.04 28031153.88 52438206.26 34540679.84 37800667.37 31724428.6 31071134.96 37480283.52 48349125.88 31957301.85 45419525.71 40236198.78 47920698.09 29110319.22 38708505.14 29363350.52 28132336.64 28584075.97 32247766.3 31209754.23 38563871.56 19970894.01 31739546.61 34747060.91 47402194.89 20927227.64 35804029.27 33644636.54 34799173.12 34796864.39 48995554.77 28138865.3 49657076.22 36931954.19 29589820.14 28142272.46 26947905.35 38962549.99 35330474.87 34333388.31 37191121.17 34659822.83 36827334.36 38303478.2 40443990.16 32880819.78 1884.230272 2114.665754 1980.257001 4148.424387 2718.685925 5535.713323 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 478411.6865 519922.4291 368719.5387 422001.6557 481132.3794 414780.839 271703.2853 427467.3989 316844.6688 328320.3141 311664.5455 255042.118 279208.4237 381320.1514 387628.701 252970.9637 273226.0883 298426.5237 214610.786 444633.5801 403189.4101 489487.105 340230.5968 335354.1422 363183.9358 419729.6513 245359.5322 338858.8323 319508.7294 362189.3273 295584.3596 452166.2709 259808.3808 319560.7902 283722.6738 334924.5051 354345.4696 333297.5044 248887.5085 299768.6682 257121.5301 300706.7602 181831.2131 306352.5552 268017.4831 222284.1605 284931.1014 327909.4273 224904.4551 357605.5334 446640.0073 428700.4454 355971.8184 340612.3967 344604.7926 345566.2691 324601.0105 305795.163 325370.1256 331470.335 334493.814 336795.6283 340458.101 207.5106009 384.9682266 402.0718255 202.3884917 359.3115295 526.2212979 LPC(16:1)>LPC(16:1/0:0)_and_LPC(0:0/16:1)_feature1and2 203823.318 176807.219 211796.2364 160254.6296 320379.1022 222199.7442 55079.07706 144288.4887 134612.0553 159398.7811 135718.4325 139403.4637 176022.6197 191989.9474 161572.6554 172661.4223 153671.0261 160807.2521 102561.2173 204222.5072 113344.1366 180219.699 115707.3634 99251.93221 163050.6258 175017.9045 114499.0486 131379.0606 133455.4451 155421.7755 110646.6645 148753.5536 114930.9147 148743.105 120191.4183 96876.96187 134433.1917 162856.2672 69531.59328 115069.4206 133747.2155 255251.2327 83065.33866 165224.1826 80880.68132 89801.03423 87767.04091 104973.923 95398.3615 117437.6761 181574.9975 189602.9833 155228.9799 173630.2835 153192.7924 159873.3308 143620.2833 148394.0789 123618.9869 166422.747 157023.6418 149874.124 149550.1482 183.7789122 19673.29083 19122.39994 190.5510715 22527.97527 23553.63383 LPC(16:0)>LPC(16:0/0:0)_feature2 26629362.28 26218874.06 19009334.83 24636415.24 27833958.92 24169366.04 13832743.09 20746947.03 17291256.1 16830264.28 13140679.78 13750540.01 14900991.79 22105386.01 18868377.31 14573757.56 14309141.89 15617814.2 10785133.09 22940008.91 22034332.77 24324657.13 16558557.23 18978494.59 18908620.27 22200940.91 13659157.05 18060538.05 18410675.43 21590134.94 17439080.61 21788305.77 13598999.29 16678548.29 15914781.26 18832173.14 19513573.95 19858356.11 12784840.05 15509901.44 15071445.36 19296891.48 9101704.894 12829207.87 13737825.09 10534428.81 12145047.78 17621071.86 11254107.6 17204499.59 18312822.51 18914257.36 16473866.47 15486059.52 18409700.89 17602140.5 17433817.59 18553560.43 18587083.75 18050910.25 18373135.54 18356412.11 17365895.92 2096.298453 5548.135044 4886.559491 3780.891811 6078.114256 10155.26109 LPC(15:0)>LPC(15:0/0:0)_and_LPC(0:0/15:0)_feature1and2 208236.6928 172744.3022 203307.9521 178830.6975 196469.1621 194138.8724 155433.7259 167868.9119 174330.9251 126686.3013 163550.0438 142931.4165 153163.6309 126846.9774 161543.8536 170022.5738 156151.2068 154110.4595 152290.7907 185867.1482 174465.8893 162116.3401 165583.6333 179607.4318 154043.9913 181804.8429 139867.8257 176720.3519 185918.2092 173428.7769 173603.7166 175883.5054 159719.3499 156523.4945 161520.5367 195969.4999 174476.6959 181326.5756 153566.0395 153611.8961 158140.2375 168503.2143 160659.5703 148468.5958 167053.2447 139280.1499 159032.0636 145171.1241 140576.4135 186154.0128 191227.1556 180982.7048 179688.0009 169138.4691 173096.0797 188129.6902 177161.8885 177768.733 179034.8545 185264.6876 165368.3592 180190.5106 184611.3604 109.3171662 23279.00255 32829.36727 97.09323635 28951.71953 28785.87902 HexCer(d42:1)>HexCer(d18:1/24:0)_feature2 1421355.881 651865.8056 484746.9712 1056535.414 621194.1907 527531.2316 262591.7594 660535.9689 543197.5166 538464.576 368315.7204 683290.5138 433810.9016 587603.1756 706113.7857 595547.6343 565790.9858 538271.2876 475370.3822 817642.481 600082.3243 587511.698 532894.2796 599110.4734 1030004.852 1083430.397 532003.6007 675451.7252 622536.2038 823887.2769 544666.8718 610053.9875 296725.4246 581040.5564 783493.6772 913015.8244 286254.391 549712.2199 304681.1784 758948.7464 606471.2759 1482070.951 258994.5737 600379.9032 864192.3186 470075.4395 856990.9292 1167570.379 431584.5357 665175.1995 529684.9721 836808.3942 439877.0751 390162.8447 552338.6613 573721.0217 534434.0729 552249.8143 496937.1496 526236.6817 553515.9669 576525.0131 552190.5688 356.4833629 476.8451221 503.3296351 363.3851545 424.0371353 536.2766704 HexCer(d18:0/24:0-OH)_feature1 76355.13451 92582.62019 46236.40153 66169.54827 104082.1355 59586.10495 44364.395 89027.37934 46509.56705 41910.3919 49703.70642 67972.39157 58356.90425 96188.49141 112558.4165 59508.77452 55283.22932 59397.46077 42527.26396 75707.08775 56279.91169 64594.45819 49221.95325 62098.44848 66126.46449 75678.87119 63494.86855 71735.46632 64634.81809 74988.06689 39213.57351 64024.8415 73125.01849 50857.81544 46830.73133 32410.27183 52422.62824 35382.48497 30943.26803 35098.437 63824.16937 86206.45839 41997.13644 53302.15643 51924.05759 44504.62729 40089.17905 57454.74127 34328.34527 77783.09914 63211.87282 43886.5908 26609.7765 43753.27343 60836.40498 59428.74186 38971.03922 74206.53897 77718.76018 47608.8209 58005.56179 47520.9692 66628.25812 261.6558842 340.8094961 365.3135116 265.1146571 321.9932469 382.2428606 HexCer(d40:1)>HexCer(d18:1/22:0)_feature3 235482.1451 204378.6398 168722.7557 187387.0045 211131.5147 195300.5551 82389.48317 193703.3545 192218.2595 212211.638 193677.5184 225953.9099 225538.1294 292286.6188 227346.5835 195666.4078 178337.6869 240783.2387 173197.1827 232990.3615 172241.2366 180559.9748 194065.0655 207225.544 180824.5658 213062.4642 189881.9423 213881.7589 213053.1355 254773.2006 195410.176 207183.3969 173061.1042 208269.4732 163845.9317 197829.1301 208946.5111 200244.9454 173962.6614 144083.4532 192153.1377 238562.8351 142717.7174 202707.4586 185813.6738 173907.3574 185105.2474 207555.0119 161017.6383 219161.5594 221543.5948 237337.7514 198579.6118 207653.5167 199862.5671 184148.872 192389.6725 182858.3644 198125.3171 203916.2986 191662.1931 191803.57 187576.8413 373.8095541 594.4317641 412.5131238 409.6203679 414.9417295 435.5216714 HexCer(d38:1)>HexCer(d18:1/20:0)_feature1 189713.4669 169184.8665 144316.6784 157516.939 166033.1468 147339.9358 141568.7506 191351.3003 144385.7966 114290.4302 153302.2828 163817.5631 182690.856 202959.5424 176717.6018 152087.5092 138136.4953 189783.8536 141060.4587 173161.2818 141838.8135 141615.9795 151354.4603 161746.7604 153304.1783 174463.4728 138226.5804 189090.3053 174507.354 200833.4643 145086.1167 189584.9426 132300.3794 142959.7002 151812.1396 140522.6494 168527.815 153071.9201 120253.4129 138183.2969 143459.5504 200581.1782 118070.0337 161513.991 145494.6814 125143.4219 153275.9794 156646.1462 128799.5042 183210.2696 171549.7957 168004.5674 133719.0156 129126.6811 173317.8907 166800.4017 164748.1228 155516.3797 161697.6773 164539.9361 165349.3736 163811.0955 173776.2627 314.8684894 315.6110106 303.8560412 330.8629657 299.3718875 306.5571938 HexCer(d36:1)>HexCer(d18:1/18:0)_feature1 54542.58532 46537.5835 36208.38724 44127.82494 45344.98707 37031.00707 35898.60775 48549.80513 37364.82621 39337.73051 38382.00314 42645.10853 46594.05657 60581.92753 51917.65162 31023.68803 35957.6307 43059.23466 31841.04643 48070.43173 36620.3224 39658.86662 39513.26433 45489.28043 34887.31386 51973.76869 37986.78324 50360.57924 49281.13639 59726.47076 36460.2731 53642.36846 31881.28801 38462.66799 34795.75924 37041.48543 39200.44413 42371.94968 29698.70151 35329.94373 36804.07854 60678.26555 28215.71343 38747.59553 37373.11032 26192.40112 37151.24641 43377.33159 29650.87563 53262.90919 41305.92349 42203.11582 25260.26239 27657.46641 41799.19201 40059.96351 42163.77253 45708.43763 41921.7461 42613.56703 42924.31948 38940.87867 42777.45159 226.7484899 221.4445026 215.8998081 221.9020461 225.4934477 203.0664141 HexCer(d34:1)>HexCer(d18:1/16:0)_feature1 185248.3441 170644.2886 119719.924 159453.1472 154481.8127 134678.384 112756.3042 146188.5165 117584.2652 125839.1617 146037.3189 161083.5546 102676.5594 189619.558 195029.7819 160876.3383 114107.1899 136538.9709 116959.5571 157138.6494 131946.7518 117730.9265 126839.064 143374.1217 137852.5698 179985.3182 119809.6543 133583.7999 158966.1396 186042.8449 129914.4737 178838.8231 128348.8452 125503.1575 124214.9642 138097.0923 129358.8261 141777.0032 109057.4884 109717.765 125376.2864 195638.4113 101650.0738 135999.0393 127108.235 96242.8437 112294.2466 165237.2013 98373.98292 160258.4565 95877.39495 106888.5603 81087.23079 78350.54604 144939.1642 141726.7323 143041.2035 127995.8208 135018.5178 141804.4864 139432.0645 153566.8735 134913.821 249.4727553 276.303884 261.8025233 258.4813227 262.9387105 289.6035044 EA(22:0)_feature1 412248.2673 321555.298 223626.1145 434129.1128 317734.3825 149594.4808 267274.9701 144943.5342 211095.4047 37405.81983 18148.56051 94535.61708 40149.12284 182556.7497 280638.4016 280023.4355 220342.3339 13511.24812 146730.2747 169903.7939 179820.4524 105524.9452 546591.2473 415788.6412 248331.7632 258426.5336 284726.2705 341891.4771 440563.861 218601.455 314267.8753 180709.2947 190482.7502 445253.132 235343.6054 257815.9845 276530.2947 252044.4062 374989.3018 586406.3307 454113.1169 283401.8913 543555.165 442981.1727 253817.3546 296658.8389 296198.8477 284911.9266 400728.1169 316487.0543 1268.103819 981.5386565 886.7196188 922.5442889 292202.4637 291574.783 271595.0297 259156.9442 269156.0657 283091.768 284448.0415 263571.1143 302118.4263 248.541885 1204.425593 876.9355904 248.7908979 694.3364724 520.8399755 EA(18:0)_feature1 95706751.96 78669148.29 74394749.35 113392476.9 83800691.85 51132217.67 68240077.25 49799265.17 66302026.3 15556388.85 27429092.8 39878896.29 13101826.43 60909696.57 76875806.73 68691635.4 57823743.32 21204483.03 39576004.75 55477629.94 46123150.2 39950179.47 153132473.2 126194573.2 70609998.99 78742859.17 94376691.53 109368960 143926891.7 65314487.11 100274537 65974114.93 46533993.64 93755488.84 60744704.15 80953781.39 126037964.3 92045185.11 106248622 121171753 100371836.6 74930012.53 138767908 102056944.4 74727041.86 72583524.59 70794699.01 90377811.73 102011459.8 99190995.95 155545.9585 161688.5803 110487.3293 134755.4867 85006374.13 83503711.12 81374193.11 78750211.95 76004086.97 82486196.91 80260486.81 82312279.17 86021631.39 173548.6595 120090.8503 190921.2065 217637.1817 118104.8966 177671.6888 EA(17:0)_feature1 1618404.534 1293121.423 1394281.586 2372851.114 1565014.17 949879.8411 1213293.674 877361.7028 1191686.958 253246.8995 142212.6405 562578.7116 203665.2187 1022230.992 1181339.813 1313110.741 1057828.822 90345.54625 645916.6088 1017669.201 691009.2829 701795.0215 2915540.045 2384905.374 1350608.501 1513048.053 1975780.492 2117780.99 2726601.71 1172290.261 1777328.958 1362987.312 810414.4877 1887908.165 922960.1697 1487093.334 3255896.269 1886154.44 2122059.12 2346869.362 1797338.964 1443027.953 2481462.884 1860739.249 1327796.762 1188391.092 1267066.11 1720487.086 2053088.634 1615922.78 17875.94761 16654.92917 16583.03908 17710.70159 1595443.095 1574815.034 1478416.346 1473573.567 1535675.028 1535662.063 1548856.261 1575098.251 1548377.978 3031.054701 72101.94677 71302.92808 3378.015781 82795.60572 77013.16056 EA(15:0)_feature1 412418.7818 271143.0251 300519.1492 546946.6393 314529.3323 238752.5872 249495.933 196658.1085 263146.4789 61590.37458 27782.0597 139284.1047 48557.43258 252248.5145 297654.4541 276418.9813 223338.6387 20378.12297 156990.9007 219901.8629 172844.5159 171305.8946 744555.3034 644105.8749 269306.8727 316321.2812 451322.2223 499764.0618 773463.7152 264603.3325 464584.5038 294043.2631 192038.6699 388033.1759 246830.8098 334946.7879 651375.938 386996.501 627776.0591 451449.9 357195.3189 298073.7918 669107.5873 395526.5701 297115.951 287018.4078 316339.0619 401533.516 538551.9832 498290.3773 1147.002335 871.6817499 1080.650972 508.3386681 353022.0715 352205.8756 339563.8303 341140.4329 338177.0052 348313.3612 350858.3512 347187.519 349679.9509 1114.212492 1440.053639 630.4674748 724.9225808 521.4891632 551.4894459 DG(40:6)>DG(18:0_22:6_0:0)_feature6 110764.7316 66426.88361 38293.8936 143667.5108 95812.57653 34068.68121 27200.18876 53484.85054 33347.20943 35771.09814 51294.7783 64377.88821 64022.4189 95677.25169 73493.60454 48111.72836 48483.95993 63201.6989 33334.50988 89260.92018 43317.39138 56000.16865 42202.18856 58512.18685 52204.92377 67992.63144 38463.32436 50864.23491 59053.64364 114853.1545 42778.3781 61986.00233 35051.92385 40349.38453 33284.01073 47968.74561 47080.06225 55024.75903 25598.1456 39640.20147 58412.58563 175599.2335 27108.53617 44361.28909 51778.78688 27388.38422 46649.1861 59676.95745 31674.50655 70623.07606 51883.53494 61482.30793 44347.85426 42684.89516 57800.87695 55850.98269 51089.1197 50419.39598 52775.97882 55975.68045 55232.86329 57413.17034 53234.96896 147.3150547 190.7713979 193.1635157 163.5955383 165.9446719 258.6265753 DG(40:4)>DG(18:0_22:4_0:0)_feature3 1564957.248 989403.5116 611973.4164 984320.0035 818320.9063 571788.8994 582605.2874 836274.5431 574278.842 503633.5721 742086.6212 746633.2993 756072.7532 1147582.831 900882.2439 677410.1859 626200.3343 799790.6683 552150.5228 1035535.112 724126.4475 757963.2369 599845.9187 820696.8004 786102.366 755690.18 516309.6496 683601.9702 748745.6342 1084680.532 725231.5825 992989.6116 613654.7054 700826.2635 563436.5262 753948.5704 787793.9036 881687.2979 486495.0193 738708.7075 855093.2776 1115231.127 470585.2146 779763.5302 814166.0928 456888.7007 751886.0003 855211.4771 633542.0655 917415.592 905381.9139 947934.0986 778752.291 760994.2631 772377.7812 786683.8416 730001.9994 707734.5186 733941.9719 754822.5464 768673.526 760022.1683 764012.2696 514.7256639 1389.093279 1462.571525 516.666667 1471.319149 1520.950613 DG(38:6)>DG(18:2_20:4_0:0)_M+NH3_feature1 191257.8004 105412.8256 100284.7029 180963.4853 146765.9277 106242.5065 71387.17195 109608.6128 81642.2665 113891.0845 67541.64196 74355.21835 82555.09993 162507.1527 98482.70547 71717.34805 70346.23377 93555.84679 57449.42803 125777.555 81610.43759 128511.6774 85329.94816 90954.20779 94628.05042 98773.27256 69374.02229 79800.16808 101666.9169 139422.0258 105128.9616 103596.9948 76103.42066 99176.60197 75068.46667 94949.06477 72636.96994 94120.75117 54948.3672 88225.23122 86359.67398 161498.6439 64230.12043 80021.44844 85855.326 51991.93199 73679.22285 89369.94787 70252.2224 92995.65225 130036.5851 147372.3227 90383.3117 97822.45083 103746.8528 96837.2234 98089.35281 90738.83658 93907.09088 94037.47131 91673.32692 100765.068 105663.6339 133.4852901 135.1647967 124.1233809 154.6207529 152.8060187 150.2252599 DG(38:5)>DG(18:1_20:4_0:0)_M+NH3_feature2 1376433.724 942618.0067 639484.4547 1149007.183 943220.0987 686929.5417 544925.8476 778552.4731 554286.6017 687783.9632 700860.5671 726854.7083 739521.0843 393750.3649 874464.7766 663855.5665 670586.57 771724.1385 515713.8496 976791.1632 632909.7785 906031.9299 604877.5926 785437.8235 673979.7725 823799.947 545136.2214 720048.0849 716246.0402 1113237.783 645934.3687 886180.0419 552836.3047 604484.4509 546283.383 642697.4631 648111.1687 681173.6001 391604.1741 598768.2683 763160.2796 1197908.355 501552.6965 663845.2587 767420.4372 445856.136 682815.0551 821639.0655 536956.4868 879678.9351 822187.3816 759066.2725 669010.1665 628245.4724 754598.5144 749461.688 700193.266 721839.8971 738163.7238 725147.1128 749823.5864 739087.7477 735327.6111 196.5716828 181.1816909 177.5835326 171.9795973 172.6130019 173.0352127 DG(38:4)>DG(18:0_20:4_0:0)_feature6 9707829.579 5983355.052 5135570.915 8285943.742 6288634.058 4807017.89 4188465.442 5166188.27 4470279.323 5543922.513 5729430.086 6212430.246 5404438.145 8067586.572 6858637.064 5768536.491 5601006.131 6390870.939 4079310.155 7396364.241 5079911.774 6329403.348 4954446.464 6021659.031 5667371.163 6369473.865 4624774.87 5599811.888 5296956.803 8336680.306 5164861.272 6683143.069 4535749.364 4628006.224 4634920.906 5457033.388 5235663.69 5826183.099 3372558.767 5163649.413 6675111.684 8822155.501 4243287.604 5346477.623 6145653.93 3595013.233 5975276.458 5914932.973 4850855.011 6943106.768 6054969.942 6318622.555 5841719.545 5842795.651 5610041.334 5690227.192 5413533.168 5198948.042 5673194.388 5608505.818 5390870.779 5527586.896 5663306.205 779.1668581 1684.729746 1843.693906 804.1042045 1307.339044 2085.990338 DG(38:4)>DG(16:0_22:4_0:0)_M+NH3_feature4 465571.0224 244050.6692 148951.3566 292702.3075 270403.8802 149681.8608 104316.3764 238440.7632 143263.6176 171967.1031 176291.1557 198027.792 178294.7156 340886.5085 222924.8234 138880.9985 139950.6882 129898.3183 109262.6735 257457.7848 157646.8491 190592.3799 136109.1612 198279.9047 164072.5837 189487.8504 119758.4804 154736.1364 165859.1933 336838.3879 183491.2932 263849.5888 125238.1557 182750.2415 132998.674 188760.9968 184226.2579 229277.1665 106022.7678 140763.2247 178048.1882 344345.4728 92105.01686 180634.533 182117.7344 104738.9913 164114.3517 216889.0261 109278.6408 226563.6588 189774.5382 213596.5612 162428.6013 157894.6354 191724.0777 182898.5933 191572.2002 192895.6572 199197.4104 180084.0925 176054.1462 190330.9421 198612.1137 156.5151314 193.0723955 174.7272401 148.072495 175.3294701 257.5529447 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 1293958.711 620185.6548 540577.0964 815143.3427 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294759.5273 347220.7632 107638.1187 118438.9562 178690.7644 200286.317 495454.9544 262946.894 203673.5915 221738.2818 207121.9808 141387.27 216410.3863 385912.1151 385210.8225 763809.4823 608422.5099 243822.9539 388641.6218 471598.364 252411.535 212363.1195 167472.366 188696.9533 123897.9376 309132.8845 69441.51953 151956.6103 129241.2575 68961.34606 174857.5507 160642.329 118954.4983 158718.5834 559129.1849 573759.4107 455574.6786 481964.6846 252242.5603 254970.1158 237816.1009 231240.6209 248183.723 258959.1627 241864.0479 244586.2522 251429.5347 604.5226901 1494.277504 1564.576083 631.7986804 1602.952378 1818.055331 DG(36:3)>DG(18:1_18:2_0:0)_feature3 1051371.342 663702.6848 833464.6789 1555643.477 1054484.349 1003485.915 557843.4472 815515.7339 770239.3623 3378528.062 581678.6338 1049824.863 657468.6052 937162.2997 546707.8719 464495.7202 1059552.692 1216913.793 506685.4276 559217.4819 599037.9096 638224.7662 1309927.734 839384.4438 621750.915 814224.8174 800059.9978 508406.7326 761095.4378 1309068.836 1194860.293 1911475.177 1730138.067 820029.4998 1197317.502 1409451.355 833372.0819 787757.7709 524499.6797 685640.6222 550626.369 1081252.849 393244.6776 616997.8431 570603.748 364362.487 692219.2288 691675.8232 520842.8743 640214.3563 1395121.738 1482110.66 1161655.239 1256381.546 933360.6278 940274.5289 927031.8853 919136.2252 898512.7575 947909.6635 944626.6689 969338.1752 893993.4916 899.9759038 1359.664239 1302.969946 919.1150224 1216.821161 1564.799681 DG(36:2)>DG(18:0_18:2_0:0)_feature3 356334.9182 214767.2587 225659.9175 401137.9334 312160.9409 257009.2059 153501.724 230300.1564 200554.4075 903492.4993 187806.8196 353505.1404 230239.7082 346644.7081 197681.1318 157607.3461 213439.4825 278068.8853 158198.3007 188495.1157 174077.0669 165459.0225 216198.2767 239142.445 170414.5956 311735.6515 171358.4156 181641.2725 255740.2837 432631.1073 281128.0452 485749.8355 376231.9164 233330.8804 290750.2893 340427.208 240286.6964 238701.735 136697.8177 200361.6543 208480.9405 442825.1462 132518.8355 214850.9452 209425.1832 113857.4877 234532.8052 291805.9689 161283.0568 203030.2839 293560.0766 301918.8361 266056.9695 290980.4269 250428.0199 260683.926 242479.4221 238868.615 252738.598 256983.9575 242118.6065 274441.5232 236240.1652 417.6231793 790.921348 904.2095702 410.5435765 618.0253458 993.6811045 DG(36:2)>DG(18:0_18:2_0:0)_feature4 978864.4649 599816.1451 569620.4353 892970.0131 721895.5028 603784.2634 412776.5502 562964.0828 466242.0234 1022530.454 511623.0389 704507.2079 568073.9574 810503.0598 597695.1075 461209.2279 588720.8561 670291.9961 402367.3245 663434.042 484796.7158 607226.4 601346.5012 603065.0532 563897.2239 602175.25 473882.6939 478699.897 531210.2842 870427.4715 715867.7045 879812.294 671713.8764 516649.5541 548184.3003 814808.1557 580495.9721 614111.0237 379203.5069 505008.2215 541257.808 1012573.565 362811.5512 545317.1044 565681.0279 342858.6502 519910.8728 572140.2076 456996.9652 578142.955 877818.602 931065.3495 705902.2786 769265.39 563999.4577 570946.9692 587526.8023 533621.7625 562675.6309 561340.0121 557598.8056 564892.5166 580306.6999 600.5649859 766.042966 712.2719029 639.1222305 643.3666363 994.3443198 DG(36:1)>DG(18:0_18:1_0:0)_feature2 442975.977 257447.4334 217407.2649 338279.7521 255294.1644 192904.6669 152796.6843 234357.6986 184532.2317 427581.2921 204067.557 300790.2544 267209.2091 364188.2521 256240.8854 188877.0803 255971.6011 305447.1252 173665.8185 284463.9219 182874.0591 204218.652 240716.0853 246926.0954 207180.6936 282365.0604 201896.4964 219544.258 246629.6073 431178.7192 261024.2249 376075.7186 255804.2915 197261.8509 212233.6637 293572.7115 233398.3206 235264.9325 146254.6212 213877.0884 248736.5009 394029.7833 146504.8779 221613.0598 215674.1353 135407.6974 207836.8645 287550.3614 182382.0344 274126.3793 311812.4747 320910.37 258120.576 243386.5984 231888.3607 229681.6649 226352.8679 222758.8545 222981.4471 236550.1687 244092.5383 219459.0534 225364.5646 337.5590031 3183.350085 3308.238153 373.9552132 2708.390417 3202.77383 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature3 970569.3007 589049.8211 548029.3518 957496.7245 809140.149 694531.5147 375065.9605 690152.8474 588723.6615 2170741.833 459663.0466 853290.8013 565811.9719 867836.312 509504.714 353671.6418 617386.2035 828902.6163 358511.7197 605481.3439 513346.642 556738.5441 872003.6534 689548.3771 541824.3124 721193.2279 554688.0611 464927.5902 603088.452 1171630.299 882876.0176 1309572.826 1001254.978 649356.2056 754025.3687 1087661.653 671480.8658 728931.7377 377781.7042 495848.6081 485285.3651 936551.3402 265742.4543 446672.8833 409807.1752 285101.8501 457222.7888 625561.759 314859.8477 526584.9359 888215.0757 898776.2866 620994.6965 618485.8165 674434.5208 677461.4873 670477.4367 645932.1368 640708.0035 652749.573 685327.5208 692249.1452 655772.4143 165.7062214 258.8251611 245.4831422 166.9023048 214.6273596 285.978763 DG(34:1)>DG(16:0_18:1_0:0)_M+NH3_feature2 1100417.653 698135.9151 614423.5649 1042012.97 881361.1383 735811.0829 560197.6221 899128.9296 709765.5292 1954750.642 700667.8092 1230004.446 792581.8478 1323959.586 707428.4495 592925.3378 843455.4691 1088121.63 567228.4911 753151.6772 570870.461 591083.9649 929699.2644 767138.7472 679722.9035 886292.8059 785219.635 607193.6005 801271.2208 1256348.913 940200.7792 1193276.591 1036931.531 772076.4196 936370.605 1120735.036 784645.5005 956977.1324 551944.6769 704253.6752 754162.3103 1166456.187 492107.8956 637225.3927 643097.2184 470462.7563 707756.891 887081.5492 500792.2653 701642.2491 878378.2355 923587.8447 694667.2374 730548.5791 770452.6434 803407.6025 772766.802 773727.9278 795699.0486 815609.7411 735013.0303 775898.8681 803000.7614 549.8050259 3414.13181 3111.113896 608.0673216 3658.872275 5005.175378 DG(32:1)>DG(16:0_16:1_0:0)_M+NH3_feature1 186121.5063 151465.3648 143137.8784 188352.588 169399.4825 148026.2007 90555.26006 198333.1439 152533.1865 251876.6611 107731.1346 218898.4528 197876.0715 186566.9073 138134.7702 101654.0453 112238.9067 181652.7089 102995.2562 111766.2554 150036.2883 123633.8986 123643.9829 175834.7217 126780.7281 197540.2765 144709.4042 164210.0908 128894.7537 185726.4032 121570.0689 199494.3859 158641.9358 141090.0344 174324.2872 183552.6524 171415.1744 159963.2078 75405.6241 143137.0215 162570.1956 235823.8838 82806.59288 115934.9213 104508.0592 118114.8896 156729.7706 164063.3928 84624.33868 125239.7599 168023.3583 111128.1544 77188.30778 64909.26251 153477.1936 124313.1332 96405.84922 150252.9019 145289.6851 139679.999 142617.5746 112753.9638 138276.6023 250.1740001 214.9821847 207.7542334 214.1123727 221.1406936 214.4554574 DG(32:0)>DG(16:0_16:0_0:0)_M+NH3_feature2 703075.0456 493668.3623 400458.2561 525548.2845 544965.0484 464465.5135 442142.602 745743.7606 489783.5863 706155.212 475985.1159 643233.5355 506043.4739 921648.6759 529077.3866 433342.0344 450859.2904 633614.6142 435433.3055 541014.3965 446055.5298 468557.506 539934.3721 561436.5521 528380.0883 621859.2833 431280.5057 493886.0609 566741.9399 672475.2812 541822.0842 631919.6372 532282.1409 604858.5468 539297.3137 595264.5727 552629.2604 653986.0975 407430.625 519508.9513 565527.9736 725974.7415 370323.4567 462579.9227 452075.6476 361337.8034 447046.2681 583222.5869 369810.7541 499569.8672 446067.9157 459636.2414 299024.1802 314539.2601 488321.9771 503327.6682 524052.1164 518278.4387 532696.924 514881.0683 495689.7672 472763.6184 525999.979 556.0575226 173857.2567 183553.7275 759.5205251 180860.177 183287.3054 coenzyme(Q8)_feature1 26138.36295 23504.97131 36974.0375 40090.6747 28892.64931 19722.87199 16663.17128 24024.67612 23889.20899 34599.03341 26612.59329 39303.26654 34530.79429 33309.78746 30320.1933 25976.70249 24609.62933 31111.59947 21548.22724 31077.14625 26455.60571 24123.92412 23675.04147 28387.17356 27693.25546 39240.59411 28997.90233 27501.3599 27771.64417 30863.61752 35527.01774 24284.8435 25352.62601 25468.0335 17705.44927 36730.54152 15062.5643 16179.32516 16646.98683 18473.87194 38382.78508 28552.89562 23257.93575 31190.93603 14422.59255 18703.84399 27404.15799 38201.32826 22178.58472 37398.24523 37077.86089 34003.39431 44082.57942 46407.6526 26873.6091 26257.74617 26660.78885 26170.15276 25043.37125 29488.18006 27557.14453 27267.26114 24504.96704 348.911227 819.1151271 735.9175246 378.6463071 505.1812344 960.9070054 cholesterol_M - H2O_feature1 1356167.218 1274312.994 1261224.306 1242203.391 1192981.958 927078.9295 1212038.395 1502861.666 1169421.112 1325228.272 1584579.871 1280316.474 1333217.531 1105095.736 1684229.186 1210180.4 1334356.585 1224437.183 1180045.546 1525373.536 1166805.445 1348578.042 1099192.247 1390077.852 1186687.715 1600358.081 1184814.961 1236231.523 1420581.931 1278841.464 1135563.795 1272765.145 1548302.618 1284565.346 1395327.313 1561808.523 1211069.882 1286973.68 1009748.284 1138927.659 1072324.856 1227499.476 1248522.766 1138697.081 1522748.891 918809.7899 1263682.278 1288118.765 1302456.794 1116536.031 1296879.552 1146744.622 1276920.233 913631.6334 1178725.082 1195447.917 1430252.514 1060213.678 1330085.869 1267234.372 1393079.765 971249.1553 1302532.614 605.9616912 541.7034364 570.2352862 553.5207397 478.2531665 548.4012043 Cer(t42:1)>Cer(t18:0/24:1)_feature1 96758.49205 89974.66906 67110.74368 81761.69753 88075.21576 76947.09161 57128.14393 74517.40208 60862.53696 71069.92278 64931.39108 80000.42176 89300.75456 92371.07609 90327.95627 73931.65859 69778.58893 72211.84519 52830.2444 107753.6902 61859.54914 75764.07593 59530.05934 67550.83632 60896.16245 94523.10717 65699.05323 81820.1469 80432.14832 92363.9991 62160.61093 79258.29874 62870.2869 66608.66599 59178.26925 75416.24373 76548.91927 71401.28352 49919.27103 63602.7166 70473.67171 91215.79365 50510.77849 73183.56698 64933.22708 60749.19899 65221.2285 82843.06756 53930.82245 81961.11051 69119.689 73625.9155 53463.17914 57722.37863 77936.07726 80575.49244 78327.98103 78566.33196 79018.04699 73576.66608 80910.16567 81422.70732 77488.24263 568.5309449 1509.223542 1620.984139 516.9238465 1314.952218 1845.392831 Cer(d43:1)>Cer(d18:1/25:0)_feature1 50969.79217 30395.80511 27713.55215 45977.87277 35760.13463 27278.06677 19910.33641 35202.23751 24305.19944 27165.59746 18455.77073 19025.44764 18625.65926 31094.61642 30810.63884 22663.79665 17961.62237 18343.90024 14152.81167 31788.92431 27136.6822 45173.60413 31146.1395 36883.00519 27524.64534 29352.67371 17498.48217 25310.34228 22858.5312 21844.97638 40320.9895 53113.02344 28075.14002 23163.63526 38056.41862 40378.19666 32560.66201 22834.17784 21704.61139 24636.94324 23186.9994 37997.47508 14584.02965 19228.0973 18519.28545 15954.80246 19809.90116 27008.10951 18775.40435 30274.00699 46129.92186 42174.01466 30028.33291 38161.15025 31768.94632 34040.21092 29620.94875 31969.56946 30381.95379 28093.04548 38361.18961 31411.71427 30033.39641 250.3542572 557.4433916 575.3007114 230.5057166 349.5006195 655.2704256 Cer(d43:1)>Cer(d18:1/25:0)_feature2 94043.39988 99853.78324 78378.16806 84200.09148 105404.121 87458.47274 56320.37834 82710.10762 68517.05032 62331.51171 67075.79493 77149.25091 81185.25431 113782.0062 97311.19692 72903.18687 66001.87775 69449.74237 52470.99786 120979.8228 76835.9207 83802.29547 68176.96461 64804.68466 82405.96799 110228.6012 63828.98412 94365.22302 82205.51242 98269.96225 80913.7064 70418.87391 58641.20976 72261.82466 48211.23714 69543.80247 70040.27322 67476.62863 60044.31519 63011.59361 80317.32348 93174.6548 55450.51275 75197.1501 67667.49085 56478.84216 66410.62058 92619.94935 62206.42307 103563.7221 53779.22131 65583.59288 57378.51559 54376.74899 67723.54016 83873.31173 74897.32547 61015.95266 62318.76641 59568.65904 68890.36869 73578.63182 81812.59481 511.6080643 877.7892403 848.6979204 541.8049272 697.5784372 992.9619941 Cer(d42:3)_feature2 853320.4424 802511.2159 616125.3346 637986.7496 650655.2466 599134.2375 489865.3832 677791.9473 522528.4923 589164.8885 640287.2355 631599.5979 659093.0065 851193.6868 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26002.31992 30567.87496 31489.03901 31595.40687 30773.93317 132.0934866 1674.179652 1764.799316 675.9467574 2994.039876 2948.519519 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)_feature1 C51 H92 D7 N O6 829.7979066 828.7906 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_[iSTD] 8.561 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_feature1 C41 H72 D9 N2 O6 P 738.6450066 737.6377 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[iSTD] 4.255 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 C39 H68 D7 O10 P 742.5594666 741.5522 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[iSTD] 4.257 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_feature1 C38 H67 D7 N O8 P 711.5660366 710.5588 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[iSTD] 4.861 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_feature1 C23 H39 D7 N O7 P 487.3522166 486.3449 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_[iSTD] 2.15 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_feature1 C41 H73 D7 N O8 P 753.6131266 752.6059 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[iSTD] 4.605 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7))_feature1 C26 H45 D7 N O7 P 529.3988666 528.3916 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7))_[iSTD] 2.104 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(9z,d7)/0:0)_feature1 C36 H61 D7 O5 605.5847866 604.5775 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(9z,d7)/0:0)_[iSTD] 6.297 GTInternalStandard_CE(18:1(9z,d7))_feature1 C45 H71 D7 O2 658.6509766 657.6437 GTInternalStandard_CE(18:1(9z,d7))_[iSTD] 9.556 GTInternalStandard_cholesterol(d7)_M-H2O_feature1 C27 H37 D7 376.3949666 375.3877 GTInternalStandard_cholesterol(d7)_[iSTD] 4.545 ubiquinol Q9_feature1 C54 H84 O4 814.6711266 813.6639 Ubiquinol Q9 7.131 Ubiquinol Q10_M+NH3_feature1 C59 H95 N O4 882.7333666 881.7261 Ubiquinol Q10 7.547 TG(60:4)_M+NH3_feature2 C63 H117 N O6 984.8945966 983.8873 TG(60:4)_lp_b 9.536 TG(60:3)_M+NH3_feature2 C63 H119 N O6 986.9106366 985.9034 TG(60:3)_lp_b 9.693 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature4 C63 H105 N O6 972.8002266 971.793 TG(60:10)_lp_d 8.171 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 C63 H105 N O6 972.8002666 971.793 TG(60:10)_lp_c 8.028 TG(58:9)_M+NH3_feature3 C61 H103 N O6 946.7846466 945.7774 TG(58:9)_lp_c 8.031 TG(58:9)_M+NH3_feature2 C61 H103 N O6 946.7845866 945.7773 TG(58:9)_lp_b 7.884 TG(58:8)>TG(18:2_18:2_22:4)_feature4 C61 H105 N O6 948.8002366 947.793 TG(18:2_18:2_22:4)_lp_d 8.158 TG(58:8)_M+NH3_feature2 C61 H105 N O6 948.8013166 947.794 TG(58:8)_lp_b 7.87 TG(58:8)_M+NH3_feature5 C61 H105 N O6 948.8001566 947.7929 TG(58:8)_lp_e 8.315 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature1 C61 H107 N O6 950.8159566 949.8087 TG(58:7)_lp_a 8.161 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 C61 H107 N O6 950.8158666 949.8086 TG(58:7)_lp_c 8.433 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 C61 H107 N O6 950.8158566 949.8086 TG(58:7)_lp_e 8.741 TG(58:6)_M+NH3_feature4 C61 H109 N O6 952.8317066 951.8244 TG(58:6)_lp_d 8.756 TG(58:5)_M+NH3_feature5 C61 H111 N O6 954.8481966 953.8409 TG(58:5)_lp_e 9.191 TG(58:4)_M+NH3_feature5 C61 H113 N O6 956.8627666 955.8555 TG(58:4)_lp_e 9.355 TG(58:4)_M+NH3_feature7 C61 H113 N O6 956.8625966 955.8553 TG(58:4)_lp_g 9.455 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature3 C61 H115 N O6 958.8789666 957.8717 TG(58:3)_lp_c 9.544 TG(58:2)_M+NH3_feature4 C61 H117 N O6 960.8951866 959.8879 TG(58:2)_lp_d 9.677 TG(58:11)_M+NH3_feature1 C61 H99 N O6 942.7544266 941.7472 TG(58:11)_lp_a 7.551 TG(58:10)_M+NH3_feature3 C61 H101 N O6 944.7696666 943.7624 TG(58:10)_lp_c 7.924 TG(58:10)_M+NH3_feature2 C61 H101 N O6 944.7702066 943.7629 TG(58:10)_lp_b 7.759 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature2 C61 H119 N O6 962.9112366 961.904 DG(16:0_18:2)_lp_b 9.844 TG(57:3)_M+NH3_feature2 C60 H113 N O6 944.8623666 943.8551 TG(57:3)_lp_b 9.46 TG(57:2)_M+NH3_feature1 C60 H115 N O6 946.8796266 945.8724 TG(57:2) 9.397 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 948.8940566 947.8868 TG(57:1) 9.768 TG(56:9)_M+NH3_feature2 C59 H99 N O6 918.7542466 917.747 TG(56:9)_lp_b 7.652 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature3 C59 H101 N O6 920.7694966 919.7622 TG(18:2_18:2_20:4)_lp_c 7.88 TG(56:8)_M+NH3_feature5 C59 H101 N O6 920.7694066 919.7621 TG(56:8)_lp_e 8.039 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 C59 H103 N O6 922.7855666 921.7783 TG(16:0_18:1_22:6)_lp_f 8.344 TG(56:7)_feature5 C59 H100 O6 905.7588766 904.7516 TG(56:7)_lp_e 8.163 TG(56:7)_M+NH3_feature3 C59 H103 N O6 922.7761366 921.7689 TG(56:7)_lp_c 7.883 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_feature5 C59 H105 N O6 924.8012466 923.794 TG(56:6)_lp_e 8.769 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_feature4 C59 H105 N O6 924.8012666 923.794 TG(56:6)_lp_d 8.577 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 924.8012866 923.794 TG(56:6)_lp_c 8.474 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature4 C59 H107 N O6 926.8163066 925.809 TG(16:0_18:1_22:4)_lp_d 8.775 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 C59 H107 N O6 926.8162666 925.809 TG(16:0_18:1_22:4)_lp_e 8.913 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature3 C59 H107 N O6 926.8158766 925.8086 TG(16:0_18:1_22:4)_lp_c 8.667 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature1 C59 H107 N O6 926.8154266 925.8082 TG(16:0_18:1_22:4)_lp_a 8.284 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 928.8313466 927.8241 TG(56:4)_lp_d 8.997 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature2 C59 H109 N O6 928.8309066 927.8236 TG(56:4)_lp_b 8.715 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature5 C59 H109 N O6 928.8323666 927.8251 TG(56:4)_lp_e 9.207 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature6 C59 H109 N O6 928.8312866 927.824 TG(56:4)_lp_f 9.325 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_feature5 C59 H111 N O6 930.8476666 929.8404 TG(56:3)_lp_e 9.352 TG(56:2)_M+NH3_feature4 C59 H113 N O6 932.8642966 931.857 TG(56:2)_lp_d 9.531 TG(56:1)_M+NH3_feature2 C59 H115 N O6 934.8791566 933.8719 TG(56:1)_lp_b 9.693 TG(56:1)_M+NH3_feature1 C59 H115 N O6 934.8798566 933.8726 TG(56:1)_lp_a 9.552 TG(55:7)_M+NH3_feature2 C58 H101 N O6 908.7686666 907.7614 TG(55:7)_lp_b 8.016 TG(55:6)_M+NH3_feature2 C58 H103 N O6 910.7840766 909.7768 TG(55:6)_lp_b 8.332 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature4 C58 H105 N O6 912.8009766 911.7937 TG(55:5)_lp_d 8.692 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 912.8010066 911.7937 TG(55:5)_lp_b 8.469 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature1 C58 H105 N O6 912.8010566 911.7938 TG(55:5)_lp_a 8.289 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 914.8169966 913.8097 TG(55:4)_lp_a 8.294 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_feature3 C58 H107 N O6 914.8164066 913.8091 TG(55:4)_lp_c 8.911 TG(55:4)>TG(18:1_18:2_19:1)_and_TG(18:2_18:2_19:0)_and_TG(18:1_18:1_19:2)_M+NH3_feature2 C58 H107 N O6 914.8166666 913.8094 TG(55:4)_lp_b 8.803 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 916.8318266 915.8246 TG(55:3)_lp_c 9.176 TG(55:2)_M+NH3_feature2 C58 H111 N O6 918.8472766 917.84 TG(55:2)_lp_b 9.455 TG(55:1)>TG(18:0_18:1_19:0)_and_TG(16:0_18:1_21:0)_M+NH3_feature2 C58 H113 N O6 920.8640366 919.8568 TG(55:1)_lp_b 9.612 TG(54:8)_M+NH3_feature3 C57 H97 N O6 892.7386766 891.7314 TG(54:8)_lp_c 7.743 TG(54:8)_M+NH3_feature1 C57 H97 N O6 892.7386366 891.7314 TG(54:8)_lp_a 7.576 TG(54:7)>TG(18:2_18:2_18:3)_feature2 C57 H96 O6 877.7279966 876.7207 TG(18:2_18:2_18:3)_lp_b 7.754 TG(54:7)>TG(16:0_16:1_22:6)_and_TG(16:0_18:2_20:5)_M+NH3_feature4 C57 H99 N O6 894.7544566 893.7472 TG(54:7)_lp_d 7.938 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 896.7699866 895.7627 TG(54:6)_lp_a 7.699 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 896.7605266 895.7533 TG(54:6)_lp_d 7.934 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature2 C57 H101 N O6 896.7607566 895.7535 TG(54:6)_lp_b 7.76 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 C57 H101 N O6 896.7701666 895.7629 TG(16:0_18:2_20:4)_lp_e 8.17 TG(54:6)>TG(16:0_16:0_22:6)_feature6 C57 H101 N O6 896.7700566 895.7628 TG(16:0_16:0_22:6)_lp_f 8.361 TG(54:5)>TG(18:1_18:2_18:2)_and_TG(16:0_16:0_22:5)_and_TG(16:0_18:1_20:4)_M+NH3_feature5 C57 H103 N O6 898.7851866 897.7779 TG(54:5)_lp_e 8.492 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 C57 H103 N O6 898.7851566 897.7779 TG(18:1_18:2_18:2)_lp_d 8.283 TG(54:4)>TG(18:1_18:1_18:2)_feature4 C57 H102 O6 883.7742566 882.767 TG(18:1_18:1_18:2)_lp_d 8.605 TG(54:4)_M+NH3_feature6 C57 H105 N O6 900.8008266 899.7936 TG(54:4)_lp_f 8.927 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature5 C57 H107 N O6 902.8165966 901.8093 TG(18:1_18:1_18:1)_lp_e 8.539 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)_feature8 C57 H104 O6 885.7899266 884.7827 TG(54:3)_lp_h 8.951 TG(54:3)>TG(18:0_18:1_18:2)_and_TG(18:1/18:1/18:1)_and_TG(16:0_18:2_20:1)_M+NH3_feature9 C57 H107 N O6 902.8169566 901.8097 TG(54:3)_lp_i 9.043 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature4 C57 H106 O6 887.8064366 886.7992 TG(54:2)_lp_d 9.352 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH3_feature1 C57 H111 N O6 906.8492366 905.842 TG(54:1)_lp_a 8.998 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+NH16_feature4 C57 H111 N O6 906.8489066 905.8416 TG(54:1)_lp_d 9.547 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 882.7544966 881.7472 TG(53:6)_lp_b 7.992 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 882.7542166 881.7469 TG(53:6)_lp_a 7.882 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature1 C56 H101 N O6 884.7697466 883.7625 TG(17:1_18:2_18:2)_lp_a 8.115 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 886.7854566 885.7782 TG(53:4)_lp_c 8.499 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature2 C56 H103 N O6 886.7854666 885.7782 TG(53:4)_lp_b 8.428 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)_feature5 C56 H102 O6 871.7750466 870.7678 TG(53:3)_lp_e 8.831 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature4 C56 H105 N O6 888.8017666 887.7945 TG(53:3)_lp_d 8.747 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 888.8016966 887.7944 TG(53:3)_lp_a 8.356 TG(53:2)_M+NH3_feature3 C56 H107 N O6 890.8176266 889.8104 TG(53:2)_lp_c 9.093 TG(53:2)_M+NH3_feature4 C56 H107 N O6 890.8176666 889.8104 TG(53:2)_lp_d 9.181 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature4 C56 H109 N O6 892.8332066 891.8259 TG(53:1)_lp_d 9.467 TG(52:7)_M+NH3_feature2 C55 H95 N O6 866.7229766 865.7157 TG(52:7)_lp_b 7.599 TG(52:6)>TG(16:1_18:2_18:3)_and_TG(16:2_18:2_18:2)_M+NH3_feature3 C55 H97 N O6 868.7387966 867.7315 TG(52:6)_lp_c 7.712 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature4 C55 H99 N O6 870.7543766 869.7471 TG(16:1_18:2_18:2)_lp_d 7.949 TG(52:5)>TG(16:0_18:2_18:3)_M+NH3_feature5 C55 H99 N O6 870.7543866 869.7471 TG(16:0_18:2_18:3)_lp_e 8.033 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature5 C55 H101 N O6 872.7702066 871.7629 TG(16:1_18:1_18:2)_lp_e 8.292 TG(52:4)>TG(16:0_16:0_20:4)_and_TG(16:1_18:1_18:2)_and_TG(16:0_18:1_18:2)_M+NH3_feature6 C55 H101 N O6 872.7701166 871.7628 TG(52:4)_lp_f 8.513 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature2 C55 H103 N O6 874.7880666 873.7808 TG(52:3)_lp_b 8.172 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature4 C55 H103 N O6 874.7858366 873.7786 TG(52:3)_lp_d 8.622 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 876.8016266 875.7944 TG(52:2)_lp_f 9.07 TG(52:2)>TG(16:0_18:1_18:1)_M+NH3_feature3 C55 H105 N O6 876.7908566 875.7836 TG(16:0_18:1_18:1)_lp_c 8.231 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 876.8014766 875.7942 TG(52:2)_lp_e 8.974 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_feature3 C55 H104 O6 861.7910266 860.7838 TG(52:1)_lp_c 9.368 TG(52:1)_M+NH3_feature1 C55 H107 N O6 878.8066966 877.7994 TG(52:1)_lp_a 8.557 TG(52:1)_M+NH3_feature2 C55 H107 N O6 878.8181766 877.8109 TG(52:1)_lp_b 8.605 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 C55 H109 N O6 880.8329566 879.8257 TG(16:0_16:0_20:0)_lp_c 9.56 TG(51:5)>TG(15:0_18:2_18:3)_and_TG(15:1_18:2_18:2)_M+NH3_feature2 C54 H97 N O6 856.7382466 855.731 TG(51:5)_lp_b 7.86 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)_M+NH3_feature1 C54 H99 N O6 858.7544666 857.7472 TG(51:4) 8.114 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 843.7433666 842.7361 TG(51:3)_lp_c 8.433 TG(51:2)>TG(15:0_18:1_18:1)_and_TG(16:0_17:1_18:1)_and_TG(16:1_17:0_18:1)_M+NH3_feature2 C54 H103 N O6 862.7858366 861.7786 TG(51:2)_lp_b 8.774 LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature3 C54 H105 N O6 864.8020166 863.7947 TG(51:1)_lp_c 9.207 TG(51:0)>TG(16:0_17:0_18:0)_and_TG(16:0_16:0_19:0)_and_TG(15:0_17:0_19:0) M + NH3_feature1 C54 H107 N O6 866.8081666 865.8009 TG(51:0)_lp_a 9.205 TG(51:0)>TG(16:0_17:0_18:0)_and_TG(16:0_16:0_19:0)_and_TG(15:0_17:0_19:0) M + NH3_feature2 C54 H107 N O6 866.8175066 865.8102 TG(51:0)_lp_b 9.481 TG(50:5)_M+NH3_feature2 C53 H95 N O6 842.7232566 841.716 TG(50:5)_lp_b 7.701 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_feature2 C53 H94 O6 827.7121466 826.7049 TG(50:4)_lp_b 7.938 TG(50:3)_feature3 C53 H96 O6 829.7275766 828.7203 TG(50:3)_lp_c 8.241 TG(50:3)_M+NH3_feature1 C53 H99 N O6 846.7536366 845.7464 TG(50:3)_lp_a 7.885 GTInternalStandard_CE(18:1(9z,d7))_M+NH3_feature2 C53 H98 O6 831.7437366 830.7365 TG(50:2)_lp_b 8.566 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_feature3 C53 H98 O6 831.7434466 830.7362 TG(50:2)_lp_c 8.652 TG(50:1)>TG(16:0_16:0_18:1)_feature4 C53 H100 O6 833.7593066 832.752 TG(16:0_16:0_18:1)_lp_d 8.999 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 C53 H105 N O6 852.8014566 851.7942 TG(16:0_16:0_18:0)_lp_c 9.386 TG(49:4)_M+NH3_feature1 C52 H95 N O6 830.7227366 829.7155 TG(49:4) 7.778 TG(49:3)_M+NH3_feature2 C52 H97 N O6 832.7383266 831.7311 TG(49:3)_lp_b 8.068 TG(49:2)_M+NH3_feature3 C52 H99 N O6 834.7542666 833.747 TG(49:2)_lp_c 8.443 TG(49:1)>TG(15:0_16:0_18:0)_and_TG(16:0_16:0_17:1)_and_>TG(16:0_16:1_17:0)_M+NH3_feature1 C52 H101 N O6 836.7700966 835.7628 TG(49:1) 8.788 TG(49:0)>TG(16:0_16:0_17:0)_and_TG(15:0_16:0_18:0)_and_TG(14:0_16:0_19:0)_M+NH3_feature1 C52 H103 N O6 838.7861766 837.7789 TG(49:0) 9.231 TG(48:4)>TG(12:0_18:2_18:2)_M+NH3_feature2 C51 H93 N O6 816.7074366 815.7002 TG(12:0_18:2_18:2)_lp_b 7.622 TG(48:3)_feature2 C51 H92 O6 801.6961066 800.6888 TG(48:23)_lp_b 7.897 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature3 C51 H97 N O6 820.7382566 819.731 TG(48:2)_lp_c 8.247 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_feature3 C51 H96 O6 805.7275266 804.7203 TG(48:1)_lp_c 8.579 TG(48:0)>TG(16:0/16:0/16:0)_and_TG(14:0_16:0_18:0)_M+NH3_feature1 C51 H101 N O6 824.7697566 823.7625 TG(48:0) 9.024 TG(46:4)>TG(10:0_18:2_18:2)_M + NH3_feature1 C49 H89 N O6 788.6763166 787.669 TG(10:0_18:2_18:2) 7.339 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 790.6917266 789.6845 TG(46:3) 7.585 TG(46:2)_M+NH3_feature2 C49 H93 N O6 792.7072366 791.7 TG(46:2)_lp_b 7.899 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 794.7226166 793.7153 TG(46:1)_lp_a 7.859 TG(46:1)>TG(12:0_16:0_18:1)_and_TG(10:0_18:0_18:1)_and_TG(14:0_16:0_16:1)_M+NH3_feature2 C49 H95 N O6 794.7225166 793.7152 TG(46:1)_lp_b 8.203 TG(46:0)>TG(14:0_16:0_16:0)_and_TG(12:0_16:0_18:0)_M+NH3_feature1 C49 H97 N O6 796.7378266 795.7306 TG(46:0) 8.599 TG(44:2)>TG(10:0_16:1_18:1)_M+NH3_feature2 C47 H89 N O6 764.6763366 763.6691 TG(10:0_16:1_18:1)_lp_b 7.588 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature3 C47 H91 N O6 766.6914766 765.6842 TG(10:0_16:0_18:1)_lp_c 7.867 TG(42:5)_M+NH3_feature2 C45 H79 N O6 730.5980266 729.5908 TG(42:5)_lp_b 6.785 TG(42:3)_M + NH3_feature2 C45 H83 N O6 734.6289966 733.6217 TG(42:3)_lp_b 7.11 TG(42:1)_M+NH3_feature1 C45 H87 N O6 738.6605666 737.6533 TG(42:1)_lp_a 7.57 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 740.6757466 739.6685 TG(42:0) 7.878 TG(40:4)>TG(4:0_18:2_18:2)_M+NH3_feature1 C43 H77 N O6 704.5816666 703.5744 TG(4:0_18:2_18:2)_lp_a 6.589 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 C43 H79 N O6 706.5980066 705.5907 TG(4:0_18:1_18:2)_lp_b 6.856 TG(40:2)>TG(4:0_18:1_18:1)_M + NH3_feature2 C43 H81 N O6 708.6137666 707.6065 TG(4:0_18:1_18:1)_lp_b 7.087 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature3 C43 H81 N O6 708.6138066 707.6065 TG(4:0_18:1_18:1)_lp_c 7.146 TG(40:1)_M+NH3_feature2 C43 H83 N O6 710.6293766 709.6221 TG(40:1)_lp_b 7.315 TG(40:1)_M+NH3_feature3 C43 H83 N O6 710.6293666 709.6221 TG(40:1)_lp_c 7.391 TG(38:4)>TG(2:0_18:2_18:2)_M+NH3_feature1 C41 H73 N O6 676.5505266 675.5433 TG(2:0_18:2_18:2) 5.98 TG(38:3)>TG(2:0_18:1_18:2)_M+NH3_feature2 C41 H75 N O6 678.5663566 677.5591 TG(2:0_18:1_18:2)_lp_b 6.564 TG(38:2)>TG(4:0_16:1_18:1)_and_TG(4:0_16:0_18:2)_M+NH3_feature3 C41 H77 N O6 680.5828166 679.5755 TG(38:2)_lp_c 6.853 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature2 C41 H79 N O6 682.5978666 681.5906 TG(4:0_16:0_18:1)_lp_b 6.837 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature3 C41 H79 N O6 682.5982866 681.591 TG(4:0_16:0_18:1)_lp_c 7.084 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 684.6136566 683.6064 TG(38:0)_lp_c 7.396 TG(36:2)>TG(2:0_16:0_18:2)_M+NH3_feature4 C39 H73 N O6 652.5510366 651.5438 TG(2:0_16:0_18:2)_lp_d 6.554 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature4 C39 H75 N O6 654.5667766 653.5595 TG(36:1)_lp_d 6.84 TG(36:0)>TG(4:0_16:0_16:0)_M+NH3_feature4 C39 H77 N O6 656.5824366 655.5752 TG(4:0_16:0_16:0)_lp_d 7.086 TG(34:0)>TG(4:0_14:0_16:0)_M+NH3_feature3 C37 H73 N O6 628.5511666 627.5439 TG(4:0_14:0_16:0)_lp_c 6.839 sphingosine (C18)_feature1 C18 H37 N O2 300.2893566 299.2821 Sphingosine 1.767 sn-glycero-3-phosphocholine_feature1 C8 H20 N O6 P 258.1096566 257.1024 sn-Glycero-3-phosphocholine 0.783 SM(d44:3)_feature1 C49 H95 N2 O6 P 839.6988066 838.6915 SM(d44:3) 6.66 SM(d44:2)_feature1 C49 H97 N2 O6 P 841.7148166 840.7075 SM(d44:2)_lp_a 6.902 SM(d44:2)_feature2 C49 H97 N2 O6 P 841.7147366 840.7075 SM(d44:2)_lp_b 6.982 SM(d44:1)_feature1 C49 H99 N2 O6 P 843.7315866 842.7243 SM(d44:1) 7.199 SM(d43:3)_feature1 C48 H93 N2 O6 P 825.6834666 824.6762 SM(d43:3) 6.419 SM(d43:2)_feature2 C48 H95 N2 O6 P 827.6995966 826.6923 SM(d43:2)_lp_b 6.764 SM(d43:1)_feature1 C48 H97 N2 O6 P 829.7158566 828.7086 SM(d43:1)_lp_a 7.061 SM(d42:3)_feature1 C47 H91 N2 O6 P 811.6683766 810.6611 SM(d42:3)_lp_a 6.017 SM(d42:2)_feature2 C47 H93 N2 O6 P 813.6846166 812.6773 SM(d42:2)_lp_b 6.593 SM(d42:2)_feature1 C47 H93 N2 O6 P 813.6841766 812.6769 SM(d42:2)_lp_a 6.325 SM(d42:1)_feature2 C47 H95 N2 O6 P 815.7002566 814.693 SM(d42:1)_lp_b 6.931 SM(d42:0)_feature1 C47 H97 N2 O6 P 817.7147866 816.7075 SM(d42:0)_lp_a 7.024 SM(d41:2)_feature2and3 C46 H91 N2 O6 P 799.6690666 798.6618 SM(d41:2)_lp_bc 6.516 SM(d41:2)_feature1 C46 H91 N2 O6 P 799.6690666 798.6618 SM(d41:2)_lp_a 6.311 SM(d41:1)_feature1 C46 H93 N2 O6 P 801.6849166 800.6776 SM(d41:1) 6.799 SM(d40:2)_feature1 C45 H89 N2 O6 P 785.6521566 784.6449 SM(d40:2)_lp_a 5.88 SM(d40:2)_feature2 C45 H89 N2 O6 P 785.6524966 784.6452 SM(d40:2)_lp_b 6.122 SM(d40:1-OH)_feature1 C45 H91 N2 O7 P 803.6625966 802.6553 SM(d40:1-OH) 5.435 SM(d40:1)_feature2 C45 H91 N2 O6 P 787.6690066 786.6617 SM(d40:1)_lp_b 6.641 SM(d40:0-OH)_feature1 C45 H93 N2 O7 P 805.6789466 804.6717 SM(d40:0-OH) 6.406 SM(d40:0)_feature1 C45 H93 N2 O6 P 789.6843266 788.6771 SM(d40:0) 6.759 SM(d39:2)_feature2 C44 H87 N2 O6 P 771.6374466 770.6302 SM(d39:2)_lp_b 5.636 SM(d39:2)_feature1 C44 H87 N2 O6 P 771.6372766 770.63 SM(d39:2)_lp_a 5.446 SM(d39:1)_feature2 C44 H89 N2 O6 P 773.6533666 772.6461 SM(d39:1)_lp_b 6.404 SM(d38:4)_feature2 C43 H81 N2 O6 P 753.5873066 752.58 SM(d38:4)_lp_b 4.866 SM(d38:2)_feature2 C43 H85 N2 O6 P 757.6215366 756.6143 SM(d38:2)_lp_b 5.178 SM(d38:2)_feature1 C43 H85 N2 O6 P 757.6215466 756.6143 SM(d38:2)_lp_a 5.015 SM(d38:1)_feature1 C43 H87 N2 O6 P 759.6377166 758.6304 SM(d38:1)_lp_a 5.363 SM(d38:1)_feature2 C43 H87 N2 O6 P 759.6378366 758.6306 SM(d38:1)_lp_b 5.933 SM(d38:0-OH)_feature1 C43 H89 N2 O7 P 777.6471466 776.6399 SM(d38:0-OH) 5.459 SM(d36:2)_feature1 C41 H81 N2 O6 P 729.5904166 728.5831 SM(d36:2) 4.313 SM(d36:1)_feature1 C41 H83 N2 O6 P 731.6067166 730.5994 SM(d36:1) 5.008 SM(d36:0)_feature1 C41 H85 N2 O6 P 733.6217266 732.6145 SM(d36:0) 5.337 SM(d35:1)_feature1 C40 H81 N2 O6 P 717.5905766 716.5833 SM(d35:1) 4.578 SM(d34:1-OH)_feature1 C39 H79 N2 O7 P 719.5690766 718.5618 SM(d34:1-OH) 3.935 SM(d34:2)_feature1 C39 H77 N2 O6 P 701.5591066 700.5518 SM(d34:2) 3.63 SM(d34:1)_feature1 C39 H79 N2 O6 P 703.5750866 702.5678 SM(d34:1) 4.181 SM(d34:0-OH)_feature1 C39 H81 N2 O7 P 721.5848666 720.5776 SM(d34:0-OH) 3.84 SM(d34:0)_feature1 C39 H81 N2 O6 P 705.5898066 704.5825 SM(d34:0) 4.469 SM(d33:1)_feature1 C38 H77 N2 O6 P 689.5583566 688.5511 SM(d33:1) 3.842 SM(d32:1)_feature1 C37 H75 N2 O6 P 675.5434866 674.5362 SM(d32:1) 3.539 SiE(20:4)_feature3 C49 H80 O2 701.6228666 700.6156 Sitosterol Ester(20:4)_lp_c 9.392 PS(40:8)_feature1 C46 H74 N O10 P 832.5119066 831.5046 PS(40:8)_lp_a 3.432 PS(40:7)_feature1 C46 H76 N O10 P 834.5267666 833.5195 PS(40:7) 3.84 PS(40:6)_feature3 C46 H78 N O10 P 836.5423166 835.535 PS(40:6)_lp_c 4.498 PS(40:5)_feature2 C46 H80 N O10 P 838.5583166 837.551 PS(40:5)_lp_b 4.706 PS(40:5)_feature1 C46 H80 N O10 P 838.5583266 837.5511 PS(40:5)_lp_a 4.462 PS(40:4)_feature1 C46 H82 N O10 P 840.5740866 839.5668 PS(40:4) 5.244 PS(38:5)_feature1 C44 H76 N O10 P 810.5269266 809.5197 PS(38:5) 3.995 PS(38:4)>PS(18:0_20:4)_feature2 C44 H78 N O10 P 812.5428666 811.5356 PS(18:0_20:4)_lp_b 4.683 PS(38:3)_feature3 C44 H80 N O10 P 814.5580766 813.5508 PS(38:3)_lp_c 5.037 PS(36:2)_feature4 C42 H78 N O10 P 788.5434366 787.5362 PS(36:2)_lp_d 4.845 PI(40:5)>PI(18:0_22:5)_feature1 C49 H85 O13 P 913.5783466 912.5711 PI(18:0_22:5)_lp_a 4.613 PI(38:5)>PI(18:1_20:4)_feature1 C47 H81 O13 P 885.5477366 884.5405 PI(18:1_20:4)_lp_a 3.907 PI(36:3)_feature1 C45 H81 O13 P 861.5479366 860.5407 PI(36:3)_lp_a 3.999 PI(34:2)_feature1 C43 H79 O13 P 835.5319166 834.5246 PI(34:2) 3.944 phenylalanine_feature1 C9 H11 N O2 166.0836366 165.0764 Phenylalanine 0.775 PG(40:7)_feature2 C46 H80 N O10 P 821.5321266 820.5249 PG(40:7)_lp_b 3.864 PG(38:6)>PG(16:0_22:6)_M+NH3_feature2 C44 H78 N O10 P 812.5423166 811.535 PG(16:0_22:6)_lp_b 3.837 PG(38:5)_M+NH3_feature2 C44 H80 N O10 P 814.5585366 813.5513 PG(38:5)_lp_b 4.035 PG(38:5)_feature3 C44 H77 O10 P 797.5304666 796.5232 PG(38:5)_lp_c 4.262 PG(38:4)>PG(18:0_20:4)_feature2 C44 H79 O10 P 799.5471966 798.5399 PG(18:0_20:4)_lp_b 4.483 PG(36:4)_feature3 C42 H75 O10 P 771.5161566 770.5089 PG(36:4)_lp_c 3.993 PG(36:2)_feature1 C42 H79 O10 P 775.5940066 774.5867 PG(36:2) 4.614 PG(30:0)_feature1 C36 H71 O10 P 695.4851666 694.4779 PG(30:0) 3.875 PE(O-42:6)>PE(O-18:1/24:5)_feature2 C47 H84 N O7 P 806.6066366 805.5994 PE(O-42:6)_lp_b 6.585 PE(O-40:8)>PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 774.5428766 773.5356 PE(O-40:8)_lp_b 4.748 PE(O-40:7)>PE(O-18:2/22:5)_feature3 C45 H78 N O7 P 776.5580166 775.5507 PE(O-40:7)_lp_c 4.914 PE(O-40:7)>PE(O-18:2/22:5)_feature4 C45 H78 N O7 P 776.5578866 775.5506 PE(O-40:7)_lp_d 5.041 PE(O-40:7)>PE(O-18:1/22:6)_feature7 C45 H78 N O7 P 776.5582866 775.551 PE(O-18:1/22:6)_lp_g 5.601 PE(O-40:6)>PE(O-18:2/22:4)_feature2 C45 H80 N O7 P 778.5734266 777.5662 PE(O-40:6)_lp_b 5.603 PE(O-40:6)>PE(O-18:1/22:5)_feature3 C45 H80 N O7 P 778.5734366 777.5662 PE(O-18:1/22:5)_lp_c 5.889 PE(O-40:6)>PE(O-18:1/22:5)_feature5 C45 H80 N O7 P 778.5734966 777.5662 PE(O-18:1/22:5)_lp_e 6.187 PE(O-40:5)>PE(O-18:1/22:4)_feature5 C45 H82 N O7 P 780.5902566 779.583 PE(O-18:1/22:4)_lp_e 6.6 PE(O-40:5)>PE(O-18:1/22:4)_feature3 C45 H82 N O7 P 780.5901866 779.5829 PE(O-18:1/22:4)_lp_c 6.258 PE(O-40:5)>PE(O-18:1/22:4)_feature4 C45 H82 N O7 P 780.5901566 779.5829 PE(O-18:1/22:4)_lp_d 6.419 PE(O-40:5)>PE(O-18:1/22:4)_feature1 C45 H82 N O7 P 780.5905566 779.5833 PE(O-18:1/22:4)_lp_a 5.739 PE(O-40:4)_feature5 C45 H84 N O7 P 782.6060366 781.5988 PE(O-40:4)_lp_e 6.735 PE(O-40:4)_feature4 C45 H84 N O7 P 782.6059966 781.5987 PE(O-40:4)_lp_d 6.519 PE(O-38:7)>PE(O-16:1/22:6)_feature2 C43 H74 N O7 P 748.5277666 747.5205 PE(O-16:1/22:6)_lp_b 4.704 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 750.5417066 749.5344 PE(O-38:6)_lp_b 4.995 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 752.5594766 751.5522 PE(O-18:1/20:4)_lp_f 5.858 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 752.5593666 751.5521 PE(O-16:1/22:4)_lp_e 5.557 PE(O-38:5)_feature1 C43 H78 N O7 P 752.5587266 751.5515 PE(O-38:5)_lp_a 4.843 PE(O-38:5)_feature3 C43 H78 N O7 P 752.5595466 751.5523 PE(O-38:5)_lp_c 5.119 PE(O-38:4)_feature4 C43 H80 N O7 P 754.5743566 753.5671 PE(O-38:4)_lp_d 6.017 PE(O-38:4)_feature3 C43 H80 N O7 P 754.5745066 753.5672 PE(O-38:4)_lp_c 5.709 PE(O-38:4)_feature5 C43 H80 N O7 P 754.5744266 753.5672 PE(O-38:4)_lp_e 6.227 PE(O-38:3)>PE(O-18:2/20:1)_feature3 C43 H82 N O7 P 756.5895566 755.5823 PE(O-18:2/20:1)_lp_c 6.617 PE(O-38:2)>PE(O-18:1/20:1)_feature4 C43 H84 N O7 P 758.6059666 757.5987 PE(O-38:2)_lp_d 6.864 PE(O-37:5)_feature1 C42 H76 N O7 P 738.5429566 737.5357 PE(O-37:5)_lp_a 5.221 PE(O-37:5)_feature2 C42 H76 N O7 P 738.5429166 737.5356 PE(O-37:5)_lp_b 5.391 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 724.5283466 723.5211 PE(O-16:1/20:4)_lp_c 4.931 PE(O-36:4)>PE(O-16:1/20:3)_feature2 C41 H76 N O7 P 726.5426366 725.5354 PE(O-36:4)_lp_b 5.305 PE(O-36:4)>PE(O-16:1/20:3)_feature3 C41 H76 N O7 P 726.5426066 725.5353 PE(O-36:4)_lp_c 5.587 PE(O-36:4)>PE(O-16:1/20:3)_feature4 C41 H76 N O7 P 726.5418666 725.5346 PE(O-36:4)_lp_d 5.432 PE(O-36:3)>PE(O-18:2/18:1)_feature3 C41 H78 N O7 P 728.5586466 727.5514 PE(O-18:2/18:1)_lp_c 5.842 PE(O-36:3)>PE(O-18:2/18:1)_feature6 C41 H78 N O7 P 728.5586766 727.5514 PE(O-18:2/18:1)_lp_f 6.017 PE(O-36:4)_feature1 C41 H76 N O7 P 726.5426166 725.5353 PE(O-36:4)_lp_a 5.136 PE(O-36:2)>PE(O-18:1/18:1)_feature2 C41 H80 N O7 P 730.5745266 729.5673 PE(O-18:1/18:1)_lp_b 6.568 PE(O-35:3)>PE(O-18:2/17:1)_and_PE(O-17:2/18:1)_feature1 C40 H76 N O7 P 714.5437266 713.5365 PE(O-35:3)_lp_a 5.396 PE(O-34:2)>PE(O-16:1/18:1)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 702.5437266 701.5365 PE(O-34:2)_lp_a 5.796 PE(O-34:1)>PE(O-18:1/16:0)_feature2 C39 H78 N O7 P 704.5591566 703.5519 PE(O-18:1/16:0)_lp_b 6.54 PE(O-34:1)_feature1 C39 H78 N O7 P 704.5583366 703.5511 PE(O-34:1)_lp_a 5.909 PE(O-32:1)>PE(O-16:1/16:0)_feature1 C37 H74 N O7 P 676.5275766 675.5203 PE(O-16:1/16:0) 5.736 PE(40:8)_feature1 C45 H74 N O8 P 788.5212966 787.514 PE(40:8) 3.864 PE(40:7)_feature3 C45 H76 N O8 P 790.5366066 789.5293 PE(40:7)_lp_c 4.388 PE(40:7)_feature4 C45 H76 N O8 P 790.5353066 789.528 PE(40:7)_lp_d 5.103 PE(40:6)_feature2 C45 H78 N O8 P 792.5535166 791.5462 PE(40:6)_lp_b 5.173 PE(40:6)_feature1 C45 H78 N O8 P 792.5535866 791.5463 PE(40:6)_lp_a 4.896 PE(40:6)_feature3 C45 H78 N O8 P 792.5513466 791.5441 PE(40:6)_lp_c 5.765 PE(40:5)_feature2 C45 H80 N O8 P 794.5688166 793.5615 PE(40:5)_lp_b 5.17 PE(40:5)_feature4 C45 H80 N O8 P 794.5694266 793.5622 PE(40:5)_lp_d 5.749 PE(40:5)_feature3 C45 H80 N O8 P 794.5686666 793.5614 PE(40:5)_lp_c 5.438 PE(40:4)>PE(18:0_22:4)_feature5 C45 H82 N O8 P 796.5823366 795.5751 PE(18:0_22:4)_lp_e 6.73 PE(40:4)>PE(18:0_22:4)_feature4 C45 H82 N O8 P 796.5846766 795.5774 PE(18:0_22:4)_lp_d 6.315 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 796.5846466 795.5774 PE(18:0_22:4)_lp_b 6.016 PE(38:6)_feature3 C43 H74 N O8 P 764.5213666 763.5141 PE(38:6)_lp_c 4.336 PE(38:6)_feature2 C43 H74 N O8 P 764.5215066 763.5142 PE(38:6)_lp_b 4.012 PE(38:6)_feature5 C43 H74 N O8 P 764.5198966 763.5126 PE(38:6)_lp_e 4.727 PE(38:5)>PE(18:1_20:4)_feature2 C43 H76 N O8 P 766.5347566 765.5275 PE(18:1_20:4)_lp_b 4.056 PE(38:5)>PE(18:1_20:4)_feature3 C43 H76 N O8 P 766.5372966 765.53 PE(18:1_20:4)_lp_c 4.593 PE(38:5)_feature5 C43 H76 N O8 P 766.5382066 765.5309 PE(38:5)_lp_e 4.863 PE(38:5)_feature8 C43 H76 N O8 P 766.5350666 765.5278 PE(38:5)_lp_i 5.54 PE(38:5)>PE(18:1_20:4)_feature7 C43 H76 N O8 P 766.5352866 765.528 PE(18:1_20:4)_lp_g 5.362 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 768.5538266 767.5466 PE(18:0_20:4)_lp_e 5.406 PE(38:4)>PE(18:0_20:4)_feature4 C43 H78 N O8 P 768.5538166 767.5465 PE(18:0_20:4)_lp_d 5.108 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 770.5692266 769.562 PE(18:0_20:3)_lp_c 5.771 PE(38:3)>PE(18:0_20:3)_feature2 C43 H80 N O8 P 770.5690966 769.5618 PE(18:0_20:3)_lp_b 5.502 PE(38:3)>PE(18:0_20:3)_feature1 C43 H80 N O8 P 770.5668466 769.5596 PE(18:0_20:3)_lp_a 5.229 PE(38:3)>PE(18:0_20:3)_feature4 C43 H80 N O8 P 770.5692266 769.562 PE(18:0_20:3)_lp_d 6.048 PE(36:5)_feature2 C41 H72 N O8 P 738.5058466 737.4986 PE(36:5)_lp_b 3.883 PE(36:5)_feature5 C41 H72 N O8 P 738.5044966 737.4972 PE(36:5)_lp_e 4.646 PE(36:4)>PE(16:0_20:4)_feature3 C41 H74 N O8 P 740.5226866 739.5154 PE(16:0_20:4)_lp_c 4.541 PE(36:4)>PE(16:0_20:4)_feature5 C41 H74 N O8 P 740.5196766 739.5124 PE(16:0_20:4)_lp_e 5.322 PE(36:4)_feature1 C41 H74 N O8 P 740.5213266 739.5141 PE(36:4)_lp_a 4.131 PE(36:3)_feature1 C41 H76 N O8 P 742.5384766 741.5312 PE(36:3)_lp_a 4.711 PE(36:2)>PE(18:0_18:2)_feature2 C41 H78 N O8 P 744.5545166 743.5472 PE(18:0_18:2)_lp_b 5.548 PE(36:2)>PE(18:2_18:0)_feature2 C41 H78 N O8 P 744.5545766 743.5473 PE(36:2)_lp_b 5.379 PE(36:1)_feature3 C41 H80 N O8 P 746.5700966 745.5628 PE(36:1)_lp_c 6.227 PE(34:2)_feature2 C39 H74 N O8 P 716.5223666 715.5151 PE(34:2)_lp_b 4.658 PE(34:1)_feature1 C39 H76 N O8 P 718.5379266 717.5307 PE(34:1)_lp_a 5.308 PC(O-42:6)_feature3 C50 H90 N O7 P 848.6519766 847.6447 PC(O-42:6)_lp_c 5.81 PC(O-40:7)_feature1 C48 H84 N O7 P 818.6045466 817.5973 PC(O-40:7)_lp_a 4.618 PC(O-40:7)_feature3 C48 H84 N O7 P 818.6049166 817.5976 PC(O-40:7)_lp_c 5.31 PC(O-40:6)_feature3 C48 H86 N O7 P 820.6205466 819.6133 PC(O-40:6)_lp_c 5.483 PC(O-40:6)_feature1 C48 H86 N O7 P 820.6202566 819.613 PC(O-40:6)_lp_a 4.877 PC(O-40:6)_feature5 C48 H86 N O7 P 820.6206166 819.6133 PC(O-40:6)_lp_e 5.571 PC(O-40:4)_feature1 C48 H90 N O7 P 824.6523066 823.645 PC(O-40:4)_lp_a 6.117 PC(O-40:4)_feature3 C48 H90 N O7 P 824.6523466 823.6451 PC(O-40:4)_lp_c 6.544 PC(O-40:4)_feature2 C48 H90 N O7 P 824.6522866 823.645 PC(O-40:4)_lp_b 6.314 PC(O-38:7)_feature1 C46 H80 N O7 P 790.5734766 789.5662 PC(O-38:7)_lp_a 4.128 PC(O-38:7)_feature2 C46 H80 N O7 P 790.5726266 789.5654 PC(O-38:7)_lp_b 4.455 PC(O-38:7)_feature7 C46 H80 N O7 P 790.5746066 789.5673 PC(O-38:7)_lp_g 6.062 PC(O-38:6)_feature1 C46 H82 N O7 P 792.5888666 791.5816 PC(O-38:6)_lp_a 4.224 PC(O-38:6)_feature2 C46 H82 N O7 P 792.5889166 791.5816 PC(O-38:6)_lp_b 4.591 PC(O-38:6)_feature3 C46 H82 N O7 P 792.5889466 791.5817 PC(O-38:6)_lp_c 4.707 PC(O-38:5)_feature3 C46 H84 N O7 P 794.6053266 793.5981 PC(O-38:5)_lp_c 5.555 PC(O-38:5)_feature1 C46 H84 N O7 P 794.6055666 793.5983 PC(O-38:5)_lp_a 4.84 PC(O-38:5)_feature2 C46 H84 N O7 P 794.6053066 793.598 PC(O-38:5)_lp_b 5.252 PC(O-38:4)_feature6 C46 H86 N O7 P 796.6206866 795.6134 PC(O-38:4)_lp_f 5.731 PC(O-38:4)_feature4 C46 H86 N O7 P 796.6205766 795.6133 PC(O-38:4)_lp_d 5.409 PC(O-38:3)_feature2 C46 H88 N O7 P 798.6371066 797.6298 PC(O-38:3)_lp_b 6.086 PC(O-38:2)_feature4 C46 H90 N O7 P 800.6530666 799.6458 PC(O-38:2)_lp_d 6.603 PC(O-37:5)_feature2 C45 H82 N O7 P 780.5888366 779.5816 PC(O-37:5)_lp_b 5.097 PC(O-37:5)_feature1 C45 H82 N O7 P 780.5893566 779.5821 PC(O-37:5)_lp_a 4.911 PC(O-36:5)_feature1 C44 H80 N O7 P 766.5722466 765.565 PC(O-36:5)_lp_a 4.093 PC(O-36:5)_feature5 C44 H80 N O7 P 766.5719866 765.5647 PC(O-36:5)_lp_e 4.663 PC(O-36:5)_feature2 C44 H80 N O7 P 766.5721366 765.5649 PC(O-36:5)_lp_b 4.302 PC(O-36:4)_feature4 C44 H82 N O7 P 768.5902966 767.583 PC(O-36:4)_lp_d 4.809 PC(O-36:4)_feature1 C44 H82 N O7 P 768.5898266 767.5826 PC(O-36:4)_lp_a 4.346 PC(O-36:4)_feature2 C44 H82 N O7 P 768.5884566 767.5812 PC(O-36:4)_lp_b 4.562 PC(O-36:3)_feature3 C44 H84 N O7 P 770.6052966 769.598 PC(O-36:3)_lp_c 5.515 PC(O-36:3)_feature2 C44 H84 N O7 P 770.6048866 769.5976 PC(O-36:3)_lp_b 5.164 PC(O-36:3)_feature1 C44 H84 N O7 P 770.6041566 769.5969 PC(O-36:3)_lp_a 4.975 PC(O-36:2)_feature2 C44 H86 N O7 P 772.6205766 771.6133 PC(O-36:2)_lp_b 5.864 PC(O-36:1)_feature1 C44 H88 N O7 P 774.6449166 773.6376 PC(O-36:1)_lp_a 5.792 PC(O-36:1)_feature2 C44 H88 N O7 P 774.6372866 773.63 PC(O-36:1)_lp_b 6.037 PC(O-36:1)_feature3 C44 H88 N O7 P 774.6378166 773.6305 PC(O-36:1)_lp_c 6.428 PC(O-36:1)_feature4 C44 H88 N O7 P 774.6378066 773.6305 PC(O-36:1)_lp_d 6.777 PC(O-36:0)_feature1 C44 H90 N O7 P 776.6530466 775.6458 PC(O-36:0) 6.815 PC(O-34:2)_feature2 C42 H82 N O7 P 744.5903066 743.583 PC(O-34:2)_lp_b 5.482 PC(O-34:2)_feature1 C42 H82 N O7 P 744.5886666 743.5814 PC(O-34:2)_lp_a 4.909 PC(O-34:1)_feature2 C42 H84 N O7 P 746.6061166 745.5988 PC(O-34:1)_lp_b 5.581 PC(O-34:1)_feature4 C42 H84 N O7 P 746.6061766 745.5989 PC(O-34:1)_lp_d 6.32 PC(O-34:0)_feature1 C42 H86 N O7 P 748.6215566 747.6143 PC(O-34:0) 6.425 PC(O-33:0)_feature3 C41 H84 N O7 P 734.6053866 733.5981 PC(O-33:0) 5.834 PC(O-33:0)_feature4 C41 H84 N O7 P 734.6053766 733.5981 PC(O-33:0)_lp_d 6.021 PC(O-32:2)_feature1 C40 H78 N O7 P 716.5578166 715.5505 PC(O-32:2)_lp_a 4.129 PC(O-32:1)_feature2 C40 H80 N O7 P 718.5747966 717.5675 PC(O-32:1)_lp_b 5.423 PC(O-32:1)_feature1 C40 H80 N O7 P 718.5741766 717.5669 PC(O-32:1)_lp_a 4.834 PC(O-32:0)_feature1 C40 H82 N O7 P 720.5904166 719.5831 PC(O-32:0) 5.552 PC(O-31:0)_feature2 C39 H80 N O7 P 706.5739566 705.5667 PC(O-31:0)_lp_b 5.098 PC(O-30:0)_feature1 C38 H78 N O7 P 692.5584166 691.5511 PC(O-30:0) 4.675 PC(46:5)_feature2 C54 H98 N O8 P 920.7099366 919.7027 PC(46:5)_lp_b 6.926 PC(44:8)_feature2 C52 H88 N O8 P 886.6313466 885.6241 PC(44:8)_lp_b 4.797 PC(44:5)_feature2 C52 H94 N O8 P 892.6779366 891.6707 PC(44:5)_lp_b 6.639 PC(44:4)_feature2 C52 H96 N O8 P 894.6935666 893.6863 PC(44:4)_lp_b 6.946 PC(44:12)_feature1 C52 H80 N O8 P 878.5690066 877.5617 PC(44:12) 3.43 PC(44:10)_feature1 C52 H84 N O8 P 882.5998366 881.5926 PC(44:10) 4 PC(42:9)_feature3 C50 H82 N O8 P 856.5839866 855.5767 PC(42:9)_lp_c 3.95 PC(42:9)_feature2 C50 H82 N O8 P 856.5839166 855.5766 PC(42:9)_lp_b 3.751 PC(42:8)_feature2 C50 H84 N O8 P 858.5993166 857.592 PC(42:8)_lp_b 4.178 PC(42:7)_feature2 C50 H86 N O8 P 860.6152166 859.6079 PC(42:7)_lp_b 4.62 PC(42:7)_feature4 C50 H86 N O8 P 860.6152066 859.6079 PC(42:7)_lp_d 4.903 PC(42:6)_feature4 C50 H88 N O8 P 862.6310166 861.6237 PC(42:6)_lp_d 5.839 PC(42:6)_feature1 C50 H88 N O8 P 862.6312666 861.624 PC(42:6)_lp_a 4.919 PC(42:6)_feature3 C50 H88 N O8 P 862.6312266 861.624 PC(42:6)_lp_c 5.446 PC(42:6)_feature2 C50 H88 N O8 P 862.6310966 861.6238 PC(42:6)_lp_b 5.23 PC(42:5)_feature3 C50 H90 N O8 P 864.6466966 863.6394 PC(42:5)_lp_c 5.748 PC(42:5)_feature6 C50 H90 N O8 P 864.6467066 863.6394 PC(42:5)_lp_f 6.011 PC(42:5)_feature1 C50 H90 N O8 P 864.6467066 863.6394 PC(42:5)_lp_a 5.592 PC(42:4)_feature3 C50 H92 N O8 P 866.6626766 865.6554 PC(42:4)_lp_c 6.408 PC(42:4)_feature5 C50 H92 N O8 P 866.6626566 865.6554 PC(42:4)_lp_e 6.684 PC(42:3)_feature1 C50 H94 N O8 P 868.6784566 867.6712 PC(42:3)_lp_a 6.695 PC(42:2)_feature1 C50 H96 N O8 P 870.6943566 869.6871 PC(42:2)_lp_a 6.895 PC(42:2)_feature2 C50 H96 N O8 P 870.6943266 869.6871 PC(42:2)_lp_b 6.987 PC(42:1)_feature2 C50 H98 N O8 P 872.7106966 871.7034 PC(42:1)_lp_b 7.174 PC(41:6)_feature3 C49 H86 N O8 P 848.6161366 847.6089 PC(41:6)_lp_c 5.378 PC(41:3)_feature1 C50 H80 N O8 P 854.5690366 853.5618 PC(41:3) 3.561 PC(41:2)_feature3 C49 H94 N O8 P 856.6788066 855.6715 PC(41:2)_lp_c 6.865 PC(41:1)_feature1 C49 H96 N O8 P 858.6944666 857.6872 PC(41:1) 7.043 PC(40:8)_feature1 C48 H80 N O8 P 830.5686666 829.5614 PC(40:8) 3.711 PC(40:7)_feature4 C48 H82 N O8 P 832.5825166 831.5752 PC(40:7)_lp_d 4.44 PC(40:7)_feature1 C48 H82 N O8 P 832.5829966 831.5757 PC(40:7)_lp_a 3.868 PC(40:7)_feature2 C48 H82 N O8 P 832.5826066 831.5753 PC(40:7)_lp_b 3.997 PC(40:7)_feature3 C48 H82 N O8 P 832.5831366 831.5759 PC(40:7)_lp_c 4.162 PC(40:6)_feature3 C48 H84 N O8 P 834.6001366 833.5929 PC(40:6)_lp_c 4.912 PC(40:5)_feature3 C48 H86 N O8 P 836.6149966 835.6077 PC(40:5)_lp_c 5.172 PC(40:5)_feature1 C48 H86 N O8 P 836.6149566 835.6077 PC(40:5)_lp_a 4.901 PC(40:5)_feature4 C48 H86 N O8 P 836.6150466 835.6078 PC(40:5)_lp_d 5.485 PC(40:4)_feature1 C48 H88 N O8 P 838.6324966 837.6252 PC(40:4)_lp_a 5.537 PC(40:4)_feature3 C48 H88 N O8 P 838.6324466 837.6252 PC(40:4)_lp_c 6.066 PC(40:4)_feature2 C48 H88 N O8 P 838.6324866 837.6252 PC(40:4)_lp_b 5.764 PC(40:2)_feature3 C48 H92 N O8 P 842.6621066 841.6548 PC(40:2)_lp_c 6.729 PC(40:2)_feature2 C48 H92 N O8 P 842.6620566 841.6548 PC(40:2)_lp_b 6.609 PC(40:1)_feature1 C48 H94 N O8 P 844.6776066 843.6703 PC(40:1) 6.919 PC(40:0)_feature1 C48 H96 N O8 P 846.6947766 845.6875 PC(40:0) 7.161 PC(39:6)_feature4 C47 H82 N O8 P 820.5807666 819.5735 PC(39:6)_lp_d 4.85 PC(39:6)_feature3 C47 H82 N O8 P 820.5837966 819.5765 PC(39:6)_lp_c 4.51 PC(39:6)_feature8 C47 H82 N O8 P 820.5842566 819.577 PC(39:6)_lp_h 5.427 PC(39:5)_feature3 C47 H84 N O8 P 822.5998166 821.5925 PC(39:5)_lp_c 4.734 PC(39:5)_feature8 C47 H84 N O8 P 822.5993166 821.592 PC(39:5)_lp_h 5.869 PC(39:5)_feature7 C47 H84 N O8 P 822.6000066 821.5927 PC(39:5)_lp_g 5.74 PC(39:5)_feature6 C47 H84 N O8 P 822.5996666 821.5924 PC(39:5)_lp_f 5.509 PC(39:4)_feature4 C47 H86 N O8 P 824.6156066 823.6083 PC(39:4)_lp_d 5.418 PC(39:4)_feature5 C47 H86 N O8 P 824.6156266 823.6084 PC(39:4)_lp_e 5.606 PC(39:4)_feature8 C47 H86 N O8 P 824.6161366 823.6089 PC(39:4)_lp_h 6.564 PC(39:4)_feature3 C47 H86 N O8 P 824.6146566 823.6074 PC(39:4)_lp_c 5.291 PC(38:7)_feature2 C46 H78 N O8 P 804.5526866 803.5454 PC(38:7)_lp_b 3.605 PC(38:6)_feature1 C46 H80 N O8 P 806.5690466 805.5618 PC(38:6)_lp_a 3.839 PC(38:6)_feature2 C46 H80 N O8 P 806.5691066 805.5618 PC(38:6)_lp_b 4.129 PC(38:5)_feature5 C46 H82 N O8 P 808.5839866 807.5767 PC(38:5)_lp_e 4.613 PC(38:5)_feature3 C46 H82 N O8 P 808.5839866 807.5767 PC(38:5)_lp_c 4.363 PC(38:4)_feature4 C46 H84 N O8 P 810.6008666 809.5936 PC(38:4)_lp_d 5.143 PC(38:4)_feature3 C46 H84 N O8 P 810.6007666 809.5935 PC(38:4)_lp_c 4.864 PC(38:3)_feature3 C46 H86 N O8 P 812.6159466 811.6087 PC(38:3)_lp_c 5.504 PC(38:3)_feature2 C46 H86 N O8 P 812.6149466 811.6077 PC(38:3)_lp_b 5.233 PC(38:3)_feature4 C46 H86 N O8 P 812.6159766 811.6087 PC(38:3)_lp_d 5.796 PC(38:2)_feature1 C46 H88 N O8 P 814.6223966 813.6151 PC(38:2)_lp_a 5.248 PC(38:2)_feature7 C46 H88 N O8 P 814.6307866 813.6235 PC(38:2)_lp_g 6.215 PC(38:2)_feature4 C46 H88 N O8 P 814.6309266 813.6237 PC(38:2)_lp_d 5.984 PC(38:1)_feature1 C46 H90 N O8 P 816.6465466 815.6393 PC(38:1) 6.63 PC(38:0)_feature1 C46 H92 N O8 P 818.6627366 817.6555 PC(38:0) 6.906 PC(37:6)_feature5 C45 H78 N O8 P 792.5527866 791.5455 PC(37:6)_lp_d 4.62 PC(37:6)_feature1 C45 H78 N O8 P 792.5526166 791.5453 PC(37:6)_lp_a 3.801 PC(37:4)_feature3 C45 H82 N O8 P 796.5843366 795.5771 PC(37:4)_lp_c 4.713 PC(37:4)_feature5 C45 H82 N O8 P 796.5841766 795.5769 PC(37:4)_lp_e 5.601 PC(37:3)_feature4 C45 H84 N O8 P 798.6009966 797.5937 PC(37:3)_lp_d 6.156 PC(37:3)_feature1 C45 H84 N O8 P 798.6002866 797.593 PC(37:3)_lp_a 4.861 PC(37:3)_feature2 C45 H84 N O8 P 798.5990066 797.5917 PC(37:3)_lp_b 5.105 PC(37:2)_feature2 C45 H86 N O8 P 800.6155966 799.6083 PC(37:2)_lp_b 5.756 PC(37:2)_feature1 C45 H86 N O8 P 800.6154766 799.6082 PC(37:2)_lp_a 5.551 PC(37:1)_Feature2 C45 H88 N O8 P 802.6310066 801.6237 PC(37:1)_lp_b 6.23 PC(37:1)_feature3 C45 H88 N O8 P 802.6310266 801.6238 PC(37:1)_lp_c 6.401 PC(37:0)_feature5 C45 H90 N O8 P 804.5887566 803.5815 PC(37:0)_lp_e 6.739 PC(36:6)_feature3 C44 H76 N O8 P 778.5376766 777.5304 PC(36:6)_lp_c 3.51 PC(36:6)_feature2 C44 H76 N O8 P 778.5377466 777.5305 PC(36:6)_lp_b 3.375 PC(36:5)_feature2 C44 H78 N O8 P 780.5529166 779.5456 PC(36:5)_lp_b 3.744 PC(36:5)_feature6 C44 H78 N O8 P 780.5587766 779.5515 PC(36:5)_lp_f 5.076 PC(36:5)_feature3 C44 H78 N O8 P 780.5529566 779.5457 PC(36:5)_lp_c 3.875 PC(36:4)_feature6 C44 H80 N O8 P 782.5678566 781.5606 PC(36:4)_lp_f 5.242 PC(36:4)_feature3 C44 H80 N O8 P 782.5689166 781.5616 PC(36:4)_lp_c 4.311 PC(36:4)_feature2 C44 H80 N O8 P 782.5688266 781.5616 PC(36:4)_lp_b 3.937 PC(36:3)_feature1 C44 H82 N O8 P 784.5841166 783.5768 PC(36:3)_lp_a 3.866 PC(36:3)_feature2 C44 H82 N O8 P 784.5842866 783.577 PC(36:3)_lp_b 4.484 PC(36:3)_feature5 C44 H82 N O8 P 784.5842966 783.577 PC(36:3)_lp_e 4.878 PC(36:2)_M+Na_feature2 C44 H83 N Na O8 P 808.5819666 807.5747 PC(36:2)_lp_b 5.11 PC(36:2)_feature3 C44 H84 N O8 P 786.6012466 785.594 PC(36:2)_lp_c 5.279 PC(36:1)_feature1 C44 H86 N O8 P 788.6167666 787.6095 PC(36:1)_lp_a 5.962 PC(36:0)_feature3 C44 H88 N O8 P 790.6317566 789.6245 PC(36:0)_lp_c 6.604 PC(35:4)_feature2 C43 H78 N O8 P 768.5531366 767.5459 PC(35:4)_lp_b 3.962 PC(35:3)_feature3 C43 H80 N O8 P 770.5607566 769.5535 PC(35:3)_lp_c 4.899 PC(35:3)_feature1 C43 H80 N O8 P 770.5685066 769.5612 PC(35:3)_lp_a 4.123 PC(35:2)_feature2 C43 H82 N O8 P 772.5845366 771.5773 PC(35:2)_lp_b 4.84 PC(35:2)_feature5 C43 H82 N O8 P 772.5850966 771.5778 PC(35:2)_lp_e 6.418 PC(35:1)_feature1 C43 H84 N O8 P 774.6005066 773.5932 PC(35:1)_lp_a 5.5 PC(35:1)_feature2 C43 H84 N O8 P 774.6007366 773.5935 PC(35:1)_lp_b 6.733 PC(35:0)_feature2 C43 H86 N O8 P 776.6169266 775.6097 PC(35:0)_lp_b 6.145 PC(35:0)_feature3 C43 H86 N O8 P 776.6170066 775.6097 PC(35:0)_lp_c 6.317 PC(34:4)_feature1 C42 H76 N O8 P 754.5372466 753.53 PC(34:4)_lp_a 3.546 PC(34:4)_feature2 C42 H76 N O8 P 754.5368066 753.5295 PC(34:4)_lp_b 3.649 PC(34:3)_feature2 C42 H78 N O8 P 756.5534066 755.5461 PC(34:3)_lp_b 3.851 PC(34:3)_feature1 C42 H78 N O8 P 756.5533866 755.5461 PC(34:3)_lp_a 3.966 PC(34:3)_feature3 C42 H78 N O8 P 756.5533766 755.5461 PC(34:3)_lp_c 4.067 PC(34:2)_feature1 C42 H80 N O8 P 758.5693466 757.5621 PC(34:2)_lp_a 4.428 PC(34:2)_feature2 C42 H80 N O8 P 758.5681966 757.5609 PC(34:2)_lp_b 5.038 PC(34:1)_feature2 C42 H82 N O8 P 760.5849766 759.5777 PC(34:1)_lp_b 5.05 PC(34:0)_feature4 C42 H84 N O8 P 762.6007166 761.5934 PC(34:0)_lp_c 5.88 PC(33:3)_feature5 C41 H76 N O8 P 742.5384766 741.5312 PC(33:3)_lp_e 4.872 PC(33:3)_feature2 C41 H76 N O8 P 742.5370366 741.5298 PC(33:3)_lp_b 3.696 PC(33:1)_feature1 C41 H80 N O8 P 746.5697366 745.5625 PC(33:1)_lp_a 4.632 PC(33:1)_feature2 C41 H80 N O8 P 746.5623666 745.5551 PC(33:1)_lp_b 5.548 PC(33:0)_feature2 C41 H82 N O8 P 748.5847366 747.5775 PC(33:0)_lp_b 5.239 PC(33:0)_feature3 C41 H82 N O8 P 748.5847466 747.5775 PC(33:0)_lp_c 5.424 PC(32:3)_feature1 C40 H74 N O8 P 728.5216066 727.5143 PC(32:3)_lp_a 3.379 PC(32:3)_feature2 C40 H74 N O8 P 728.5214966 727.5142 PC(32:3)_lp_b 3.651 PC(32:2)_feature1 C40 H76 N O8 P 730.5377566 729.5305 PC(32:2)_lp_a 3.839 PC(32:2)_feature3 C40 H76 N O8 P 730.5377266 729.5305 PC(32:2)_lp_c 4.083 PC(32:1)_feature2 C40 H78 N O8 P 732.5535266 731.5463 PC(32:1)_lp_b 4.319 PC(32:1)_feature3 C40 H78 N O8 P 732.5534966 731.5462 PC(32:1)_lp_c 5.782 PC(32:0)_feature1 C40 H80 N O8 P 734.5680666 733.5608 PC(32:0)_lp_a 4.198 PC(32:0)_feature2 C40 H80 N O8 P 734.5696466 733.5624 PC(32:0)_lp_b 4.971 PC(31:1)_feature3 C39 H76 N O8 P 718.5405966 717.5333 PC(31:1)_lp_c 5.515 PC(31:1)_feature1 C39 H76 N O8 P 718.5378966 717.5306 PC(31:1)_lp_a 3.983 PC(31:0)_feature2 C39 H78 N O8 P 720.5537866 719.5465 PC(31:0)_lp_b 4.568 PC(30:1)_feature1 C38 H74 N O8 P 704.5222566 703.515 PC(30:1)_lp_a 3.657 PC(30:0)_feature1 C38 H76 N O8 P 706.5376066 705.5303 PC(30:0)_lp_a 4.184 PC(28:0)_feature1 C36 H72 N O8 P 678.5067866 677.4995 PC(28:0) 3.543 PA(34:1)_feature2 C37 H71 O8 P 692.5220666 691.5148 PA(34:1)_lp_b 5.228 LPE(O-18:2)_feature1 C23 H46 N O6 P 464.3131966 463.3059 LPE(O-18:2) 2.271 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 C23 H48 N O7 P 482.3236166 481.3163 LPE(18:0)_lp_ab 2.405 LPE(16:0)>LPE(16:0/0:0)_feature2 C21 H44 N O7 P 454.2923166 453.285 LPE(16:0/0:0)_lp_b 2.096 LPC(26:0)>LPC(26:0/0:0)_and_LPC(0:0/26:0)_feature1and2 C34 H70 N O7 P 636.4956166 635.4883 LPC(26:0)_lp_ab 4.477 LPC(24:1)>LPC(24:1/0:0)_feature2 C32 H64 N O7 P 606.4490366 605.4418 LPC(24:1)_lp_b 3.098 LPC(24:0)>LPC(24:0/0:0)_feature2 C32 H66 N O7 P 608.4642966 607.457 LPC(24:0/0:0)_lp_b 3.709 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 C30 H50 N O7 P 568.3390366 567.3318 LPC(22:6)_lp_ab 1.7 LPC(22:1)>LPC(22:1/0:0)_and_LPC(0:0/22:1)_feature1and2 C30 H60 N O7 P 578.4173766 577.4101 LPC(22:1)_lp_ab 2.69 LPC(22:0)>LPC(22:0/0:0)_feature2 C30 H62 N O7 P 580.4333466 579.4261 LPC(22:0)_lp_b 3.124 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 C28 H50 N O7 P 544.3390266 543.3318 LPC(20:4)_lp_ab 1.772 LPC(20:1)>LPC(20:1/0:0)_and_LPC(0:0/20:1)_feature1and2 C28 H56 N O7 P 550.3858666 549.3786 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 552.4017566 551.3945 LPC(20:0/0:0)_lp_ab 2.69 LPC(19:0)>LPC(19:0/0:0)_feature2 C27 H56 N O7 P 538.3865066 537.3792 LPC(19:0)_lp_b 2.513 LPC(19:0)>LPC(0:0/19:0)_feature1 C27 H56 N O7 P 538.3863966 537.3791 LPC(19:0)_lp_a 2.455 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 C26 H50 N O7 P 520.3390066 519.3317 LPC(18:2/0:0)_lp_ab 1.83 LPC(18:1)>LPC(18:1/0:0)_feature2 C26 H52 N O7 P 522.3554366 521.3482 LPC(18:1/0:0)_lp_b 2.107 LPC(18:0)>LPC(18:0/0:0)_feature2 C26 H54 N O7 P 524.3708266 523.3636 LPC(18:0/0:0)_lp_b 2.362 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 C25 H52 N O7 P 510.3555566 509.3483 LPC(17:0)_lp_ab 2.22 LPC(16:1)>LPC(16:1/0:0)_and_LPC(0:0/16:1)_feature1and2 C24 H48 N O7 P 494.3234266 493.3162 LPC(16:1)_lp_ab 1.704 LPC(16:0)>LPC(16:0/0:0)_feature2 C24 H50 N O7 P 496.3394466 495.3322 LPC(16:0/0:0)_lp_b 2.049 LPC(15:0)>LPC(15:0/0:0)_and_LPC(0:0/15:0)_feature1and2 C23 H48 N O7 P 482.3234366 481.3162 LPC(15:0)_lp_ab 1.829 HexCer(d42:1)>HexCer(d18:1/24:0)_feature2 C48 H93 N O8 812.6978266 811.6906 HexCer(d42:1)_lp_b 7.014 HexCer(d18:0/24:0-OH)_feature1 C48 H95 N O9 830.7078266 829.7006 HexCer(d18:0/24:0-OH) 6.883 HexCer(d40:1)>HexCer(d18:1/22:0)_feature3 C46 H89 N O8 784.6662866 783.659 HexCer(d40:1)_lp_c 6.743 HexCer(d38:1)>HexCer(d18:1/20:0)_feature1 C44 H85 N O8 756.6347566 755.6275 HexCer(d38:1) 6.222 HexCer(d36:1)>HexCer(d18:1/18:0)_feature1 C42 H81 N O8 728.6026066 727.5953 HexCer(d36:1) 5.29 HexCer(d34:1)>HexCer(d18:1/16:0)_feature1 C40 H77 N O8 700.5713266 699.5641 HexCer(d34:1) 4.433 EA(22:0)_feature1 C24 H49 N O2 384.3830166 383.3757 Behenoyl-EA 3.658 EA(18:0)_feature1 C20 H41 N O2 328.3205766 327.3133 Stearoyl-EA 2.637 EA(17:0)_feature1 C19 H39 N O2 314.3049066 313.2976 EA(17:0) 2.463 EA(15:0)_feature1 C17 H35 N O2 286.2737466 285.2665 EA(15:0) 2.151 DG(40:6)>DG(18:0_22:6_0:0)_feature6 C43 H72 O5 686.5720166 685.5647 DG(18:0_22:6_0:0)_lp_f 6.489 DG(40:4)>DG(18:0_22:4_0:0)_feature3 C43 H76 O5 673.5766166 672.5693 DG(18:0_22:4_0:0)_lp_c 6.852 DG(38:6)>DG(18:2_20:4_0:0)_M+NH3_feature1 C41 H71 N O5 658.5401066 657.5328 DG(18:2_20:4)_lp_a 5.21 DG(38:5)>DG(18:1_20:4_0:0)_M+NH3_feature2 C41 H73 N O5 660.5556666 659.5484 DG(18:1_20:4)_lp_b 5.925 DG(38:4)>DG(18:0_20:4_0:0)_feature6 C41 H72 O5 645.5447266 644.5375 DG(18:0_20:4)_lp_f 6.631 DG(38:4)>DG(16:0_22:4_0:0)_M+NH3_feature4 C41 H75 N O5 662.5713266 661.5641 DG(38:4)_lp_d 6.466 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 C39 H68 O5 617.5133466 616.5061 DG(16:0_20:4)_lp_b 5.892 DG(36:4)>DG18:2_18:2_0:0)_feature1 C39 H68 O5 617.5133966 616.5061 DG(36:4)_lp_a 5.405 DG(36:3)>DG(18:1_18:2_0:0)_feature3 C39 H70 O5 619.5295366 618.5223 DG(18:1_18:2)_lp_c 6.13 DG(36:2)>DG(18:0_18:2_0:0)_feature3 C39 H72 O5 621.5446066 620.5373 DG(18:0_18:2_0:0)_lp_c 6.641 DG(36:2)>DG(18:0_18:2_0:0)_feature4 C39 H72 O5 621.5447866 620.5375 DG(18:0_18:2_0:0)_lp_d 6.713 DG(36:1)>DG(18:0_18:1_0:0)_feature2 C39 H74 O5 623.5603266 622.5531 DG(18:0_18:1)_lp_b 6.938 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature3 C37 H71 N O5 610.5404866 609.5332 DG(16:0_18:2)_lp_c 6.09 DG(34:1)>DG(16:0_18:1_0:0)_M+NH3_feature2 C37 H73 N O5 595.5289766 594.5217 DG(16:0_18:1)_lp_b 6.619 DG(32:1)>DG(16:0_16:1_0:0)_M+NH3_feature1 C35 H69 N O5 584.5243766 583.5171 DG(16:0_16:1) 5.961 DG(32:0)>DG(16:0_16:0_0:0)_M+NH3_feature2 C35 H71 N O5 586.5401566 585.5329 DG(16:0_16:0)_lp_b 6.598 coenzyme(Q8)_feature1 C49 H74 O4 727.5659266 726.5587 coenzyme(Q8) 6.993 cholesterol_M - H2O_feature1 C27 H44 369.3509766 368.3437 Cholesterol 4.61 Cer(t42:1)>Cer(t18:0/24:1)_feature1 C42 H83 N O4 666.6394166 665.6321 Cer(t18:1/24:0)_lp_a 6.824 Cer(d43:1)>Cer(d18:1/25:0)_feature1 C43 H85 N O3 664.6602366 663.653 Cer(d18:1/25:0)_lp_a 7.389 Cer(d43:1)>Cer(d18:1/25:0)_feature2 C43 H85 N O3 664.6601766 663.6529 Cer(d18:1/25:0)_lp_b 7.455 Cer(d42:3)_feature2 C42 H79 N O3 646.6128566 645.6056 Cer(d42:3)_lp_b 6.731 Cer(d42:2)>Cer(d18:2/24:0)_feature4 C42 H81 N O3 648.6287866 647.6215 Cer(d18:2/24:0)_lp_d 7.059 Cer(d42:2)>Cer(d18:1/24:1)_feature3 C42 H81 N O3 648.6285366 647.6213 Cer(d18:1/24:1)_lp_c 6.969 Cer(d42:1)>Cer(d18:1/24:0)_feature3 C42 H83 N O3 650.6445466 649.6373 Cer(d18:1/24:0)_lp_c 7.296 Cer(d42:1)>Cer(d18:0/24:1)_feature1 C42 H83 N O3 650.6445966 649.6373 Cer(d18:0/24:1)_lp_a 7.063 Cer(d42:0)>Cer(d18:0/24:0)_feature1 C42 H85 N O3 652.6602966 651.653 Cer(d18:0/24:0) 7.405 Cer(d41:2)>Cer(d18:2/23:0)_feature2 C41 H79 N O3 634.6128266 633.6056 Cer(d18:2/23:0)_lp_b 6.912 Cer(d41:1)>Cer(d18:1/23:0)_feature1 C41 H81 N O3 636.6289366 635.6217 Cer(d18:1/23:0) 7.147 Cer(d40:2)>Cer(d18:2/22:0)_feature2 C40 H77 N O3 620.5975966 619.5903 Cer(d18:2/22:0)_lp_b 6.768 Cer(d40:1)>Cer(d18:1/22:0)_feature2 C40 H79 N O3 622.6131666 621.6059 Cer(d18:1/22:0)_lp_b 7 Cer(d40:0)>Cer(d18:0/22:0)_feature1 C40 H81 N O3 624.6291166 623.6218 Cer(d18:0/22:0) 7.099 Cer(d36:1)>Cer(d18:1/18:0)_feature1 C36 H71 N O3 566.5505066 565.5432 Cer(d18:1/18:0) 6.06 Cer(d34:1)>Cer(d18:1/16:0)_feature1 C34 H67 N O3 538.5188266 537.5116 Cer(d18:1/16:0) 5.11 Cer(d34:0)>Cer(d18:0/16:0)_feature1 C34 H69 N O3 540.5346966 539.5274 Cer(d18:0/16:0) 5.436 CE(22:6)_feature1 C49 H76 O2 697.5918266 696.5846 CE(22:6)_lp_a 8.822 CE(20:5)_M+NH3_feature1 C47 H77 N O2 688.6018866 687.5946 CE(20:5) 8.691 CE(20:4)_feature1 C47 H76 O2 673.5910066 672.5837 CE(20:4)_lp_a 9.056 CE(20:2)_M+NH3_feature1 C47 H83 N O2 694.6493466 693.6421 CE(20:2) 9.578 CE(18:2)_M+NH3_feature1 C45 H79 N O2 666.6177466 665.6105 CE(18:2) 9.329 CE(18:1)_M+NH3_feature1 C45 H81 N O2 668.6336866 667.6264 CE(18:1) 9.568 carnitine_feature1 C7 H15 N O3 162.1122766 161.105 Carnitine 0.765 Car(8:0)_feature1 C15 H29 N O4 288.2163966 287.2091 CAR(8:0) 0.838 Car(6:0)_feature1 C13 H25 N O4 260.1852266 259.178 CAR(6:0) 0.796 Car(5:0)_feature1 C12 H23 N O4 246.1696266 245.1624 CAR(5:0) 0.772 Car(4:0-OH)_feature1 C11 H21 N O5 248.1488766 247.1416 CAR(4:0(OH)) 0.749 Car(4:0)_feature1 C11 H21 N O4 232.1539866 231.1467 CAR(4:0) 0.763 Car(3:0)_feature1 C10 H19 N O4 218.1383966 217.1311 CAR(3:0) 0.759 Car(24:1)_feature1 C31 H59 N O4 510.4514566 509.4442 CAR(24:1) 2.905 Car(24:0)_feature1 C31 H61 N O4 512.4671766 511.4599 CAR(24:0) 3.421 Car(22:4)_feature1 C29 H49 N O4 476.3728766 475.3656 CAR(22:4) 2.034 Car(21:2)_feature1 C28 H51 N O4 466.3289466 465.3217 CAR(21:2) 2.538 Car(20:4)_feature1 C27 H45 N O4 448.3413066 447.334 CAR(20:4) 1.751 Car(20:2)_feature1 C27 H49 N O4 452.3729266 451.3657 CAR(20:2)_lp_a 2.108 Car(20:1)_feature1 C27 H51 N O4 454.3884366 453.3812 CAR(20:1) 2.297 Car(2:0)_feature1 C9 H17 N O4 204.1228566 203.1156 CAR(2:0) 0.761 Car(19:0)_feature1 C26 H51 N O4 442.3883766 441.3811 CAR(19:0) 2.367 Car(18:2)_feature1 C25 H45 N O4 424.3412966 423.334 CAR(18:2)_lp_a 1.772 Car(18:1-OH)_feature1 C25 H47 N O5 442.3520166 441.3447 CAR(18:1(OH)) 1.739 Car(18:1)_feature1 C25 H47 N O4 426.3571266 425.3499 CAR(18:1)_lp_a 2.04 Car(18:0-OH)_feature1 C25 H49 N O5 444.3677766 443.3605 CAR(18:0(OH)) 2.06 Car(18:0)_feature1 C25 H49 N O4 428.3730166 427.3657 CAR(18:0) 2.278 Car(17:0)_feature2 C24 H47 N O4 414.3574266 413.3502 CAR(17:0)_lp_b 2.131 Car(16:3)_feature1 C23 H39 N O4 394.2948966 393.2876 CAR(16:3) 1.27 Car(16:1)_feature1 C23 H43 N O4 398.3258766 397.3186 CAR(16:1)_lp_a 1.661 Car(16:1)_feature2 C23 H43 N O4 398.3257766 397.3185 CAR(16:1)_lp_b 1.859 Car(16:0-OH)_feature1 C23 H45 N O5 416.3364666 415.3292 CAR(16:0(OH)) 1.608 Car(16:0)_feature1 C23 H45 N O4 400.3416566 399.3344 CAR(16:0) 1.968 Car(14:2)_feature1 C21 H37 N O4 368.2790466 367.2718 CAR(14:2) 1.111 Car(14:1-OH)_feature1 C21 H39 N O5 386.2895466 385.2823 CAR(14:1(OH)) 1.06 Car(14:1)_feature1 C21 H39 N O4 370.2949066 369.2876 CAR(14:1) 1.297 Car(14:0)_feature1 C21 H41 N O4 372.3103166 371.303 CAR(14:0) 1.534 Car(12:0)_feature1 C19 H37 N O4 344.2792966 343.272 CAR(12:0)_lp_a 1.06 Car(12:0)_feature2 C19 H37 N O4 344.2789966 343.2717 CAR(12:0)_lp_b 1.13 Car(10:1)_feature1 C17 H31 N O4 314.2319966 313.2247 CAR(10:1) 0.876 Car(10:0)_feature1 C17 H33 N O4 316.2478666 315.2406 CAR(10:0) 0.932 adenosine_feature1 C10 H13 N5 O4 268.1035866 267.0963 Adenosine 0.729 3-(1-pyrazolyl)-alanine_feature1 C6 H9 N3 O2 156.0766266 155.0694 3-(1-pyrazolyl)-alanine 0.865 METABOLITES_END #END