#METABOLOMICS WORKBENCH efahy_20230425_000067 DATATRACK_ID:3964 STUDY_ID:ST002645 ANALYSIS_ID:AN004317 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 ST:STUDY_TITLE Gastrocnemius Powder - Untargeted Lipidomics, Reversed-Phase Positive ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE Georgia Institute of Technology ST:DEPARTMENT Department of Chemistry and Biochemistry ST:LABORATORY Systems Mass Spectrometry Core (SyMSC) ST:LAST_NAME Facundo ST:FIRST_NAME Fernandez ST:ADDRESS 901 Atlantic Dr NW, Atlanta, GA 30332-0400 ST:EMAIL facundo.fernandez@chemistry.gatech.edu ST:PHONE (404) 385-4432 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS BC49E4EF-E2FE-4269-BAF0-461F768BD95D 90217015510 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90217015510.raw SUBJECT_SAMPLE_FACTORS 0BD282C7-7832-4581-9089-08A32D557034 90218015510 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90218015510.raw SUBJECT_SAMPLE_FACTORS 955498F4-70A0-4D50-A2BA-619A8FED8FEF 90222015510 Group:Training | Timepoint:8 weeks of training 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time | Sex:Female raw_file=90571015510.raw SUBJECT_SAMPLE_FACTORS B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E 90576015510 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90576015510.raw SUBJECT_SAMPLE_FACTORS DC8B35E8-4AA8-4829-8569-F223D069620C 90578015510 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90578015510.raw SUBJECT_SAMPLE_FACTORS 8904857C-2073-4BBA-AC7C-1EC239E5BFF7 90581015510 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90581015510.raw SUBJECT_SAMPLE_FACTORS 1F9BD644-303F-43E7-94BE-FF6654306F5E 90585015510 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90585015510.raw SUBJECT_SAMPLE_FACTORS 0409BED3-F9FE-4C06-9920-74F5E5CA04A3 90587015510 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90587015510.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Gastrocnemius Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Gastrocnemius.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Gastrocnemius02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Gastrocnemius02.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Gastrocnemius Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Gastrocnemius.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Gastrocnemius02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Gastrocnemius02.raw SUBJECT_SAMPLE_FACTORS - QC01 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC01.raw SUBJECT_SAMPLE_FACTORS - QC02 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC02.raw SUBJECT_SAMPLE_FACTORS - QC03 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC03.raw SUBJECT_SAMPLE_FACTORS - QC04 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC04.raw SUBJECT_SAMPLE_FACTORS - QC05 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC05.raw SUBJECT_SAMPLE_FACTORS - QC06 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC06.raw SUBJECT_SAMPLE_FACTORS - QC07 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC07.raw SUBJECT_SAMPLE_FACTORS - QC08 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC08.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 - 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 #COLLECTION CO:SAMPLE_TYPE Gastrocnemius #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 AN:ANALYSIS_DETAILS: NA #MS MS:INSTRUMENT_TYPE Orbitrap MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS none MS:MS_RESULTS_FILE ST002645_AN004317_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 90217015510 90218015510 90222015510 90223015510 90225015510 90227015510 90229015510 90232015510 90237015510 90239015510 90245015510 90248015510 90251015510 90252015510 90254015510 90258015510 90259015510 90265015510 90266015510 90267015510 90280015510 90281015510 90283015510 90289015510 90292015510 90406015510 90410015510 90412015510 90416015510 90420015510 90421015510 90422015510 90423015510 90426015510 90430015510 90439015510 90441015510 90444015510 90449015510 90450015510 90559015510 90560015510 90564015510 90567015510 90571015510 90576015510 90578015510 90581015510 90585015510 90587015510 IPE_Reference_Gastrocnemius IPE_Reference_Gastrocnemius02 SED_Reference_Gastrocnemius SED_Reference_Gastrocnemius02 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_M+NH3_feature1 5190228.023 5540296.227 5778916.723 5314254.7 5218340.24 4987946.789 4785745.693 4662626.614 5428042.348 4755172.591 5772386.716 5357373.802 4968853.492 5252543.8 5575945.945 5647756.224 5539353.485 5384806.799 5297976.117 5309073.283 4990084.819 5529397.61 5513935.389 4203184.182 5669570.516 5350541.981 5622625.16 6051823.034 5726802.654 5400212.268 5609152.659 5369719.075 5393040.457 4244943.072 5521421.802 5344066.382 5438472.274 5345169.317 5651890.643 5682424.234 5239279.122 3792767.833 5585585.156 5433251.874 6237411.904 5285044.389 4906886.329 4721222.749 5310909.596 5691895.259 5132404.752 5344086.291 5215339.275 4649603.01 5321455.794 4990343.229 5557229.205 5159520.017 5206000.718 5366834.037 4996641.614 5380404.543 319.032437 330.430742 357.2271823 969.5690444 314.463165 599.0404645 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_feature1 1977169.787 1966697.256 1976310.346 1976043.87 2004363.24 2047181.092 2103480.257 1890750.069 1833071.408 2025737.598 2002288.999 1971032.865 1994782.443 2032793.192 2019629.196 2020084.913 2046963.316 2043685.224 2043743.698 1933581.47 1881942.262 2006933.497 1918642.903 2027999.293 1887729.566 2224199.074 2053544.984 2115592.631 2144222.853 2109489.83 2130025.646 2052300.423 2007719.425 1928112.153 2052751.469 2179789.686 2074247.588 2210224.425 2047764.556 2001656.05 1962363.775 1837647.328 2114098.889 2025456.046 2045492.447 2012833.811 2008770.781 1922565.126 1892180.553 1782919.142 1986347.523 2033240.535 1916636.465 1965117.489 2060701.622 2032346.208 1997330.069 2071105.704 2036904.663 1984948.24 2097861.865 2021871.634 223.1463236 202.5469741 207.6753963 212.8988329 192.2332903 205.0824951 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_feature1 71310.46097 68686.24153 81953.4047 82133.77268 65005.89487 82217.08492 64089.32167 79404.02484 80700.31755 64380.87817 69739.19911 105131.7251 75624.27421 70958.51948 62877.7657 78773.93137 86596.18068 83348.96015 50725.29864 60940.42251 66397.47068 54639.27419 49887.17278 46137.63758 43095.59762 65443.96088 65320.97904 23312.77474 78910.12958 67962.17213 76716.19237 74583.74031 60700.20537 64492.59163 67106.1995 79961.13792 80942.5894 70351.65736 62364.02793 77130.1451 75079.55149 73587.54079 63645.88286 79706.832 75977.58706 95447.9983 63039.50746 58005.80921 61169.65175 73089.95518 50388.45053 54115.14035 55054.25982 50573.50359 69480.60699 68200.514 64939.29601 69581.79451 68216.11569 75273.38439 65172.24637 67260.38604 410.8995006 384.0385676 389.1961661 430.3029641 407.8097835 419.1325719 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_feature1 127120.3609 142129.6061 133757.4991 122917.3593 119574.0531 127101.3412 105456.9762 155441.2347 109594.6864 129223.8088 106181.8402 124224.3891 113359 122773.4337 103882.6846 111326.2146 134190.5093 93411.89569 107178.5144 111160.167 132590.2955 96675.94482 80407.14589 95372.70178 120636.0538 111533.4644 102370.8756 38371.99809 117952.0984 104203.7462 110474.8411 112700.4828 100309.8748 122044.5095 100614.8871 122149.4398 115958.3773 115796.5391 107648.3529 104498.9345 98932.50439 166508.4744 122565.6054 134861.1055 105633.4379 116882.5292 115264.4651 130829.9155 164170.8734 134034.8898 96582.44397 101528.5039 87907.67135 94815.48909 113438.081 101700.6621 110682.6385 177132.7015 97917.02564 120769.1021 96042.85163 124186.5021 228.8541839 276.6895874 282.2317643 232.2830024 277.2774445 329.2134601 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 487986.5179 471167.6592 479767.0616 524908.7233 465168.9696 473048.674 523469.418 452024.9906 482974.1817 485389.1578 485258.4887 503687.551 466880.3636 512710.0578 467476.2884 472910.1707 485276.3764 480291.2759 485520.262 483435.7536 450204.7165 480162.4311 449359.4817 462484.4193 330290.1127 466401.4899 463480.2585 449925.7028 490148.0214 500300.0994 496647.2613 483767.6237 497937.7894 500791.3368 468004.2723 505363.9268 467027.6144 490254.2289 540735.3232 499580.4962 505110.4383 482043.3368 487947.0255 494791.9834 517227.8476 447770.4115 474559.2786 461914.4208 466565.8771 453485.468 477184.9698 493982.3375 484042.2124 479922.8072 505700.2227 486694.1768 499331.7783 468168.9133 485095.3966 502009.298 486222.2962 500657.1174 418.1208973 379.688866 389.4726225 410.2951665 376.9230823 402.1764209 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_feature1 172924.0542 178115.4164 173204.7546 175268.9623 159932.5568 184825.5902 170146.3831 181161.0636 182208.5056 159733.2027 169230.1 187037.735 180792.6021 177374.8462 170192.1202 183035.9727 168197.1303 168107.2358 173249.1264 176184.9052 175797.5089 167685.4115 168937.0127 165975.4756 177576.1422 179887.5284 189039.6615 150127.2865 189999.6229 158876.7978 161636.3226 172476.905 160386.7883 168130.5529 169494.6318 166045.109 180021.0305 172729.7738 168206.2117 172520.486 180584.5242 183833.0529 182680.9918 168602.5419 176080.4256 215107.1718 163929.2141 162494.0844 179453.5783 172424.7786 156978.708 154094.6627 168784.0184 155619.2636 174939.4851 176260.2868 172502.4725 171497.9503 169732.6822 177956.9792 177340.3258 172000.1926 542.0478343 521.0341204 515.07051 487.5161891 509.0982332 521.8152251 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 112322.2493 102642.0581 110629.2158 117737.0884 106255.1762 117938.7697 109450.3964 111361.0421 116007.0274 117905.9126 105921.4211 114697.3266 103028.1521 106089.2325 112657.8918 107706.16 113129.7124 109072.8731 112096.5997 101471.2451 109260.77 105594.5737 97917.13118 100524.3863 115533.9866 108137.7847 120290.3679 115756.9306 110624.6667 114171.8242 114439.2747 110062.8516 120078.4736 107864.9418 108978.4621 106487.7323 117457.1383 120504.7159 114511.6879 111414.1109 117344.4768 108402.9839 114344.0404 113292.7259 122676.3579 116544.2426 113750.8365 110519.3908 104852.7688 112684.396 122064.4629 119442.2526 125932.5158 117275.7177 110769.9737 103744.7782 110849.9239 109381.4067 112118.7239 109019.9912 108332.9834 107788.0828 539.823256 627.4948627 632.4663357 328.733652 587.9753844 614.45054 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_feature1 37288463.7 39294357.88 40793361.22 37756584.59 36314437.73 42585563.65 40111433.25 40371680.74 40274073.12 40553848.09 39459733.19 41477677.62 36250076.75 39903474.11 39613138.76 36899664.31 36374905.97 39111146.95 36143633.19 37255632.52 37122819.24 37627322.86 36311655.97 37943635.7 36485067.65 38792143.46 39934457.09 33421070.04 38319192.58 38982880.78 35998854.22 39051492.73 38967602.08 40160104.1 34438264.19 37731312.74 41737990.46 39588277.62 38467089.48 40591834.64 40589757.7 39253399.32 41969452.73 38596329.27 36771499.91 40138371.59 37475754.76 36478074.02 35918174.22 39989080.48 32897424.4 32514810.91 34012341.24 35479045.16 38433304.03 39436168.89 37737696.61 36441833.7 36458134.87 38999320.84 37028439.12 39485162.78 1070.04597 1051.874147 1553.050067 1038.569674 1141.146789 1562.807021 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7)) M+ H2CO2_feature1 1547773.12 1480498.643 1495583.805 1578527.169 1551661.992 1628865.702 1611543.539 1482551.68 1665233.352 1543364.925 1500531.449 1600328.3 1471690.197 1516775.848 1569213.79 1513923.674 1579687.82 1495378.444 1592566.48 1530456.878 1546992.611 1543615.553 1540788.554 1561379.051 1601633.769 1556441.715 1623941.302 1606129.42 1565827.099 1554768.304 1581976.33 1543841.332 1603211.898 1517136.511 1493612.68 1525662.3 1576222.294 1571489.026 1533658.044 1597814.398 1546907.73 1493148.337 1567150.271 1496458.828 1558911.643 1586630.416 1557928.593 1523928.655 1504866.303 1588328.956 1647956.451 1545987.063 1695676.433 1575037.183 1600373.378 1598566.921 1533155.697 1554428.328 1586338.029 1604374.691 1573084.984 1580931.336 357.6054082 1239.650704 1229.776218 328.1853664 1816.79712 1184.154488 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_feature1 169928.2312 169456.3657 172258.2561 177469.1413 159488.5365 165035.6175 178930.5398 168005.5727 163461.2524 174353.9634 159697.919 181385.8832 159685.1456 167493.9122 162387.4465 175635.5011 167814.3592 159788.0285 172938.4977 161199.4594 155896.193 161617.5468 164624.0565 155168.2271 170848.2862 167974.5254 165359.7893 178773.8682 181538.3313 172875.519 169694.2139 169408.2336 184414.6261 177270.5004 169108.56 170725.1924 171530.5141 164848.4613 165096.4346 174690.8204 178769.0163 168806.4879 172578.7198 158330.305 170963.3622 174172.0092 171087.6484 169915.9041 160446.161 156076.7713 180135.9289 159419.9665 177761.4456 160013.8585 170819.4357 173141.5528 169427.1017 162629.1296 166465.2121 175943.3926 174865.5004 166195.036 260.5687293 255.1050144 274.2188764 235.003742 232.6027248 268.0347061 GTInternalStandard_CE(18:1(9z,d7))_feature1 1628566.284 1306923.082 1423818.993 1799097.091 1599621.221 1653628.54 1320033.979 1532142.703 1704535.044 1462847.693 1264456.267 1469456.706 1308675.6 1456418.602 1589026.373 1465451.525 1669541.195 1543156.725 1732132.805 1171726.486 1615605.887 1450992.158 1300111.389 1260090.672 1616613.644 1331385.5 1681368.363 1778252.494 1493503.306 1796669.476 1664140.051 1437123.17 1708277.767 1289183.057 1477775.591 1531904.551 1654392.749 1626424.721 1625126.668 1695763.007 1810578.667 1139577.291 1651215.201 1358800.459 1881131.228 1688064.904 1477187.089 1581454.872 1521591.684 1353429.776 1791214.837 1755841.267 1597345.84 2050418.529 1439324.606 1518620.655 1459109.086 1454313.578 1671225.021 1465715.993 1441158.22 1466064.586 1764.154737 2061.260897 1896.196627 2188.932282 2275.39935 2366.171714 GTInternalStandard_cholesterol(d7)_M-H2O_feature1 45348.24629 52470.75115 50293.8501 60632.87927 61471.65384 46689.27251 53577.0466 44519.05821 48154.27738 49642.91384 47312.02589 54081.48121 43836.73388 57948.12721 57173.03316 54858.48035 64508.21234 50833.40365 57159.63262 54030.25618 39618.82325 49825.50149 59370.92207 54821.99078 42588.52924 52773.74351 41429.45658 79323.59194 49155.74954 60034.68466 64153.80354 52041.27633 71026.7712 51249.68358 60556.66886 61330.08426 56426.38265 68390.24077 66172.27327 47412.40779 59134.8742 45001.69813 52958.74426 51223.68756 59917.17708 26743.43434 62139.32778 58833.50191 49505.73359 36720.83554 68969.37971 65010.45302 72798.56145 56485.68031 48073.21833 50790.50382 60898.06359 50374.57842 52760.96333 54873.58146 51883.86229 50449.68117 177.5178098 169.6792794 183.5729387 149.9158341 149.7633363 169.8775997 Ubiquinol Q9_feature1 5412899.513 4231276.108 5136967.137 3709965.736 3897603.039 8253166.139 3896593.516 3891323.869 3042681.141 2691347.26 2430401.56 3173139.206 3936093.024 3364279.305 3624182.461 2909920.546 4261116.21 3926580.829 2824594.743 6503633.522 4478709.381 3372890.336 2475581.605 2599884.664 3641916.699 3953555.34 3278596.55 1403040.692 3768742.668 3576057.017 2959560.051 3438132.072 2378446.146 3143744.197 2670749.846 2921910.651 3376054.205 2408751.379 2846254.609 2705939.713 4038693.183 3412758.126 3708371.937 6053898.833 2779348.643 4171382.929 2632869.08 3120657.573 3816324.119 4296423.795 2485230.511 2877262.231 1973269.848 2222633.095 3240755.32 3423727.06 3616992.29 3691124.755 3550029.097 3537724.851 3337884.872 3357746.542 959.2250707 985.2835717 1384.732373 1068.936817 1284.48454 1898.928649 Ubiquinol Q10_M+NH3_feature1 371851.6735 203339.0726 318536.6955 186358.4513 201237.5393 519213.477 251138.7535 239003.6441 201858.5712 138539.3051 103980.8748 149236.1322 187107.2295 131019.9477 187232.3312 123500.017 197623.1465 173841.7988 97603.95939 315316.2626 231239.0317 192068.2254 3569.060545 121344.9558 197932.5458 187672.9085 181612.7625 6472.779126 166683.5157 148593.5575 160468.6802 181040.7015 94722.50447 171123.9447 121198.7931 141422.4048 168197.8398 115684.5518 174480.7104 155539.5195 192285.1056 170456.4549 186476.1534 385067.7462 129748.5747 128994.1505 107229.8259 162132.1696 199112.3364 249028.667 75913.19885 84784.98654 6973.592494 101003.3046 172575.48 165130.7164 175958.6553 176977.5483 148970.4638 161090.2438 165284.6232 184054.6439 222.5870424 270.1685465 242.8363256 282.4937772 286.9588323 308.6235752 TG(60:4)_M+NH3_feature1 75180.80468 52842.99106 183333.1844 127146.0388 77222.02111 54875.12996 289898.5571 324010.0056 126750.7065 377694.303 59568.9867 123648.0571 142791.9748 205107.9725 84170.40752 89731.80005 76719.36988 115309.7495 44852.5288 45344.23656 207272.6859 60173.06263 163869.0972 441399.465 141404.1992 39237.25725 123955.2684 36791.29494 79301.4979 47630.16361 73862.47995 141811.4076 55042.5126 726719.059 74675.05018 87641.90128 173664.2694 60597.52003 80434.0927 168732.7927 55460.10195 249709.0019 82865.90669 78515.35353 77527.6183 64353.34288 19489.47794 183818.904 45195.56213 62532.1544 93188.74723 107483.3115 188877.8435 196502.2975 100027.9478 137207.0747 112198.281 122148.39 109403.4367 113467.9039 116701.0623 117612.7249 325.3165636 423.5841375 348.0670565 299.0916345 330.9142508 316.4573634 TG(60:3)_M+NH3_feature2 70262.86141 63384.44662 197721.6814 111313.9645 79144.34235 54929.16858 129483.7094 338522.2509 111766.5021 308836.1736 54734.3063 123583.9799 146116.0077 143487.5894 87197.73467 73465.14984 75426.26868 116165.2202 40269.07233 38483.73561 185231.5404 54464.99535 132895.3131 331177.3547 116736.8049 26371.31134 134549.5871 24632.04597 94821.00605 55293.1749 48885.49278 129371.163 51093.99465 489055.8802 56157.2533 87232.30078 140551.7143 63643.20291 64316.45297 129715.8294 34652.06942 199896.6139 67996.21367 81195.13846 72274.67892 60874.69259 17080.19215 172803.8493 52108.76415 58823.05557 86953.16239 86719.34889 152072.6276 108386.8411 137317.3652 101156.0025 109662.6077 152228.0315 124705.5971 118823.7031 108055.9868 130605.5081 499.43441 571.7611293 558.1877387 550.5329181 650.6108657 629.7836006 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 88963.14052 62803.81293 38245.657 85706.67047 44434.25748 70013.23617 201937.1217 248911.8422 138474.8518 186251.3513 57587.44576 87223.20047 104664.2517 126852.1784 151646.9349 50693.33831 54257.84884 50604.35131 30488.87329 44376.86214 93404.10383 116351.0632 184429.4496 264179.1892 94073.40205 89048.56775 75484.95102 41076.66658 87094.62231 43251.58146 123381.6454 178063.1789 71891.18819 251678.9967 142805.134 145674.5422 63967.44379 140055.9358 108668.0651 156072.9018 76042.53072 118083.098 61645.05032 81316.67707 67937.61821 88433.63464 30238.58661 130090.4266 71624.62071 46119.13531 75674.45511 65764.59082 81924.39872 63982.09281 81504.2055 90328.04663 133388.8107 104166.6389 93197.21724 114374.8631 82894.79988 98075.38502 385.4021958 402.4583856 418.1910137 395.4432739 418.3625511 436.7864255 TG(58:9)_M+NH3_feature3 1014223.562 574278.1962 741572.7874 750163.0048 374303.7034 406359.0334 1843528.19 1808401.634 1105490.961 1685348.994 657841.5524 996594.8069 1336104.084 1358994.858 1319933.103 629450.8441 557272.4649 663377.5979 321899.8467 442550.805 1287298.514 765952.1028 1934143.057 2468909.786 1171371.69 826480.9201 1014840.798 360134.6638 951161.896 556428.9912 1018453.779 1345955.142 625495.744 2279694.196 1100002.768 1177908.754 957019.3048 985417.851 1186624.727 1272165.212 863058.5048 2018197.639 872679.4386 803921.962 804714.1983 1003681.761 260427.7461 1315716.666 617218.1174 517806.7637 715002.7024 758473.485 953826.7452 950255.5597 881706.9462 942041.2879 981576.5646 1025803.33 996526.0063 980274.7113 901433.1092 929028.5031 354.9614188 371.0497997 384.8792826 321.8460031 341.481458 349.4458261 TG(58:9)_M+NH3_feature2 213433.3892 105154.5664 105443.9461 110694.4794 72263.65029 84585.0164 261075.2021 138025.3598 192927.4872 247888.6708 67951.94002 97140.92444 136716.3638 112985.3891 139042.9206 101963.9733 89623.27248 54412.42191 40478.62939 73632.48529 249248.4199 159854.7991 348418.899 547891.2325 265742.8628 132445.5612 109173.4818 60984.35926 125877.4429 91451.88644 134370.6581 215064.7009 95109.11678 176651.4603 168036.6041 175230.192 128516.4875 138324.9902 163917.7302 172200.9179 87102.31875 246759.3451 82220.00114 64146.92479 78444.84697 118755.6556 39746.35851 158758.4277 95348.49945 44952.54502 92409.94357 114351.6941 120831.9585 92919.89011 124579.7243 143310.017 141828.1403 123516.5458 132300.3345 129766.809 133740.1638 136379.1255 299.3195485 312.2364138 326.0824132 356.4232711 376.3319973 382.1162535 TG(58:8)>TG(18:0_20:4_20:4)_and_TG(18:0_18:2_22:6)_M+NH3_feature6 412656.0236 234031.8341 401603.1387 329646.6714 234024.8153 285414.7873 710506.7757 680921.852 524796.555 480657.9102 227585.1625 284539.2095 377848.763 507791.0191 342153.0242 264233.0234 273337.6672 187086.7227 119714.3922 209219.1173 656633.3512 331576.6347 858747.1324 941614.9042 557712.8215 354603.103 379568.4022 135570.6768 313266.1122 281818.8292 354874.7851 563023.9133 216652.1041 475021.763 360430.2742 429895.4691 341781.6017 326425.9973 427288.239 431078.0251 311776.9254 686320.1095 255030.5277 346523.9242 296448.117 350223.4562 106697.1274 391505.6329 206965.3481 242460.1407 313617.1815 334629.2503 371429.517 334141.3448 347596.4386 334545.3993 374203.7115 339438.5202 391976.3446 316927.6208 357202.2907 348659.492 362.5421825 459.741096 416.2158285 346.1065591 451.5124692 389.1759106 TG(58:8)_M+NH3_feature5 1091695.53 789471.3528 750572.8201 883112.9613 529196.4093 575670.6204 1781752.554 999355.0788 1110816.187 1324824.236 728148.2279 978845.2232 1489989.262 1384904.465 1805601.504 822789.8313 791527.3353 654544.0534 469035.958 624272.307 1366264.885 694159.8352 1862979.9 2465887.298 1207215.443 1007789.831 1112972.301 480107.86 982526.957 613113.1894 961151.8243 1409713.615 654401.7125 1829578.941 1287844.879 1129137.846 1003945.358 1144417.585 1038316.831 1354335.045 1142150.395 2017316.737 1045136.101 1180232.001 1014354.169 1291649.932 370070.6901 1553887.974 795284.0777 724143.4794 489444.8502 782604.9865 548951.9613 853556.983 981576.7234 1045288.235 1176346.59 1058802.944 1008938.64 1160594.729 1075421.819 982810.1575 1065.800811 2365.441549 2692.659622 998.4978351 2019.520371 2012.149041 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature4 906214.2312 401288.5698 618126.4448 759744.3343 315752.9871 318629.5464 1877233.409 1610702.619 994682.7684 1632602.474 463252.2748 668807.8905 940865.9423 1039951.114 910648.937 445990.3912 225140.4842 477731.5595 254713.8442 310917.616 1133285.28 486308.4826 1282422.292 3320630.826 900287.2748 406599.3694 762938.7878 145094.7803 498829.7211 355342.4154 668264.4854 1435874.583 399825.5326 2174788.093 786231.799 750664.0908 691789.424 717502.6883 850077.1576 854855.7274 487224.6179 1887318.836 365358.5109 540600.3253 533590.5109 564014.9177 165331.3452 1207413.904 375617.9766 435535.0991 640614.3401 658430.6217 708804.8741 926084.197 661990.2476 737397.4279 726473.043 712860.5492 809582.4429 795377.1706 543022.6337 755877.7105 355.378383 359.4387492 361.7742577 412.1279252 426.1145129 461.6148481 TG(58:8)_M+NH3_feature1 343202.9419 173251.81 208812.1098 260001.2157 196259.0774 173206.0696 514337.5465 728086.0551 413134.0415 482289.3491 180568.3737 313497.3488 406468.1507 422326.2164 292399.9557 185883.7039 186898.5997 242217.7945 137426.2021 139116.4459 516545.5527 288110.5987 448357.188 937516.8322 432063.8647 246454.4532 310360.3294 103383.1194 285376.5375 181076.2532 331327.3525 424647.0153 207994.2996 728341.3312 357861.1632 303210.5086 323243.2165 301636.9943 268329.3728 470990.4394 196064.842 597800.6753 201500.7732 250447.7068 160190.3189 262340.829 83120.50149 336720.9857 177664.3072 164914.185 294541.526 284307.6587 354828.6915 330847.6811 304797.6746 300097.0944 322077.89 290004.1146 316158.3996 292787.2752 295067.121 317924.122 591.8975499 621.5523691 649.8831084 784.8688366 830.2225401 844.5333474 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 1617118.607 1030014.924 1527837.299 1791653.832 716101.9069 633457.2058 5258167.427 3749785.396 1892915.927 3316706.931 1013868.317 1766725.848 2317273.957 2416852.979 2239580.358 1125304.16 741727.5994 1310893.235 428905.2307 632009.6027 2456579.072 795598.8621 2442605.175 5280888.623 1667324.019 924587.2072 1772710.681 509444.5508 1220116.163 1072327.321 1873384.238 2413037.849 796727.5316 3590709.311 1569230.158 1701040.142 1533881.233 1424798.134 1639141.978 2310006.397 1073434.701 4705615.165 1266169.864 1611926.043 1141453.038 1288096.099 353632.7431 3162572.064 830329.6804 915044.9959 1230992.967 1362634.514 1715059.756 1675171.038 1663062.378 1763069.767 1672878.865 1679003.587 1862752.46 1720012.444 1403897.39 1873300.501 671.303964 851.3041134 803.1133435 640.6603855 835.7252019 720.3029141 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 725004.2754 629096.393 748367.416 859838.9947 541176.1396 546308.3963 1314264.38 1135883.154 832946.0227 1052695.006 445130.9608 602617.7173 1101447.985 982857.0379 866344.6404 710192.9802 586900.8775 429546.4273 186443.032 418111.0107 1035909.857 543597.2874 1301557.567 1345073.831 1178505.795 799150.2882 670903.8228 167169.68 727005.6096 462909.3636 730750.5979 942805.1961 501007.1398 1216000.462 790028.8937 896494.3502 844493.566 659628.2911 717958.6047 1126572.801 688016.1429 1189305.967 480406.7951 645671.5412 659944.0026 866196.3056 166749.1104 940713.938 612541.6382 418343.1096 484291.3949 485278.2568 589089.8752 563889.6207 723297.4256 801696.0644 737020.7742 779122.5935 811670.0248 732912.7644 824646.8882 711184.4479 387.4641481 391.0935384 405.2195364 380.0044862 382.1611034 385.9110569 TG(58:6)>TG(18:0_18:0_22:6)_M+NH3_feature7 177194.0945 106299.1286 195658.9323 199561.827 95692.02298 196123.9582 249750.9316 268290.9159 168418.9839 195155.9642 85600.51053 121758.0157 204295.0932 180671.335 183536.9527 133896.6443 154129.7734 102701.462 51302.5793 67617.41776 224556.1806 156321.3586 263039.4687 243612.5792 153456.8853 155026.6386 149163.3236 54472.38696 101410.5398 146529.4733 160005.1442 223871.5306 95934.05725 225910.85 160513.9586 114483.22 164966.5039 123600.6173 100212.2157 233145.6533 125279.3515 180784.4505 133198.566 151229.631 143611.2295 160187.8195 48849.20612 160638.0814 91499.88932 101117.6457 95997.43118 108055.1514 109044.8516 126141.8704 138550.7747 147701.1077 167893.7017 151147.9667 143015.0239 149826.1158 141272.766 152675.7848 631.0333345 647.8094582 652.4084793 685.5353558 709.6795691 715.4426161 TG(58:6)_M+NH3_feature6 425911.3821 249640.97 483293.7128 508797.2861 269285.7475 465662.9106 1220725.414 1465542.48 665450.454 1272347.117 321809.1866 437484.1878 695826.9707 611504.5696 623289.0011 400698.9569 431494.1242 370381.1666 151195.1154 224303.1851 405994.026 261639.2617 1144695.329 3028311.404 490480.4861 192213.3798 467989.0756 170704.934 478687.734 228743.7811 422497.9248 904081.2805 247342.4938 1531533.324 651475.0064 537348.7128 500508.4106 455924.4874 624114.5304 800028.1569 345330.834 1662861.899 400106.1396 524538.272 460017.7292 301669.2727 83075.68183 671897.5144 334327.0308 319554.9193 984884.5618 609883.2553 589554.7734 571830.6697 667355.1424 537594.4854 587711.4333 562048.9892 616230.3287 745958.4936 472275.5728 631373.8128 526.1305366 516.226595 522.2100373 555.2011765 581.0957011 582.8333232 TG(58:6)_M+NH3_feature1 42851.28303 29144.12717 48875.08049 77431.56543 19678.72415 8595.487355 115166.1585 118430.0142 66744.77205 121271.8763 38290.61824 39490.99434 49447.85049 52152.21009 51373.40965 30049.68779 23138.734 22347.27448 12585.59522 17933.56833 76935.11245 22188.70171 67998.52105 276317.7074 48242.75878 31631.29254 48033.93685 18276.02908 23568.92666 21325.98908 45032.64728 100559.7504 19052.26385 170856.4438 42489.26551 46863.77854 35215.04482 41412.89299 44181.74412 61724.61861 30791.78527 161179.3146 31861.52993 31645.62535 29732.34919 39077.83655 10931.22271 105160.0548 22189.94337 25333.87176 27742.80115 30780.30781 20943.89396 44320.86967 37989.24282 40123.58328 37946.9011 47377.8355 47419.8194 39452.47432 38420.0385 40120.81427 307.0186496 352.6058695 359.1660698 203.7342253 230.746494 218.431142 TG(58:6)_M+NH3_feature3 21973.63916 14848.7273 28078.6359 27180.08711 16475.0874 7080.943512 52439.81973 45372.71644 33025.21001 42043.14462 27782.81046 40010.44042 34826.79203 4363.656629 25599.14646 27333.59573 19620.77657 36738.44645 13347.76776 15407.84751 38089.39005 11670.14429 25561.11959 80631.62031 19087.81541 5617.65383 30316.23999 9547.617618 23564.60801 17014.95591 19352.93617 35613.96964 11549.76691 66074.82566 17001.42492 24339.29406 24886.5796 18657.35346 18887.14402 33010.66829 10463.97533 69542.44587 23176.30969 29687.98918 21398.84294 12998.00278 4627.208841 49393.29428 16742.74724 21601.0522 44822.48283 58602.16455 69001.51458 67460.99634 32274.05606 37369.47265 35529.69871 33761.60695 24954.74041 30592.68073 32066.98569 41773.78767 245.7226849 688.7165048 663.8389067 470.9189475 882.2718562 844.5056364 TG(58:6)_M+NH3_feature5 761364.2868 415098.0757 889735.8528 1010867.779 403403.59 167549.911 2402341.614 2002553.133 1201171.386 1780750.383 634978.7652 828336.7022 1161762.426 1560295.567 932086.7575 591113.7991 200744.0046 621436.9094 233533.6043 285237.6885 1158654.766 341288.0417 707284.0225 3218303.193 764324.8098 375027.5839 1210733.222 221643.4703 664840.4581 365891.3048 712373.1712 1230930.542 371362.3528 2383435.771 585221.2316 729630.6246 768954.415 702789.2243 587013.6012 1008865.63 490057.5336 4613513.016 603734.4096 727829.2861 598099.1386 553333.2369 177903.663 2221685.778 433609.0838 559998.618 594365.3908 577579.6799 766057.8695 753869.5763 737699.6553 940829.1247 883856.8584 821709.7897 823348.9117 680610.0551 785545.9596 942664.2862 390.3305374 411.652265 408.134104 406.5652583 417.2625599 421.7733301 TG(58:5)_M+NH3_feature6 150463.6507 81298.11775 183095.1785 183969.7992 121665.4685 181942.9829 36127.66275 6250.396582 120831.4596 29234.12934 13165.7468 19677.037 23093.581 136368.9027 102626.8562 111385.9601 83223.2722 36748.74972 53163.98103 59534.82885 211388.5832 130320.7201 224721.3811 17257.05914 157359.4319 61802.07609 13358.64972 52795.75241 81006.48268 71849.77172 99960.90193 199714.5258 90798.4776 43319.02606 105384.1919 143345.8352 168887.4354 27548.98726 18400.02122 142557.1269 67859.77372 49416.02305 115452.3108 104300.4493 17661.36552 106192.0752 45731.7939 22126.77126 8997.484703 15583.49896 119247.3657 101559.7869 109578.9802 110162.6205 91139.06387 138239.9823 158506.4474 135954.0339 94893.9648 121838.6321 28317.62219 125544.8125 425.581019 447.1607753 454.4893313 476.5545489 520.6776704 514.981735 TG(58:5)_M+NH3_feature4 180305.329 142068.5842 112125.5281 155986.236 168743.9922 139593.991 326371.6358 399368.2927 273843.586 251662.6072 145097.1931 155372.4846 235920.1909 348180.9071 181007.7409 154695.2673 143567.6818 204533.1382 120105.4858 117647.1983 217065.0375 96660.07955 108275.1796 189923.5764 223030.8495 105301.5909 173869.6892 79471.64769 178863.9086 140809.318 172660.4544 269045.8711 132396.7772 231456.5583 180897.5882 211041.2681 211971.3546 133841.5404 147697.5463 218240.1951 131534.6642 278936.3192 165522.8624 204488.9189 172908.2903 146041.0661 75155.97455 285737.274 149916.4752 160660.5775 306054.8644 335582.0312 280962.3385 316315.3301 247818.2222 231483.5731 207766.7208 201709.1816 203363.4842 228391.7937 218206.4838 262484.1966 253.2143253 258.9662723 263.2867313 447.1814979 473.7772485 479.9013474 TG(58:5)_M+NH3_feature5 536919.8051 278255.4453 699991.8163 473660.7818 294226.4252 125772.179 1009570.929 1317696.388 612213.538 1097596.396 324652.4553 409636.816 621820.6986 691477.2863 436295.0641 308790.3671 262931.3646 396110.4462 67755.7389 177951.1965 590561.2004 231164.9568 455525.8792 1531891.175 424079.0309 171368.4343 570175.6128 162263.8278 290393.3468 201359.1849 380273.142 710991.0999 257239.0783 1186747.86 316937.9298 304020.8142 404414.5565 314631.6094 408229.5155 527617.911 280659.9103 1267827.138 340942.0133 373115.8684 417508.403 286579.9857 103550.2203 897007.6261 333003.9749 381944.0112 410174.5307 357182.2726 462218.3701 425513.7293 392600.5876 496842.3028 392327.0036 378664.4048 464046.952 404060.3861 485573.3841 387389.0971 403.4352564 419.7212491 416.7559922 422.9908722 443.0638309 440.9590369 TG(58:4)_M+NH3_feature5 263816.5885 213080.283 469881.2051 359403.2176 219071.1228 165799.7436 594149.5994 526241.4762 322133.4797 668516.1403 192625.1261 393611.1846 451235.429 431329.7825 257138.2271 279142.6298 217486.225 342856.4415 116072.1654 172825.9208 490186.7563 178740.4387 447641.5159 1224764.697 330517.1402 136445.4903 371606.653 102520.1719 273224.7867 171058.9852 268280.973 405636.6822 162123.5617 880306.4064 238818.53 257388.6743 398975.6357 218904.098 239774.7465 409364.2265 175110.7755 634129.9281 239376.459 270270.9534 237950.2699 182598.0847 67942.97983 477575.7031 173961.7447 204296.4619 314546.9913 350711.0589 476108.738 489547.7654 346663.2311 340047.3835 358875.6501 345692.3092 336065.3832 358041.288 346124.1123 344037.2507 376.5885679 390.7188494 401.9616212 390.9188608 427.5201065 416.9533326 TG(58:4)_M+NH3_feature2 125621.5347 96802.45812 112282.8055 200054.5305 94699.96329 101649.1576 118823.5714 143256.7429 148418.5411 171100.1916 116706.4697 200627.4056 97729.92513 119132.4474 119625.9078 127488.6625 160996.6399 134236.3884 128045.2205 152854.1808 150193.0643 154102.772 188327.5748 117931.5551 87978.79947 128841.6754 173250.6832 117469.2946 158251.138 70451.63343 117072.5907 145859.4636 150391.6623 105661.7734 151372.7657 146406.9048 226649.1123 105194.4823 170128.4816 204501.2056 123254.4196 96297.83855 177474.7661 59886.10302 71602.05625 84924.72205 30915.20282 152896.7102 117645.5238 104811.2868 137042.1679 190818.9399 340851.6394 268790.2245 120326.2221 152853.4203 99559.55232 92741.34777 110114.727 106307.3558 141922.0019 125286.5696 384.3827327 377.827117 391.4912181 441.9830944 454.9591741 460.2856586 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature2 157389.7995 106160.4033 384936.8355 196149.8726 137540.2422 96091.98479 546822.7578 755520.6664 245859.733 792657.2476 120117.0081 313480.1686 297110.1021 389756.3092 175583.2287 173559.9128 139053.6658 255260.0281 84257.55495 92406.43557 392874.3002 112692.5321 359017.9648 837570.6356 304868.1998 57301.05201 276764.632 46652.67869 151319.2539 95269.3642 192986.3655 362181.2563 103546.6979 1671901.578 140957.73 171661.5947 348564.0276 121591.2278 145268.7881 316190.8023 97579.13439 612277.1421 162670.4323 138969.1244 164143.0304 127348.2522 21272.15083 409229.3796 102953.5765 113485.6373 180082.7872 165295.4436 390579.0241 357453.0705 251319.9209 255877.9418 244641.8009 228773.9249 241903.4159 259279.728 239179.5899 254170.9119 421.9897642 1288.385162 451.7209058 392.4986841 2295.457085 533.8321149 TG(58:2)_M+NH3_feature2 103038.1396 70275.87166 211166.3405 120680.0425 100139.0567 65697.99421 296879.7033 422900.0649 151178.5388 388592.6755 68688.13163 168644.0513 170587.9387 188503.3548 119945.5359 99552.73153 78799.11114 145308.442 64503.96395 52915.48769 229343.1171 77988.48598 172469.8659 322468.2853 160380.877 50018.98828 167772.9159 54290.59912 94408.52682 75266.90888 102919.723 182958.9866 80492.90747 724462.2436 74188.11765 118857.476 199234.1004 81995.03338 89526.29128 213192.3838 64369.22006 293878.0606 106511.0924 81456.83357 104841.2605 92228.48109 22871.22988 202403.1564 62518.49297 65012.94674 129201.5908 81160.63472 150587.5787 157646.1164 127109.5752 141738.4716 174468.9887 152381.7115 145375.8778 158419.2476 138125.5693 142182.9707 447.9352395 453.083423 440.2550462 321.8849102 378.8086854 529.4393841 TG(58:2)_M+NH3_feature1 64021.60621 59497.20221 136708.2821 89657.96399 66255.42585 47936.76398 174685.0096 120356.2931 98172.43954 301516.5217 43840.50036 83611.4782 136541.077 147163.2811 73365.60583 68573.87079 77601.85193 109679.2989 42080.90908 42353.3211 80265.09479 39641.58935 40647.73579 257585.9459 91045.24302 21633.21654 94521.68649 23734.00889 48558.12948 37874.40319 15191.37101 47762.66937 51680.00868 246394.7086 70613.78619 67981.24976 103399.8752 46427.04812 43437.98429 128372.3378 35110.99389 196029.6337 63443.43734 63673.02406 47786.44834 44149.88022 21497.9994 146488.8021 46482.81478 65857.42271 138296.005 160968.1324 201665.198 258327.5295 105413.0218 93356.13033 89382.68038 93382.76436 87574.15954 96301.59078 93080.37091 108178.5944 227.2222772 250.209757 246.9294904 424.2977266 476.0138688 461.6717999 TG(58:10)_M+NH3_feature3 91438.12252 51209.62421 54938.22649 64928.49708 50300.45349 52880.03177 172193.9668 235708.2659 137860.7064 160736.1835 67067.36758 99692.22118 109497.5939 131931.465 102427.4533 61801.04752 49439.95272 68280.21207 47155.49063 49379.46053 118395.8265 67739.93014 114239.0852 252440.0545 121621.8409 70860.95558 117993.4988 30159.04522 77060.25491 57273.89772 107602.8277 132358.4273 69666.25042 206802.1189 89325.8101 93613.70922 97132.10487 123560.9257 80504.77331 133861.5518 59662.67555 259848.4722 68886.55556 95083.56531 77298.5826 96964.00072 28914.4146 153699.2254 59943.93981 59683.26099 112565.0551 116440.1984 87022.22138 90522.46149 91175.00872 91554.265 93469.86267 91495.76739 95513.51261 86494.64847 83862.81601 98974.53098 293.9022341 301.7728827 319.0109271 312.1514352 307.0792881 333.3583699 TG(58:10)_M+NH3_feature2 319034.1136 194032.3615 216136.4927 227754.1091 146216.1061 174896.4669 515516.8258 491193.6491 379045.5413 410213.9159 161367.5061 242516.2258 327281.2925 276143.9342 358891.5483 189126.1558 173630.5812 174087.0588 102808.6998 143656.0723 393197.4071 327959.4082 617083.0199 632433.6368 408211.6295 302012.3127 289031.6335 122118.9209 266342.3083 185164.3333 280566.6674 441505.9944 204754.0093 547936.9755 323784.6693 375100.7584 285276.1035 304883.8066 369387.5203 381109.4745 241732.0707 523608.2754 241864.2134 284325.4049 220664.4949 335739.0966 94884.25941 339257.2616 197023.27 192242.4538 228372.5687 239167.0307 264801.9429 259175.9816 260322.3265 271736.5519 259786.0793 283588.2125 251861.8576 275515.0971 265185.4455 263172.1547 297.112097 316.0141725 310.7832254 333.77951 366.4704289 377.8978843 TG(58:1)>TG(16:0_18:1_24:0)_and_TG(16:0_16:0_26:1)_and_TG(18:0_18:1_22:0)_M+NH3_feature1 28400.89554 19398.33515 50028.84948 35477.64375 28930.25897 20362.38598 69707.14547 119054.0984 48596.37772 92787.24388 18267.13778 39287.31528 40976.42239 43949.14609 28389.08816 30074.92657 23615.88306 38939.76995 10681.46745 17777.15528 61555.05861 23450.163 51957.87171 97467.70203 54751.88832 11743.19931 45294.80907 11804.87572 23269.44855 20229.04616 28861.29301 48315.85723 23671.73377 153657.2919 23820.05319 31479.74748 43465.32211 21665.85145 24597.0108 43795.17307 20945.64855 67429.43977 24503.81604 23342.29037 28218.3216 20727.09439 7035.332963 50836.76576 21243.38857 19208.01275 22000.04284 19315.3319 36115.45093 28487.95709 38776.1155 38885.63902 39912.35972 39501.26382 40860.06215 39686.07861 39593.24053 38313.52699 513.2749466 495.0919738 447.8904707 369.2368419 1016.503433 498.9178904 TG(57:3)_M+NH3_feature2 29893.00286 20019.84643 68588.19329 42308.66417 25160.45089 14536.08466 113735.4256 101351.9738 35903.16517 161820.23 14711.48266 43234.46073 40441.68683 53315.85574 21961.13299 23145.45137 22185.26146 27202.49595 5213.883917 7302.190884 61878.213 16985.36895 62868.59708 212690.6739 58881.9161 10190.00109 35189.44599 7077.628156 18453.51709 16685.85051 23580.8161 83431.53241 12448.39692 258699.281 20514.4686 21987.38551 72692.31914 11644.56367 22922.82156 73144.92061 11861.56112 75375.11004 15841.9181 21152.10423 22616.96032 16252.97647 3043.16489 50781.98322 14208.17365 19625.05231 44450.30107 39827.02958 91997.40327 108914.2898 40144.34232 38046.63346 36730.38323 36644.97864 37578.85138 40575.96576 35373.66692 40277.50858 417.2707698 426.2756782 414.6297778 498.5217632 523.8229672 497.3010149 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature2 623869.7648 275740.8134 560426.4151 430902.0798 268603.5906 186119.1493 1598169.655 1975160.247 966373.9753 1698171.028 547132.4088 896159.4397 1161620.091 861382.1806 582367.7926 489849.4978 315959.8387 713911.6843 281707.6089 264464.8416 1050844.457 365034.2405 867266.7364 3158966.604 758751.541 208515.1017 806251.0886 191542.385 597848.5628 357555.6986 590375.6756 668852.4033 286292.0227 2539215.19 483162.9645 504710.977 560584.9069 339561.8379 446817.2473 619486.6974 287782.7856 3694735.7 458190.3752 660618.1042 454827.5647 339232.5173 128171.2897 1514746.208 312817.2799 283660.6447 914895.8449 1125497.226 1212128.218 1397939.625 665723.9298 646265.2845 704727.4559 689843.8775 472331.6787 583523.0339 709754.337 702986.2649 408.513378 919.9946477 443.853307 1002.147284 463.2532289 464.2705326 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature4 1202561.968 722063.6016 882834.6957 922979.9476 662039.0917 716999.3802 2355422.411 2353427.293 1460329.067 2096269.09 795694.15 1237469.075 1751380.392 1704781.893 1495891.454 868993.2376 770244.6863 969911.1104 448281.7078 572041.8396 1967554.616 1165086.503 2318669.595 3430615.671 1644330.058 910444.6119 1166763.911 381308.8697 1078640.801 734895.8845 1287309.823 1658512.238 836395.9084 2669697.047 1350925.618 1372767.377 1216810.543 1117166.044 1317395.22 1564902.88 960453.5666 3032077.253 941530.027 1008472.293 930968.44 1094338.475 295593.6617 1533348.601 676432.3509 664325.0839 1059886.883 1058470.702 1086910.538 1209477.714 1150876.356 1218549.945 1239322.555 1307680.873 1237269.639 1286764.417 1139969.12 1203212.269 311.8624575 325.6534937 338.3724914 316.3770204 334.630453 344.5921597 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 2392651.309 1899843.327 1894512.965 2381660.796 1730949.527 1702607.376 4795059.194 4272755.901 2962746.403 3372090.426 1774523.854 2676839.176 3783897.05 4471915.165 3856590.319 2338667.341 1810628.991 1907452.816 1390243.591 1654499.979 4072414.356 2123565.901 3936913 5584449.851 3713957.644 2202108.314 2495061.348 1339374.291 2558782.087 1637886.442 2718202.553 3316277.244 2058956.174 4556230.756 2874435.054 3234546.146 2650439.678 2771349.062 2469998.954 3622460.469 2408048.922 5448009.937 2507989.872 2647275.209 2510012.674 2901588.838 887197.7603 3976111.32 1956519.054 1499199.681 1950070.904 2054201.104 2250297.16 2025828.393 2820955.275 2680002.236 2751934.686 2836288.203 2697664.384 2530998.281 2940518.226 2739716.605 742.9985816 1670.026804 1629.964781 656.9491131 1329.133756 1350.65698 TG(56:7)_M+NH3_feature2 49101.976 23673.29543 49264.44498 47533.08439 26150.79683 13925.02127 153153.1736 199020.5851 92125.48665 120855.79 55511.27466 87729.60783 93699.37201 122758.8588 62670.17893 31706.3868 24583.22246 54277.00705 20928.13084 20920.15194 87497.58098 30739.45211 71999.51638 314064.8866 62051.66595 11799.05133 59434.07634 19146.67444 51779.31583 26586.02609 55593.78871 98886.97814 29846.29065 169634.1732 35766.96003 51098.91303 56261.02075 50368.38475 47619.93532 53261.3589 21443.30722 348015.3568 36133.14139 61041.03259 40655.64278 26755.13768 10759.73113 114108.7797 34739.27486 35757.86924 95880.00528 88679.10896 123495.2781 104519.9061 54044.75481 57926.88675 57905.42883 64773.14091 67765.24777 62596.65758 67342.83474 48082.92649 453.3987218 507.5985585 486.9740204 395.6662776 360.3181286 363.7010748 TG(56:7)_M+NH3_feature1 91604.86526 49006.28398 62395.26228 58700.38027 54013.0146 60320.60798 123281.1935 102885.0301 90661.21463 91060.00218 35514.47965 53686.86367 87365.9639 75310.00311 113736.5457 57827.67993 61843.80256 39197.71695 24740.01331 32309.17493 125683.0805 105441.8704 192802.8123 37046.89047 119341.9343 76937.00503 53282.25457 21329.41676 66668.8185 46873.83903 94732.36867 103298.4994 60516.63076 115238.0315 111484.4045 109025.0454 71780.52702 80629.04304 106076.3103 117784.1607 75622.00574 63823.93656 63578.39595 54360.7885 64821.36563 83974.93667 22410.96211 55614.57398 43020.91267 32802.75875 48366.58121 53583.21731 40432.52618 34071.54391 63018.91318 70189.4408 68900.85392 79919.01223 72708.36525 71630.56926 56328.01624 72786.1794 99.3577309 104.9336942 106.9438238 114.4308896 121.2547461 123.4402501 TG(56:7)_M+NH3_feature5 3188169.573 1429935.401 2455553.882 2304027.107 1254856 1004400.24 7769246.137 9736981.368 4787436.405 8028335.51 2571220.764 3482512.229 4817710.356 6643427.454 2901616.222 2301564.027 1318148.217 2875483.95 935363.844 1122916.516 4719677.118 1584123.391 4239031.19 13536027.03 3037192.12 1072283.508 4008930.918 705554.8159 2351779.617 1605485.76 3058011.864 5013051.421 1187707.472 10406006.66 2212750.44 2445083.014 2702398.844 2393110.891 2061078.549 3496360.636 1512772.091 12580054.56 2343293.118 2685760.794 2317228.998 1936598.05 500347.9996 6668424.168 1391177.645 1960440.862 4635591.835 4533495.872 4983569.932 5303542.523 3155585.696 3304109.785 2943909.018 3487070.035 3036441.214 3325958.525 3111428.996 3196459.419 360.0439688 363.7019215 365.6054513 375.9379041 388.0113457 419.5937593 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 4237294.089 2603515.861 4799858.269 3755952.293 2026420.868 1807952.853 12490192.59 15106823.34 5686697.493 13340804.11 3259710.193 4538888.862 6875032.828 6475867.985 4457131.053 3406690.87 2225126.196 5262684.464 1389629.828 2130849.98 6622058.974 2068373.759 4864070.361 22701937.54 5924679.15 1330607.052 4703831.445 1089272.356 2808719.449 1980992.363 4516382.924 8066361.082 1639789.997 12397954.55 4681794.851 3027181.97 4480039.619 3279552.957 2669518.739 5193867.57 2033193.706 20871265.43 4202030.886 4517030.778 2892777.834 3598298.748 864072.3762 10638280.11 1955437.857 2742527.912 3411505.837 5451239.087 4437875.549 6264869.005 5310338.836 4011759.222 4783750.228 4073232.501 4429144.958 4421187.073 4870678.645 4847884.416 407.3646008 421.2657951 435.9191683 566.4027446 602.2588851 588.3705887 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 945728.8646 664669.4124 1044749.65 959857.8956 648246.9187 454312.8254 2205263.893 2845896.906 1547297.184 1672053.898 733368.8392 201719.0746 1423454.643 1519553.63 1179722.696 1005346.839 501388.1368 772622.2422 525458.7919 604017.0418 1339873.484 733441.4485 1276515.284 586005.6591 1390367.34 557630.2828 223472.9943 384020.4868 950139.2437 628660.4061 1098709.249 1480052.097 729772.4793 2091782.82 771818.0608 772321.9171 1111892.207 938070.2078 912863.9924 1325279.255 672836.1213 776357.6251 298905.2787 1013328.09 717619.5412 839015.9639 267217.5633 1654101.488 724815.6523 910184.7188 1586657.075 1427804.893 1488850.653 1204305.09 883721.7606 1204851.417 1190000.016 1200886.633 1055088.571 1113537.698 1062259.497 1073238.655 896.4320363 926.7710217 932.0836612 781.6985998 793.5239156 768.136072 TG(56:6)>TG(18:0_16:0_22:6)_M+NH3_feature5 740757.6772 567743.3325 722113.7955 671918.1951 535884.7849 553146.3238 1353646.035 1537198.389 925394.0603 1169578.365 453213.9277 589147.3181 1102327.285 1095841.477 810918.6473 421362.8002 508541.1926 491518.5859 148584.3207 378293.4384 1189478.334 601703.8061 1160744.419 1534779.681 658256.399 557157.4907 674960.8811 142613.3567 444307.6253 500473.2711 762984.7268 951037.299 434989.1847 1439217.325 636562.1902 758780.7225 765607.9097 607418.4261 664546.3825 928669.6504 401750.933 1608847.926 386903.6404 644336.5995 627205.814 562833.3357 176018.7829 904194.0582 447441.2388 397398.8348 609558.135 561868.9718 604638.2496 634829.4193 730134.3247 734369.5806 757280.2378 732712.688 721007.8579 803439.047 719525.4037 723874.123 710.7695651 709.5923593 724.0416229 682.0076201 708.8454942 706.0330133 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature3 1126370.979 1231321.567 2350169.006 2172921.161 1014109.904 597913.0737 2783773.906 2114206.704 1581368.145 4627165.987 1035024.256 1507447.927 1521986.413 1775181.984 1133398.433 967193.7266 879933.9322 1503234.393 756225.4925 1017168.58 2011304.808 950669.7856 2602672.837 4350188.527 1254913.935 676430.1739 1074946.731 649266.1648 1739969.12 891403.3221 1342780.161 1230530.131 964064.5012 6436178.807 1346381.969 972874.871 2132293.822 933561.8088 1303920.538 2927779.149 898368.4235 2453393.625 135472.0501 1109326.48 884386.0919 1260108.571 348443.2869 1633458.256 504956.1893 1215930.007 3008837.814 2170429.452 4162085.757 3146321.414 1549645.62 1563374.682 1814737.819 2043791.407 1525995.228 1524507.405 1704563.92 1689332.892 550.9482612 599.1553078 543.218615 366.9076008 370.2870108 351.3989607 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 1583721.97 1075341.565 1945326.045 1446509.66 1142729.985 929573.9789 3310436.214 4725791.98 2278711.217 3143301.315 1440074.681 1560838.244 2445846.448 2870185.163 1625239.973 1434809.893 1012096.208 1428760.239 608289.5999 831011.3023 2653166.538 1107759.884 2070976.219 3991195.212 2086278.514 781702.6057 1953918.185 570550.7498 1396560.423 987179.7336 1780852.623 2416259.681 864158.8493 3328225.483 1442649.183 1474298.427 1663718.396 1185655.329 1250072.326 1973239.938 600277.0279 5641611.185 1385729.271 1748470.231 1014895.651 1094243.569 410244.7007 2867250.911 1015104.629 1217305.625 1922336.304 1921339.593 2229878.248 2118491.21 1687635.805 1682908.116 1831070.21 1795690.058 1826828.692 1857651.456 1714384.043 1663988.776 404.7636794 410.3452762 414.6436442 370.1115012 382.286901 408.7245753 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature1 1867325.481 1337355.869 2199023.767 2036727.157 1429721.883 1016628.024 2060319.042 3025366.453 2087121.088 2675433.464 1598550.114 2527512.804 2610096.711 2475261.883 1725316.535 1814347.56 1387776.526 2122297.125 905788.7641 1251029.137 2678173.918 1106923.569 2299862.424 4468798.566 1163682.391 632510.5968 1968073.524 648567.2477 1751181.973 1117800.648 1498979.799 2572930.063 1144474.402 4468957.405 1344564.256 1608924.875 1858166.582 1368205.634 1428697.459 2373384.643 1113514.61 3268886.912 1512782.142 2099714.975 1378578.636 1172879.822 472112.9336 1720147.664 1464437.145 2091596.3 2762912.849 3454313.336 4027679.046 4824572.623 2650307.342 2507440.442 2434319.337 2155795.783 2188791.455 2227991.517 2589504.658 2833842.553 729.1536823 1628.135969 1864.715016 1173.265215 2397.284906 2413.253085 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature2 540353.2363 431726.7951 844465.8743 616799.0983 437427.3515 297402.9184 855117.6761 1105825.349 615046.7391 1082752.134 400206.5822 478492.706 783156.5614 683158.3152 406720.0246 558606.891 348684.578 600896.0534 241010.4536 25541.17128 635296.5919 391134.0524 686369.4369 1096845.679 569383.0793 17504.74273 451860.8137 27715.46199 438923.5701 337369.0687 505077.6159 717858.826 335546.682 1229594.244 378283.0161 569924.6492 734573.6468 361252.8105 383148.2946 777313.588 20453.49722 851162.6811 392844.964 594522.3803 391081.3023 293132.2861 13985.59573 586756.6575 359693.8433 537358.5639 1071747.265 1198126.493 1315219.274 1402180.217 718892.3481 650222.1888 656922.4918 622604.4207 584643.1664 712563.8937 642576.2287 725516.1389 239.9934248 307.6627474 321.5681223 385.1627886 388.0974508 399.2184714 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature3 122018.4247 73051.93877 163228.0312 127074.3015 79279.39377 59671.74726 266894.2737 394696.0917 156996.2884 266937.0059 98328.10492 96940.98515 173815.9241 241479.8577 106740.3321 97255.31164 69555.413 84751.64051 34928.78507 58554.86619 197696.7377 67708.59635 152635.2094 325839.7296 155387.9096 48877.7717 135948.5865 35045.32386 106204.7391 67854.43864 147527.5027 182703.7426 45485.9997 293340.5776 89879.16712 95259.05989 108392.4151 91087.8238 100087.7121 138757.4736 62676.94287 533720.4991 82323.73656 137690.5428 85620.21792 71289.40234 24055.1941 244135.5599 71145.42058 66572.5478 106456.7802 123220.3695 138663.6465 140887.616 128372.3472 126229.1936 130581.8014 117182.985 124663.9092 135590.0394 130826.393 121906.8716 338.5984336 342.9343207 345.2654687 268.9651875 280.9735633 280.5866377 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature4 2600728.343 2288522.983 4727757.01 3631430.031 2367069.306 1167908.609 5349757.445 5347811.215 2892168.155 7429922.517 2243295.588 3502609.19 4420921.158 4991890.598 3188728.668 2963206.221 2349255.631 3592824.048 1241583.652 1965687.528 5000691.074 1754974.509 4486072.025 10977277.32 3366081.213 1119534.673 3981479.761 1002429.833 2769278.541 1671020.985 2634433.859 3804999.187 1381181.376 9577639.789 2582317.921 2337121.197 3978952.107 2026420.104 2448968.05 3877065.743 1484112.753 8261465.832 2616939.97 2872282.537 2004230.068 1752772.992 585350.195 5204678.004 1663756.519 2651951.1 4068181.187 3990634.672 7497970.98 6169176.419 3385641.888 4010710.037 3687845.534 3517984.577 3636811.487 3665491.76 3622132.31 3682192.151 481.1217495 578.5864651 550.6485211 514.1712745 454.8481553 459.5637469 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature1 2078243.621 1907082.294 2954467.621 2550126.677 2178372.514 1494474.5 3142185.113 2760678.263 2344304.379 3069184.246 1928716.005 2834388.168 2516275.908 2924921.832 2039878.649 1957390.175 2007304.83 2456055.55 1645528.095 2378632.545 3035899.891 1504548.001 2238948.78 3710424.918 2093426.838 1509816.667 2373805.69 1625258.187 1977483.263 1664574.493 1558860.674 2591876.009 1488770.738 3240050.984 1583959.667 1991767.338 2227459.581 1503316.66 1668923.137 2902549.277 1903106.113 2432184.454 2019038.621 2410712.452 2019047.016 2143801.371 1177195.482 2811003.334 1752482.123 2509710.328 2864597.246 3229890.303 3740660.274 3903736.505 2720643.93 2603835.019 2398873.507 2299778.578 2236648.116 2461842.102 2424577.666 2974142.57 288.9913899 2638.566736 1759.550747 473.947271 1408.003777 1226.109638 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature6 183077.3882 162046.5375 232224.2138 205060.1574 130638.087 188333.9315 197771.9153 487838.6793 127876.8265 267018.7031 86837.6556 166063.7086 209771.4598 289215.5523 214735.4722 177068.5318 155854.1263 147516.1361 80622.74687 108478.7505 249924.798 174323.0713 243806.2372 250952.7066 218200.6918 128590.102 203986.204 84060.90061 217684.788 133421.8965 211602.3827 309475.6435 150113.7759 329035.4105 169053.8946 198764.954 262129.1258 212446.6505 174720.0998 275975.6086 134146.6744 259847.5758 163085.9364 206966.9318 192104.5162 169193.9296 61700.08349 190034.5241 148622.8882 159972.5005 230515.8009 207681.4485 261341.3307 232154.292 175085.5218 194032.4324 221767.1547 207045.4176 203236.3306 208911.6793 193613.3426 186285.9982 332.5439955 348.4955337 388.5217485 285.5723101 310.8332594 306.2698645 TG(56:3)>TG(18:1_18:1_20:1)_and_TG(18:1_18:2_20:0)_and_TG(18:0_18:2_20:1)_and_TG(16:0_18:1_22:2)_M+NH3_feature2 1683861.482 1454466.653 2627970.073 1808741.992 1671247.771 1274413.698 2393275.715 2762161.518 1990801.338 2581024.432 1257735.847 1605974.705 1782527.492 2271950.051 1494703.376 1281484.168 1483992.418 1800948.631 835482.0688 968419.2179 2139468.057 1266987.31 2035075.101 3033448.219 1763841.988 746658.9259 1546792.22 929590.8266 1583887.974 1154791.601 1221794.225 1971954.01 1339261.571 3186469.868 1431218.563 1705670.505 1871357.377 1158548.676 1329464.898 2047183.969 904484.3897 2450997.323 1581339.706 1814467.29 1389264.16 991416.3372 687524.6975 2120511.045 1238422.8 1709973.559 2644503.202 3311648.265 3835007.757 3499825.835 1926806.599 1868498.577 1782617.256 1578037.667 939629.7776 1776017.989 2063428.16 2072790.177 1109.625047 1508.989264 3962.919516 593.2838072 3125.190678 629.4951683 TG(56:3)>TG(18:1_18:1_20:1)_and_TG(18:1_18:2_20:0)_and_TG(18:0_18:2_20:1)_and_TG(16:0_18:1_22:2)_M+NH3_feature3 2319452.42 1753169.236 4367143.654 2989092.085 1921760.42 1140409.931 5434912.799 5866451.3 2847981.993 6763328.396 1832691.787 3389018.522 4380610.199 4326877.764 3223216.944 2717047.437 1808190.468 3040304.644 851709.0964 1471555.23 4694566.345 1065835.888 3655123.422 9901355.39 2924746.691 916771.4518 3199402.937 836544.338 2307440.869 1455753.438 2221222.888 3580128.004 1124035.539 8849982.251 1741949.332 2085278.479 3304431.378 1775551.325 1703785.51 3351283.752 1350447.362 10226314 2096530.141 2109814.034 1998889.282 1416089.517 497942.2178 4209079.533 1416238.809 1832471.317 2624894.755 2920317.939 4280357.148 4483144.066 2995849.711 3015497.692 3285760.66 3026700.877 2921961.97 3111766.344 2926455.864 3152634.459 1451.604625 990.29846 699.8279593 607.9422447 1225.121455 1131.695897 TG(56:3)>TG(18:1_18:1_20:1)_M+NH3_feature3 19233.59273 14003.12435 16687.46529 17153.78693 7591.869081 8862.842758 29782.46661 62714.53982 22035.64009 31519.02811 11479.8039 13361.38116 55174.83623 25587.51574 46337.16455 10681.33749 8675.385102 9138.171993 4445.06721 5557.458095 18073.39711 7554.620757 15102.55739 47652.60913 17188.87453 6418.231984 18209.45401 4871.343251 8495.84331 6113.313216 23368.32376 24163.76468 8152.979128 28334.83307 12612.83819 13564.42952 13502.4076 27686.94175 11171.14938 21514.10477 9183.764073 48744.80298 12063.14055 14207.74276 12271.11585 8800.327736 4101.066205 27273.16294 9603.977503 8794.976662 17886.9205 8078.459232 19673.7535 7950.761799 14240.56242 12069.34679 15365.10579 14372.61398 12788.76764 14460.66322 14066.58564 13518.29684 259.5797432 267.6361798 263.3774631 158.3861058 168.0619524 165.0609203 TG(56:2)_M+NH3_feature2 1578653.294 1407735.74 2636369.47 2068628.166 1542924.527 1177189.427 2722024.905 1424479.085 2047422.972 2716726.071 1245520.158 2056044.666 2461116.423 2562015.372 1621058.902 1593745.806 1600166.959 1973934.688 1113792.306 1045995.433 2461945.494 1117390.459 1861097.504 3316988.543 1811556.554 631268.6751 2041153.119 731465.6446 1532836.402 1164816.022 1289353.625 2208301.971 1257334.994 3862682.936 1193890.323 1359654.693 2308829.265 1361277.978 1057591.153 2259456.341 643253.4269 3301568.081 1690690.719 1704694.209 1506525.279 1204114.441 588300.3632 1757576.003 928047.7515 1776097.101 2918522.264 3118749.143 3394935.438 3451027.616 2356719.575 2086590.61 2103249.497 1987905.582 1877423.087 2033500.168 2242902.025 2399465.919 942.5784159 1192.006061 667.6645564 551.9629416 526.9738777 617.0976568 TG(56:2)_M+NH3_feature3 532021.0723 369800.9119 1192554.918 668124.2078 469791.6833 312462.3118 1500011.173 2331696.839 870995.406 3297915.389 371873.3086 998717.4625 1109008.162 1167979.035 590750.6341 588136.6858 530227.7546 904241.0851 211604.3584 260561.9981 1474429.116 329349.4927 1055778.01 2736546.873 1058450.523 169339.5468 924933.5521 189409.9246 487160.229 341474.7581 703588.6177 1100112.486 323276.288 4287989.801 424815.2831 673134.7511 876018.9422 359393.3002 416279.4183 1245436.541 294727.8917 2233157.026 590153.9491 461985.6579 612199.5004 355238.8295 112870.3177 1381069.944 320063.8173 398977.2773 659895.0936 969688.2969 1842637.492 1478372.799 748103.2988 990586.2993 770390.6079 706652.6598 718293.7369 870920.6033 745136.1093 879863.4414 343.3290695 362.51774 397.4473776 317.9319884 540.1987952 645.5775435 TG(56:1)_M+NH3_feature2 75649.89024 55208.5232 163125.4431 95077.52369 74051.67865 62656.67014 182410.6969 353554.8406 120992.4665 284977.1102 46099.30631 108166.1822 122344.8687 121748.6401 73748.24559 70332.3936 64306.60271 117720.9024 45547.14321 37000.13392 163649.8071 53572.959 136534.6286 301056.9494 138081.4839 27594.92666 111503.8065 33754.07139 59138.40972 49756.27275 75763.75461 165111.2023 59071.51093 437819.6794 63872.64549 78213.3915 132265.3655 52154.92383 60883.71716 143808.8589 52458.57962 209996.9103 64852.01517 60651.78144 75015.3494 64284.97423 18510.61172 153941.3065 50316.73973 55249.33887 86672.80867 76987.03563 148849.9765 121355.0589 106545.8255 100752.8397 113005.0669 100515.8801 104093.0277 106850.9173 104377.5768 105935.0347 342.5853467 640.4179444 381.7115625 336.3565199 368.9225487 475.6513158 TG(56:1)_M+NH3_feature1 232795.9863 186929.7659 457235.2604 269091.882 224234.3294 167695.685 317094.529 796258.4716 406406.1478 851843.0793 136901.6197 196945.0516 336395.9183 474588.0807 140104.7241 191137.8348 173259.2238 282235.967 133055.6348 93700.39878 454417.3138 147034.0074 217373.3709 708943.3044 330538.0707 50790.50817 216426.4995 44210.87071 160499.2482 108877.7629 139430.1587 352803.3654 204004.3072 990502.5525 215866.6247 224634.8657 354629.6776 153514.6082 122079.9249 368358.668 108564.1981 734496.1854 176705.2259 197886.8093 154138.902 128717.0677 62969.43999 429954.955 150397.2409 226560.7141 610126.9566 615428.8262 642160.5614 726603.9379 339598.3221 312779.6587 286068.244 276112.6764 280955.8572 275064.7135 324693.7096 355307.4169 195.412491 208.3348914 199.2362618 314.5903008 360.4756499 348.719774 TG(55:6)_M+NH3_feature2 81023.52772 63053.93244 101688.4913 102846.6017 65994.20666 51746.30425 246354.1605 342077.0474 155551.414 304448.8353 128198.9189 135892.927 182125.0367 230377.5398 65422.07281 101112.7115 66570.10609 72595.35371 51584.81019 59488.70373 171913.3161 70244.86993 89914.34402 375494.2819 150238.4054 45265.23092 85759.09238 46075.86875 40242.11957 72412.87302 122773.8493 136986.7795 30417.96346 333734.4044 109512.4622 120965.6672 113516.4547 104630.8157 50386.98913 85395.143 74893.78742 300643.8708 102700.4945 80986.2504 59208.10593 75219.08075 23196.04954 212492.9975 36727.54755 69685.12447 116826.5396 136351.1371 221750.8432 129717.4161 126824.645 148449.3376 87049.55683 129390.0802 139905.285 133470.8669 140929.2177 111476.167 1692.272156 3749.947914 4262.004424 1417.527417 2862.551629 2847.649627 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature3 41956.97377 19384.52388 58055.9473 44500.50073 33848.24241 18273.76884 55654.53085 46297.53044 78413.98619 90813.79211 35163.12807 47229.62923 67851.17729 70967.77418 60003.4547 33610.03675 33677.38722 43092.69554 26125.07391 14652.29487 60924.38512 28422.19834 56923.67899 14590.38076 47916.05891 15905.63919 54186.34741 24958.19153 34961.15171 23937.05199 70397.6312 68631.3198 39931.18199 24488.19263 52461.99221 30196.44998 39046.42369 38275.76725 32926.50151 87691.67407 18096.19559 57312.59639 53469.70619 38175.33671 37624.83379 30981.89734 15728.67517 53030.68605 23108.54831 46005.61026 76611.70281 58577.38229 72984.74841 60206.70071 53589.80449 54482.18203 51081.19661 50238.58692 50434.75252 50416.69624 55347.39308 52834.83404 481.4026284 490.6253048 490.6611479 422.6238327 427.4982286 413.8588835 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature2 96250.31133 36286.62855 151681.3179 87924.47781 33286.89268 25979.06767 352672.9502 396842.4284 145437.9846 499725.1673 89990.23576 150789.4721 187838.9629 229775.3908 95055.1977 87558.19731 22716.97442 108196.1759 23434.52223 29859.62254 226024.4059 30315.077 149662.0124 761993.9771 124833.0652 16582.88543 138984.6298 16055.03614 88175.13499 51508.6452 112861.6442 177805.6742 26256.0345 786469.9665 38721.41048 46142.5335 97085.35065 83145.66123 40711.04279 122340.8905 35564.63716 702796.5217 78763.54892 101957.6435 81387.94949 30328.12412 11127.88369 259741.2949 30979.35059 64898.82545 141509.1329 152961.9924 211702.4232 310023.9911 126208.7203 123503.0089 124301.3065 131913.3635 129943.5302 124393.0942 123409.015 126435.7538 478.9858387 493.5328751 508.8372614 495.2526266 523.9719185 579.2378916 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 180266.1226 124767.1388 372144.6943 203513.8733 113804.2768 61736.55891 655041.594 916972.732 245339.8659 803492.2287 159871.1955 267537.4371 360869.0017 377043.9006 170878.7518 158192.8782 89793.19269 197759.9526 35128.85114 80496.41703 416911.3626 76869.95206 292238.1641 1593695.573 225233.4051 45882.69719 284211.323 27890.34785 146297.8329 83062.87719 188228.7146 347844.1725 57147.17163 1611709.056 107429.2199 139192.9836 208218.7242 129261.1218 121475.6816 260352.1329 74875.13338 1119438.45 127532.5689 160493.6123 132893.3709 81751.765 15301.4763 470450.5595 85061.52663 108656.4077 258161.492 266605.1322 431355.1868 405823.3324 232053.956 239392.8963 238012.9956 244388.6614 222530.9655 248561.6402 224222.5035 241793.5324 424.8111874 424.2110719 432.9548716 421.7918873 485.1912224 443.831613 TG(55:3)>TG(18:1_18:1_19:1)_and_TG(18:1_18:2_19:0)_M+NH3_feature3 507080.0353 334986.7743 1126807.081 637619.0374 276211.2084 155799.8736 1413159.875 1706623.027 286787.2599 1746856.978 349199.3922 612246.3813 929701.4448 679875.5224 353440.2031 370030.541 203313.7685 340333.3483 126664.5395 100613.8314 1178733.121 152874.9076 771764.861 2882486.095 522472.3879 94922.70519 622615.404 112467.088 300753.8545 189216.8755 364029.5299 982424.1214 175229.7401 1823780.486 190872.7233 295522.2812 643900.4382 133261.867 312566.232 555753.9137 161152.953 2624018.619 374022.9621 395501.8471 345202.0826 232487.5718 62734.31377 620411.0179 98414.14109 413052.196 514180.9267 588494.6453 671277.2723 943600.5512 442710.6007 539057.649 632933.236 664842.0808 437286.6543 601947.9537 464128.853 550597.2377 500.5867391 604.5113017 519.9819446 527.3648417 534.670657 520.5655425 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature2 299217.7179 201529.6619 686565.0026 374287.0789 174997.6331 171796.9256 742514.1663 1273618.904 412121.6711 1057795.048 219467.9381 382870.9089 482356.4044 549925.7187 282958.2964 308819.0566 209291.3873 362103.1555 90332.25294 122565.785 606044.3694 184743.882 472724.6925 1255873.64 392742.1882 59079.23329 352892.1406 73590.15232 237145.1158 188768.1715 317859.7628 533704.2394 163225.3255 1442546.002 223705.5866 233088.2727 443722.8595 199293.574 213904.7175 472472.8842 151608.9737 908076.0265 224993.4381 133855.9159 234864.474 153910.7244 53225.15222 568236.4096 173267.0388 220152.3987 385283.8271 442529.9955 594137.8711 649670.2092 303299.8156 334076.4742 341571.4475 398790.4552 380873.3097 391535.4648 359099.4788 266384.9933 419.5442834 509.8731705 415.7431748 458.5654122 601.9838299 456.4139192 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature1 8143.769493 6287.985068 18960.59097 11820.45247 4797.599372 3214.686256 30909.681 26731.31375 9177.820516 32494.73573 5336.266355 12615.53166 13690.90231 16746.99523 6788.439234 6747.163269 3056.429756 5351.168361 1936.418345 3593.92499 21942.09194 2508.056091 13006.90306 43477.31576 9919.362474 2241.99724 10535.03644 644.2422457 7052.774814 3437.385319 7261.41251 13706.47439 2719.366473 46896.89733 5131.044399 4160.466112 9582.597851 5977.250355 6412.840682 16505.08751 1637.527265 38667.46857 6074.954571 6160.493241 3842.93036 4622.049507 1106.841464 19330.82853 2611.447151 3947.835391 8934.685173 6870.968155 19384.1145 10650.42842 8083.957299 9436.327021 9943.182528 11956.44098 13004.52005 8947.940695 8850.266761 9985.149171 249.3521694 245.8827226 247.6673169 118.9071775 121.3533805 122.0685647 TG(54:8)_M+NH3_feature1 42414.40331 19408.73431 29931.44815 25610.02423 15546.18148 15148.95638 105887.5035 61521.25735 69229.97637 121529.6218 44663.96008 110701.9542 112017.034 110233.4763 45396.08405 40901.41948 20880.71266 61719.43669 24409.4213 25563.92894 74444.55023 23779.98492 52275.95644 160765.9205 49732.76318 13785.14516 72148.39356 12442.86717 59657.12506 27873.88173 36238.73796 52071.76126 17347.00915 113554.6933 31278.25494 28791.11415 28729.80939 40154.39898 25694.8423 35367.68532 24559.18655 245830.7919 39494.18601 43738.16871 36525.66845 27601.56977 8651.806778 86437.57225 20647.74834 31656.17665 57472.71534 46863.05162 81861.44547 77629.05672 47481.07871 56312.05497 51024.08412 48814.16417 53363.67847 49942.62125 50381.45584 51897.2375 495.7855177 553.9892903 578.9301276 452.8040311 488.713187 571.1591303 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 5401260.885 3281335.947 7433850.79 5147393.786 2958243.965 1873248.488 14901238.08 14324627.31 7085488.931 19343070.76 4828669.725 9483809.919 10153355.02 10473132.39 4780361.577 4532115.648 2992219.587 6629124.468 2048198.626 3103315.705 12002882.79 2997631.33 9551934.517 30769756.14 5792966.573 1445870.285 7064028.009 1674887.249 5367319.99 3264984.863 5021144.878 9011020.139 2323301.174 37847864.38 3480287.902 4320113.542 5948321.354 3820492.01 4323530.961 6640307.723 2781037.68 23387662.42 4183383.172 4895514.058 3801718.336 2972235.653 1043432.678 10008510.65 2885038.503 3959620.231 8354619.768 8682874.328 16711165.22 18182976.44 6286984.461 6901874.178 6963191.981 6967703.102 6692891.158 6613650.047 6523374.35 6782103.836 2260.23114 3057.192961 2487.099789 2438.78897 2924.151129 2754.853237 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature1 36286.51922 15820.38087 35311.02015 25812.39999 10733.50363 12811.67881 54874.88277 118153.5197 26753.12824 113322.8573 15883.10569 30561.94374 39682.83224 32940.44077 23342.72587 31674.9555 19082.48081 55614.02089 4552.124346 17278.35989 78077.82304 10356.24221 55505.43403 246556.4671 23856.78022 5925.91074 27716.53409 4399.011814 31468.91276 12655.84341 16650.87667 57634.40337 7157.695258 253610.1055 10155.11262 15287.77295 25864.866 11859.6514 25238.09148 32689.77794 9199.846735 117290.3919 15076.77312 23449.6912 15728.68603 8109.749898 3158.413186 21850.71154 10038.13832 28680.00733 40898.95737 69019.75507 88442.59834 119073.4635 30826.62732 34784.01486 21309.149 24532.55103 43001.94003 29075.14528 27172.56472 30197.39296 209.4964583 223.3410789 220.4707253 306.4062254 338.0426646 350.2827912 TG(54:6)>TG(18:2/18:2/18:2)_M+NH3_feature3 14386.56842 4955.629086 8912.419681 5671.662389 5476.754543 3353.488811 37319.92371 45335.73062 20782.30641 29883.13746 15374.71464 23212.64671 34865.27072 42864.30064 12601.455 13259.66064 6408.166898 21275.52482 9129.521026 4909.102277 22276.11414 7426.145895 14278.14897 68576.74415 14523.98158 3667.743703 21221.17678 5786.636008 15147.07552 7189.920996 16343.87198 17398.00346 5907.5557 37634.90999 11137.13566 10430.54806 8818.078716 11389.2433 5654.987193 7885.922761 6538.394327 99337.91865 7600.149879 11161.84428 9276.588426 7007.136664 2165.343976 26110.24565 4049.192791 7979.710601 15373.25887 18631.42282 16433.68321 20425.54627 13549.50857 13021.94205 15177.27465 14933.43361 14875.13223 14526.60184 16148.82133 11578.60492 167.6909141 172.8202662 182.4667854 196.2292656 192.692815 207.6287482 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 2679441.043 1023694.655 2257374.935 1603301.948 1104305.168 732120.2877 6943471.546 11674093.29 4461861.973 6602845.741 2706381.581 3417487.418 5412830.539 6514043.811 2848627.552 2176020.607 1095104.025 2822937.586 1474869.309 1095058.075 4087943.11 1146518.051 2897959.563 10082810.6 2770253.452 663878.1056 3416052.012 754647.4691 2259834.96 1539008.527 2944388.869 4305086.09 1230075.426 8447920.16 2373062.856 1848444.573 2098727.585 2395850.54 1481070.717 2227865.874 1324508.61 14621208.96 2080268.94 2694739.795 2258021.8 1363082.738 531781.459 6904409.928 1236439.931 1822580.698 4560541.911 4795696.126 4145464.084 4709398.582 2774807.181 2987611.144 2988625.958 3071540.62 2794943.352 3032972.614 2827576.849 2920326.474 359.7884312 353.0107116 425.6667298 379.919539 392.1952024 424.1987693 TG(54:6)>TG(16:0_16:0_22:6)_M+NH3_feature6 1337090.666 1142534.781 1087278.812 720227.6089 865459.7207 1026948.196 3265729.819 3222443.728 1984621.417 2531352.132 1098994.285 1557204.823 2408589.805 2847770.684 1654322.472 1336197.846 873148.5834 1153686.868 630029.2244 444950.7988 2312680.82 1169667.003 2110204.883 3823955.592 2181746.306 932748.2308 916106.0577 521558.2383 1440446.469 859355.8193 1615438.142 1949554.809 948937.616 3235220.464 1462227.818 1639038.507 1342793.513 1984025.884 1285867.626 2112619.626 1141566.724 4349634.867 743936.8074 1208415.374 1337969.522 1255728.707 333400.934 2224642.864 769950.1328 449472.4621 1310103.328 1208105.732 1470705.951 1251959.578 958212.229 1717866.724 1612669.199 1543598.227 1608157.707 1423292.359 1376459.364 1357389.873 486.799178 1164.601082 1113.041636 440.5783195 758.4124102 717.6248367 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 3561960.009 1766513.816 3282113.524 2609599.154 1691790.17 1189944.739 11658792.79 14147067.57 6545227.585 9892645.574 3815801.909 4688288.045 7203924.824 8426452.209 4020545.874 3320042.687 1847584.244 3941413.354 1972981.893 1663970.625 5478224.547 1825282.11 3916910.722 9123325.913 4429242.972 1239738.206 4691935.943 1227482.176 3259673.638 2087401.776 4440211.49 5774187.903 1899062.114 11720396.78 3239491.26 2802163.582 3190122.938 3549377.622 2288290.705 3472643.864 2133080.279 18645716.39 3171227.518 3958832.844 3352945.261 2232118.376 800061.6676 9101453.175 1823723.318 2595904.818 4888724.668 5148933.251 4628058.721 5186234.359 4338842.511 4034848.307 4452086.432 4207607.142 4211850.594 4317421.111 4212456.429 4260044.722 550.129242 534.4390265 528.3777945 538.1641289 724.8696282 618.3374115 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature1 1255175.118 745706.8578 997314.0905 960522.8828 693019.9549 754162.0795 2686306.383 2738603.419 1579498.572 2442524.873 881385.0468 1557960.18 2050333.159 1769582.544 1551115.351 927664.7967 806138.5106 1044836.885 557122.7984 630232.7696 2062452.513 1205265.693 2422872.957 4232339.898 1711033.191 940859.4221 1227494.866 399625.527 1267423.371 777041.2083 1340763.371 1876785.195 878112.4245 3234525.231 1465276.9 1423146.113 1272473.369 1164592.479 1350246.112 1610726.548 1002061.591 3775546.941 1052985.232 1073962.378 1044329.023 1161239.615 315966.3434 1769962.744 706259.4411 708782.3593 1408866.906 1309334.553 1472470.469 1564727.48 1271673.513 1321234.188 1321776.649 1474869.994 1315367.263 1380766.461 1295618.118 1292048.283 570.8942307 596.332965 619.8245117 584.5572326 626.1863694 646.0037178 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 21435865.73 13874147.17 28196534.94 24116743.44 13554983.83 7101355.587 53906329.49 54566390.02 28837520.38 66356143.87 20220612.75 35273465.28 39497861.65 44408732.56 20807611.52 20846225.16 12598002.67 25972653.56 9538499.17 12982895.23 44421942.54 10891409.83 31624232.72 94275867.21 24197229.8 5481948.442 28520117.87 7447413.902 21046921.13 12476486.36 19600055.59 34229552.82 8955975.494 104247531.7 15300503.3 16599154.47 22496808.95 16775735.51 15704972.1 28515461.44 12015677.39 86464478.55 18377077.74 21345507.1 15659348.88 12391351.23 3910364.186 43488023.47 11995589.34 16999617.63 32361938.87 35389615.94 53588512.49 56645126.6 27377587.17 27337614.36 28739239.58 28573560.4 26607431.64 27214607.16 27126809.69 28479386.99 3106.93695 4406.462021 6188.776841 845.3264952 3617.604165 4649.067975 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature4 379720.4431 140098.2637 320652.3866 238409.8317 159549.3252 101548.7358 1121201.273 1692001.971 604107.7684 1140874.979 353319.9541 450832.4933 768598.7523 970595.3958 374073.7768 285125.7337 137516.0905 405253.2753 134306.6377 133520.0078 525419.2912 146043.119 382449.8247 1479332.293 434709.5801 85314.66473 448966.9551 90979.28326 278661.3114 172816.5985 442939.679 575602.5928 139097.0372 1283118.422 273879.6177 250320.2716 306678.058 315483.2328 200961.7574 328761.1673 172025.2508 2192775.071 293039.8404 369679.5034 291154.1489 217960.8519 64759.34927 984477.377 147477.214 224658.5466 483543.529 452143.9603 436839.1324 473347.8561 419162.7806 373544.4543 386227.8584 381427.8147 436040.3656 383534.3682 397061.3423 393416.9882 378.8184195 361.8414903 357.361825 340.860408 334.8410645 335.4772682 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature3 2916803.507 2134172.399 2308894.776 2665377.906 2111778.254 2125444.519 4846250.325 5255035.565 3671734.759 3522272.813 3101151.958 2606783.127 4368556.23 7905366.575 4498796.66 2935836.266 2051235.005 2418918.444 1705949.963 1923345.869 4296556.078 2465904.028 4064242.195 6062439.847 3636809.802 2295011.175 2490730.913 1470064.108 3187922.486 1950926.381 3482232.794 3866714.002 2842333.567 6751524.814 3440114.8 3774218.533 3045659.211 3033237.411 2798403.263 3408972.312 2762652.902 7373945.554 2970252.606 3356714.662 3070051.84 3055672.208 1076268.55 5147181.209 2114286.318 2508623.9 1865883.008 2323156.297 2055582.292 4024225.752 3567749.322 3899821.353 2966404.702 3375065.91 3403800.21 3119821.996 3794443.287 3599064.245 990.7538666 2266.652166 2302.70992 1112.561434 2194.663494 2215.833202 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature4 38398937.42 32362190.37 58418330.91 48009283.22 29677280.46 16391229.5 88501827.21 60435263.68 55112739.09 100264134.7 40912867.88 60572929.8 64733556.53 74984527.37 39292413.85 39597922.34 26453794.96 45225647.42 22933693.34 28002925.55 74592775.73 23588580.18 52822755.56 128309560.3 45504619.34 12967825.4 52193398.81 18090922.37 42348965.74 25857719.71 37028967.81 57882247.52 21337229.41 104224438.5 28734462.18 33248587.05 42752749.7 30273456.07 29794923.16 52622756.2 23836850.26 112782694.7 36839232.87 42044717.15 35143388.88 27953839.51 11183397.26 78128351.53 24799671.26 35707722.06 58845798.55 43616439.59 80426702.87 73937751.41 46197537.95 51889434.98 50125007.49 51730044.38 47761721.67 50718254.47 48732909.92 49143786.36 7568.602366 17799.44484 17975.99816 6484.557735 15571.8042 19621.27577 TG(54:4)_M+NH3_feature6 1071736.255 496577.017 1287337.749 573580.6518 558850.2733 607629.7241 1240432.305 3026639.513 1519754.6 1276953.506 1073472.666 669158.0609 1671064.859 1877675.248 1171173.258 644546.7887 734947.3979 1190601.052 564177.2467 419127.8717 1094009.755 667922.7435 1354993.072 1517871.313 1283914.056 493815.2487 1213852.11 310711.6326 624168.764 509693.2751 1222066.661 1508072.882 600097.8491 2208456.09 943034.1699 958786.1689 1008420.132 857313.7871 801434.8765 752728.6997 691871.1404 2003089.959 875689.5203 1408304.973 999896.9671 683292.2686 297654.8574 1279038.488 808449.8867 1044006.436 1276007.174 1522080.254 1183872.368 1498320.133 1003033.642 1038892.775 1089823.822 812479.9101 1219337.982 812407.8664 1275369.495 896860.8618 320.4874249 323.3366196 416.8983387 386.6566347 396.4686612 406.9133521 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_feature7 738615.8164 529991.9463 703857.0242 613809.5592 515177.2115 546459.0501 1211620.886 1496837.265 915743.4986 1151069.636 453994.0849 567684.5632 1046508.116 1057835.89 754919.9161 408914.9858 497432.0786 502821.3377 145051.0778 379862.0942 1144330.122 573186.3029 1105889.4 1544414.36 602129.3288 519025.1361 660781.1055 152936.3618 423831.8864 497666.2757 744573.2435 930163.6193 429490.4078 1416511.54 623630.9714 685567.6777 718536.8716 569025.5316 644540.8397 880610.1296 366534.393 1581801.366 355739.7153 635467.7889 576424.2645 504972.5195 184596.676 862509.0139 429703.7073 391443.8287 637131.5817 578909.6234 617517.2749 640789.8038 745008.6681 711761.0483 736138.0639 710512.8426 688042.4149 762829.6888 718979.1638 730259.9286 590.3937245 681.879965 606.331689 614.5485078 640.9580688 638.5416139 TG(54:3)>TG(18:0_18:1_18:2)_and_TG(18:1/18:1/18:1)_and_TG(16:0_18:2_20:1)_feature9 18466180.45 14448693.05 31789132.94 19548640.66 15131645.45 8669851.071 34847368.01 55920830.42 23687016.23 43219971.71 9964633.179 18064996.22 18853387.19 21034200.15 18467023.43 15855385.09 12660653.74 15525909.59 5622486.641 6624919.568 38719784.89 11417559.86 25957936.46 59819645.81 21702981.53 5315358.353 15436021.22 6231758.531 10752727.66 12414083.42 17433569.64 27183446.22 9536218.495 67345562.74 16244661.01 13262187.66 20834993.79 15106343.14 13995407.84 21171748.38 8978079.409 39275182.38 11543534.48 21177403.93 14799518.13 10028536.18 4297230.919 23685547.62 12690236.8 17593419.86 26430477.5 33766497.22 35649977.63 46078481.99 31569957.41 22620256.77 20827174.4 14795492.35 23359296.94 25885401.27 24511184.67 26671979.36 2428.779812 7315.825035 6405.239914 4298.010525 5574.671935 4606.341779 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature3 15792924.33 11260267.45 23907351.43 17387105.4 11627078.73 8482520.22 30246147.38 43422352.34 22810648.91 39060870.13 11804889.39 18252159.01 23826537.63 26868842.19 13746483.75 15297542.94 11221669.26 18482454.89 7419559.806 8529711.573 26170381.65 7489976.87 18690515.1 38023623.39 18480979.13 4148190.954 18066293.94 5019313.398 14598968.22 9819915.587 15537125.3 22920132.63 7596831.801 45505025.18 11773505.31 13144480.24 20483852.18 12239855.89 10466091.32 19539211.78 8818646.815 40344793.5 13509760.04 14516752.73 12705146.87 9024411.655 3982608.634 26748083.84 9970391.298 12839414.89 21727887.81 22521321.13 28119919.06 25917215.64 18209741.95 18593789.15 16571268.33 18283793.21 17920344.88 18738987.78 18307343.44 17531262.3 5558.42348 8673.016287 9300.339246 3313.654884 9408.884524 9129.032067 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature1 456529.9397 375880.638 521099.1036 462259.8726 423536.4976 311784.8899 556776.6744 625764.2484 545272.3466 630519.7326 388819.5542 545161.8254 510168.525 536055.8733 395673.5619 370446.0473 362851.1101 512980.475 412295.3647 345391.0291 538949.8258 374854.4359 430043.9888 558951.6819 388459.988 260598.2108 447158.2169 338707.4089 454766.9472 307386.9413 403321.487 516036.0791 394322.711 497710.1601 449478.3094 477223.6804 484272.0136 368476.4275 356074.8898 492357.0838 346258.2991 461230.7813 395208.8016 463018.1572 439713.3387 406947.2598 235182.4255 508443.5425 358280.5373 446816.8309 609115.5474 575492.264 654536.938 683307.0453 490079.675 513898.6141 518248.872 459221.0904 435989.06 473856.9824 493050.9831 542768.6573 353.8481208 952.8028953 329.8014093 612.8122553 516.4018911 504.4929029 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature2 4002111.041 2881632.937 5449858.104 4015688.584 2293150.965 2059039.623 7067229.278 6484791.135 4234183.334 6748395.972 4284436.084 6009588.852 5695954.175 7213683.184 3974955.298 4432030.92 3678350.09 5135561.006 3011052.014 2920312.696 5820744.117 2383315.661 4244197.606 10890533.85 3979574.007 1738405.786 4418285.199 2252094.078 3953178.546 2791763.096 2817272.72 4355131.047 2614564.805 7682931.501 3237721.6 3533841.165 4003108.806 3329548.672 3360886.056 4890052.442 2920198.277 7487443.894 3635607.452 4392459.572 4324842.24 3459195.344 1659178.551 7515859.03 3819094.689 4225749.332 3551217.743 4665239.926 5748695.51 7208933.965 5314717.805 4988546.476 4596988.38 4627171.283 3935548.007 4573446.463 4724168.732 6109511.009 928.7797745 2331.637255 249.2717517 465.4489913 1300.829219 1603.755216 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH10_feature3 1904200.817 1087132.12 3891077.855 1606893.678 1690334.377 1028027.311 2454365.538 4373024.742 2508152.53 2562244.6 1030802.366 1406554.307 2344673.378 2559081.159 1606527.068 1433822.378 1543178.514 2589426.969 539673.7979 549735.1922 3739240.641 995368.5978 2210661.626 3015358.133 2343302.655 378627.4201 1951348.547 515039.4876 1005562.073 1081080.814 1632435.125 133224.7441 949965.8304 3381670.494 1347585.83 1173486.796 2170646.474 1021280.764 1087306.122 2343905.39 797607.8648 2559087.342 1194282.948 1615855.456 1292825.475 675779.2961 357194.1464 3695980.244 1084220.775 1444720.17 2138522.926 2004224.427 3023796.538 3130929.872 1629860.357 1759144.707 1739931.684 1864813.77 2146580.771 1255471.342 1505862.69 1979977.807 1857.783593 2737.818992 2197.082431 2873.682414 4229.532248 3078.712318 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature2 20021.71573 11860.78835 20149.2586 11502.69542 8006.673228 6971.607242 72111.4533 106465.0312 44980.14056 46363.16364 27345.70662 24290.1763 57730.49399 65350.21694 22039.42894 13314.94032 11967.33587 25843.86338 9985.011327 11037.32508 44761.76923 13280.32681 37635.78716 116089.4647 17840.25802 5560.045902 19856.55599 7360.895011 18525.71284 12465.98287 18778.41648 42933.63155 12437.24149 104051.4774 19202.65676 23857.34373 22235.38131 21043.01601 11063.76057 25641.84473 10639.31712 150381.9991 18002.23521 22549.41842 19824.53736 13888.06439 4011.511701 54918.57837 10173.27919 9027.479884 57630.74867 52801.2675 63982.4051 57872.57057 24140.74758 18864.49826 19119.17382 29254.28788 23984.7999 19257.32557 19709.16863 24032.26383 463.2483913 489.0748927 487.3392761 406.5174735 429.2485486 455.851474 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature2 74732.63246 23944.88175 74361.00077 51711.42382 46746.14271 36357.8984 131343.2072 250735.6772 128620.2728 136393.6316 73969.82817 115650.751 141695.1103 129094.0025 77305.90391 64823.16963 44575.21884 108324.4856 41774.16997 48767.84078 120185.1762 25735.95458 92238.79941 260603.1296 130596.2644 25013.89161 106338.5492 29591.71325 55626.457 26935.1844 51464.04101 132942.8047 38201.62389 183824.8445 80320.37381 52550.719 63103.97532 64888.49304 31530.61092 56568.33933 23712.92522 267065.8163 42040.70289 88359.32137 68263.87376 36192.78815 16864.56061 105092.8227 34399.42174 55360.41327 106051.1908 146975.4319 109338.841 200990.1809 47110.35513 71559.1554 81541.09 86177.13857 88983.05055 67110.04295 61368.75876 57119.51735 959.9576218 2137.451278 2441.06461 1318.956829 2448.321675 2452.507155 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature1 104602.5816 50107.18092 120193.7641 94054.54778 47499.48892 19177.45638 326286.0841 430026.3712 147393.7865 426390.3353 102188.2353 203675.9996 234783.2268 280324.9644 98064.59474 100082.0296 29613.96071 133575.0341 40870.17008 55997.91186 232194.9147 27096.91636 154201.9749 819783.5847 110207.2286 19521.60313 170989.5231 34207.36207 101799.9098 63500.23255 113287.8735 186957.1544 37767.2477 794151.3907 67103.66451 71998.74629 94125.5788 80695.07449 70521.05786 124197.4921 47799.59277 914845.1418 86182.24703 105091.8447 78752.47635 61357.52063 21949.26267 329141.1389 43644.10173 76245.99599 157507.9561 179691.5534 236123.3141 292165.8766 130779.7144 138795.4704 132597.2257 132970.228 141092.5533 131114.8473 128724.4893 137689.2715 454.6942947 466.1309959 546.7503936 506.92361 530.4861103 558.1729326 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature2 541556.6028 312505.6533 883343.6623 496305.5301 200310.9997 170218.6577 2505843.613 1661493.429 994098.329 1463311.25 635900.7444 1387441.407 1399844.767 1547689.033 626809.8101 614407.3272 271356.9399 692053.5809 196294.0469 338391.8891 1353183.267 309449.9873 879928.7492 3460151.492 644899.9181 161098.2589 890851.5786 189416.1842 576944.665 261728.3746 711199.3718 1172261.504 253683.9796 4864330.643 411706.007 365517.8519 673019.3862 436016.7103 343493.3762 748906.0436 203897.2065 4088298.533 536201.4775 640202.4115 467477.7935 350363.782 93264.81483 1778283.811 269068.7013 397877.0039 1228466.839 1014784.351 1816146.896 1501583.569 650188.0971 817054.8162 816046.1158 874925.0092 851305.9445 781753.2865 733502.0009 765868.9513 964.6393192 22130.74811 23271.28163 895.314913 18392.08994 15844.68952 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 120644.7967 61753.97532 161536.1254 92018.26267 72191.17149 43644.70699 322883.8056 388322.1103 175960.2083 350700.2195 115845.9895 229450.858 279426.0805 294255.3895 113604.9055 117120.3489 62278.68052 166327.1145 42249.63998 56890.94217 233621.3875 49750.66381 127293.8937 482751.6656 116216.6936 26329.50721 149062.9996 38187.77982 109956.043 68871.27561 118657.1904 213084.5402 58425.64917 393556.5426 98099.43076 99567.94764 120545.0788 103005.2029 65857.24223 135136.3232 57066.68298 445441.0376 103069.0692 153124.2338 88207.26183 60910.44171 28090.53686 281882.6102 63425.82264 102122.0592 216860.9925 239000.0041 285408.4224 377676.3006 183000.6434 184092.401 181653.8708 139812.7169 150140.7912 174419.6565 173258.6257 209447.2568 260.9429822 267.9644881 287.0154821 522.7297469 561.8646703 568.4141203 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 279613.0662 177651.0688 538231.9991 300246.5073 144407.899 55618.24066 970423.5101 1224964.664 511535.4467 1125894.814 318370.9245 609113.0497 946312.6878 778094.6651 266689.9627 293904.9099 131293.8438 372223.3326 142833.3069 129184.5449 626044.6558 67171.39769 388123.6216 1504385.291 285224.1018 38404.95705 448111.2487 59289.56566 237224.3602 116170.3169 283499.3012 414160.7557 97076.27103 1623332.492 182457.8 179358.4745 285038.0633 152691.5533 179803.0458 339738.8194 82238.73165 2379759.71 289486.4828 319547.2068 142095.8691 171874.983 32115.19367 1153717.782 68136.47399 224893.8925 377213.7503 522403.2561 737484.9518 605567.0711 471635.0612 422927.5897 399626.3626 409609.7072 410449.359 389142.8897 478512.1925 433069.3438 306.1225716 323.8416919 321.1848273 321.8484953 334.6375922 329.706535 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature5 749534.7182 455964.9436 1226179.79 736657.81 447097.6906 242441.7178 2607103.847 3138312.034 1116499.378 3268545.362 752073.9146 1152848.702 1419016.029 1762516.887 770020.893 761562.1021 370670.8597 863452.3114 254639.225 346399.4298 1784121.967 350133.3459 1182166.067 4351892.094 965661.7505 161965.9085 1072648.173 210991.9512 727781.7587 388100.096 924191.2275 1517052.083 302952.8131 4888078.053 516481.3596 585296.8062 906692.1868 568797.3813 510035.8984 1015646.828 337588.4611 4755026.331 600248.0964 812972.0662 641173.7141 337507.7343 123614.4663 1767022.386 355956.1405 487084.2064 1151082.376 1030651.768 1609113.755 1681069.416 981595.8073 1001333.444 1026087.705 1021311.368 1016694.577 1011806.148 952049.0841 1026126.107 468.6497318 470.6583804 471.6634178 420.8459723 429.3852711 617.0528098 TG(53:2)_M+NH3_feature4 1195664.309 750330.2564 2415471.279 1239612.569 831057.5689 488550.0589 3451368.752 4540128.825 1847712.362 3830336.106 1092138.014 1799874.622 2400655.98 2319478.492 1262615.479 1280967.777 783624.7577 1403926.262 408613.1566 583251.0756 2422469.88 680170.5253 1850650.643 4221059.473 1530243.379 271536.2675 1702964.38 351211.8204 1117735.094 682940.8059 1269095.093 2333113.741 478854.3142 5212023.232 907635.6711 884424.1722 1272855.604 842958.9191 844558.9715 1767789.145 486037.4273 5620371.594 918040.5259 1272163.568 1095675.542 572752.6025 171483.3901 2484732.091 609564.8876 850002.3337 1593689.946 1632154.691 2384529.841 2511864.826 1425370.919 1584043.641 1694846.864 1608993.648 1411677.436 1573818.229 1524053.655 1562048.48 450.769908 471.1707108 463.8476048 412.7491129 464.8444207 555.3195037 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature4 446828.6284 192883.7851 785497.6059 395377.9808 328139.8595 242116.4528 890008.2294 1932456.037 649341.4456 1428160.586 279801.1147 433838.4373 638781.9136 716972.1657 348785.3851 376615.9703 267448.3058 439818.8785 114956.7832 62002.9395 794570.6736 229327.2505 568284.7751 1438750.468 597413.9063 77892.13366 485189.0692 119689.131 308523.5775 244565.6286 463208.3648 760238.2924 207948.4481 1660600.35 302552.5455 319500.3619 606900.6061 285888.8424 305262.3882 582693.6738 204172.0261 1206730.854 298396.4632 336533.7662 338333.8926 179874.8974 73612.99423 751216.5887 227354.7775 271548.5408 584349.4944 604380.4322 710773.3592 806174.2015 438294.9342 505840.2985 505777.1428 486547.8058 473157.8135 490452.6591 488622.8392 462443.3891 350.6259467 362.3672473 510.9382981 376.1268976 399.281916 391.7936179 TG(52:7)_M+NH3_feature2 30814.69017 17974.1541 30505.93123 2008.949641 19031.54482 17416.8774 66415.64388 121441.9519 51848.11246 39212.98035 30992.40676 51068.68638 77197.97532 67531.06603 37624.544 31300.47333 21798.24212 29583.10542 16201.98036 17398.05521 49578.53071 14630.22502 43215.04161 111905.8784 40488.72103 8962.701763 51795.29326 8565.103287 33508.39533 36683.29567 25456.20496 39161.84306 16641.35205 87992.34366 35719.972 14235.84306 29333.96252 36078.39989 17860.36172 17313.90645 18574.26679 187481.2603 24830.9457 35019.77039 37068.31457 19141.42007 6383.03973 42056.07783 14724.31115 20071.16546 38792.11711 49568.20333 41359.59003 51994.5097 34756.5976 40088.53936 36158.28136 30955.92608 30929.01962 36528.33604 37897.97127 36743.10702 573.4943733 629.8659986 660.8983968 689.9431846 747.9957654 878.1099971 TG(52:6)>TG(16:1_18:2_18:3)_and_TG(52:6)>TG(16:2_18:2_18:2)_M+NH3_feature4 85303.59033 58604.90723 80890.48872 59820.68701 65568.85342 50681.13072 326170.8266 587277.7965 229549.6806 276962.7609 192912.5536 227405.6768 438063.4027 400262.0821 159781.8902 106592.2898 97635.58028 159689.2465 107485.0231 47578.78679 202032.1538 68673.62487 141689.804 600002.3111 102006.5333 46000.76287 225486.3454 54339.84257 89427.88212 128183.4776 165145.3607 208944.8287 68001.26202 408422.6866 88121.09119 89518.59722 68197.63661 126627.7434 88023.16037 93873.12045 89712.91926 1183454.992 139313.1372 186283.9588 148185.2957 85321.26734 43619.17113 465543.5679 49677.13159 84413.64957 225752.9727 336691.347 208584.2906 304536.699 149396.9157 94399.41267 156321.5732 173251.7758 183339.9355 112170.0329 123728.8142 138689.8366 361.1063678 376.3927653 384.1792941 516.6454316 561.8779788 570.9876053 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature3 1229005.549 643057.1471 1347746.707 1130948.45 652165.7522 274226.0991 4955904.456 3745030.121 2544784.829 6039516.834 2069080.904 4873375.584 4684174.732 4658507.3 1520452.913 1643055.496 751387.8138 2615569.403 879861.3041 816962.7874 3668611.521 392564.1003 1509500.847 14034354.38 1163481.731 329962.6057 3022815.067 571135.0463 1818980.25 1063768.432 1657832.33 1702553.45 363785.6659 10044531.41 766367.9745 787372.8415 1257929.857 1424849.376 864231.5677 1485234.472 858071.2374 14850720.09 1526697.973 1739735.452 1282855.54 874821.9525 287843.5667 5883043.153 726006.7703 1123708.075 1401950.996 1981814.308 2530712.794 2706787.687 2213912.382 2371760.198 2218478.938 1996496.385 2057336.545 2129044.468 2262917.125 2351562.475 393.7083007 417.5835074 417.6607945 491.3915361 511.0560078 547.9902212 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature4 1246219.834 509181.5743 1453950.213 812612.8106 494639.0688 317176.3347 2770967.671 4698475.966 1501008.673 3998044.053 1154106.169 2119377.27 2430538.83 2547640.914 988827.874 1142154.638 529013.4076 1328892.589 661082.2928 505849.9391 2564632.544 661661.0183 2004486.867 5655482.371 1641761.267 235045.0656 1128225.424 275462.0194 1575181.566 605213.816 1136455.983 1978743.739 561913.8477 7671811.018 967770.5897 922665.6106 1113540.385 851079.2801 702942.2112 775625.5236 546274.6407 6777890.335 675620.0112 843423.6574 728410.1354 508046.7045 93618.33747 1945855.312 365064.4924 685605.9702 2503464.742 2363949.768 4291158.241 3710726.876 1137199.45 1276451.586 1418760.515 1338734.121 1682996.427 1490271.905 1407187.921 1060422.503 397.7560817 413.2591117 427.2524856 299.5607489 315.7181187 361.4064133 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 1164045.703 459203.3936 1120309.688 590766.5486 508313.7716 353421.8081 2599562.193 5145245.409 1999294.891 2665271.146 1241720.793 1469351.371 2447771.162 2638481.071 1345602.999 1163803.517 531435.3845 1497825.359 727204.1422 483357.9015 1568765.393 478765.8568 1153813.125 3443280.397 1238452.278 306525.0058 1465801.287 375558.7504 912813.3333 793805.6347 1517394.55 1841909.613 582408.6406 2676423.783 1019113.336 788233.7274 869999.4344 1051144.485 614034.6703 899436.9206 640363.8337 10757462.22 918277.6066 1308230.576 1100872.481 604804.7038 260999.2814 2702910.889 348400.8277 885819.2065 1732217.284 2048294.833 1382417.088 1837517.805 1300452.492 1300330.813 1233748.892 1220703.795 1372721.194 886264.3699 1388485.555 1390524.047 345.0865076 348.5042729 358.551278 430.2162173 424.597154 462.9672424 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature3 43172.02848 14091.02703 36872.15841 17556.95271 15822.44929 12965.06179 102259.9399 221468.8106 78814.61519 98884.72725 43426.08121 40394.56712 59782.88847 48126.55977 48099.90611 33581.37569 19894.48532 47105.13659 28626.88446 10251.15007 42896.72103 16945.97654 36487.67445 115035.4637 46212.32496 13271.13787 43689.98254 8908.396986 38744.16124 22606.27402 38492.82266 86681.16804 21247.71373 101361.3592 36342.64124 22397.03697 32596.82953 38809.02807 21583.1296 33080.2202 18398.84627 207906.0933 24717.88435 42385.29906 34606.60372 22342.59798 8844.09224 61956.45303 17872.90887 28225.08939 67637.94768 86339.96126 45309.62788 59803.24837 38080.4449 39524.52668 40088.35621 40573.01126 45346.02806 40645.73971 37172.49785 39104.93058 385.4780481 390.2863626 386.2385853 444.9613094 451.9609556 454.4830206 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature4 59699110.91 41990244.78 79361605.79 60440786.17 42657824.2 23757084.84 126401497.2 136263254 86894168.05 138997123.1 61734879.17 11169739.29 102249548.8 103394334.5 58013629.76 63943794.56 37067940.52 74180504.94 38983306.13 38457775.76 108578739.4 34591181.27 73517603.17 163095654 69717732.48 18284751.75 75833518.29 29366997.16 59984112.1 39347836.64 64382239.94 88784406.05 33285403.24 176225308.1 51017588.22 48562716.64 61605392.83 52840428.22 41741250.35 73094813.97 37256347.4 169509809.6 54999817.62 64542023.59 54736942.29 40719169.28 16003678.34 108140235.9 35195256.2 54258239.98 77510244.62 75632187.46 94561772.57 97484674.3 70413746.11 77185850.5 77540197.62 77942414.74 70493470.52 71488947.02 75448269.29 75705419.36 3703.937177 9792.38872 9000.38806 4492.637701 10517.29455 10642.21891 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature5 41796001.07 26742679.23 45405506.5 34182677.92 40799209.58 14099447.42 89852184.36 98019367.93 53812208.98 76126093.64 57294008.61 60711767.65 90912983.65 67287546.99 54987155.53 41362647.74 31091715.4 55243214.23 33464249.09 31814948.98 74093258.71 20912289.4 50438450.54 151212082.5 38576691.85 16946867.32 47077636.26 18844171.33 39041140.58 28805485.23 38859621.03 55520561.31 24062203.22 112060069.5 31571049.43 27259085.9 41369725.88 45963457.47 27007682.4 48484276.71 32089198.7 172513002.5 53019664.82 41016674.89 34953428.33 35707729.02 14170117.18 99416165.02 34595061.65 49993844.96 42862547.12 48297617.41 57197231.44 56257354.34 50736667.41 63031433.2 42091284.17 63571636.38 53180351.2 48641925.91 43388305.83 63706416.2 9940.820461 15393.3082 23504.65839 11833.18776 18387.80547 18683.70817 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_M+NH3_feature3 14624837.11 10616719.51 20146261.55 14125018.6 10894829.93 8845740.406 27197401.06 44295761.36 21321973.23 35351622.82 12556675.37 15971550.68 22961298.11 24731678.74 14300047.4 14991975.13 10800563.4 17778583.14 7984155.595 7287873.85 24724355.9 9567885.036 17940845.48 33059148.12 16867339.56 5034399.325 15878442.58 6099951.45 12493443.07 9693823.7 16334910.17 22757296.9 10224847.07 33694446.41 12184404.22 12137776.95 17165326.85 12827670.83 10105610.07 16792121.23 9256166.899 39081715.35 12585598.66 13246209.95 13289053.48 8048291.261 4126175.119 23160045.36 9479621.8 12503812.28 19167824.65 19694633.85 21750904.97 21608794.06 16535925.52 16980075.39 17530459.21 17370877.04 17235040.44 17289068.64 17957622.6 16050254.07 6387.818271 9440.451758 10812.61141 4671.541841 13953.2038 10414.34507 TG(52:1)_M+NH3_feature2 1724458.406 1420040.004 3043802.199 2578478.192 4552656.965 828914.0964 4540880.132 5048063.851 3472717.618 5781040.252 226646.1693 2435940.792 10680028.32 5165496.811 108690.796 1409818.482 955297.5132 1640744.191 51413.91446 182081.0709 2442641.462 95099.33731 2104531.002 18338522.58 2984251.812 365141.6188 2727202.329 602400.1134 1122341.909 855189.2915 6834930.742 2264509.799 958154.4993 4544219.956 1295491.477 1622940.056 2132973.557 5501850.282 1539907.508 2593629.972 554420.9162 20811045.6 6033752.543 2457008.564 2131727.658 4197765.878 328501.1847 13452612.87 3927166.441 5824007.443 3480819.325 2043186.219 3277244.838 3392596.886 2119555.474 1877014.707 2335882.793 1710804.775 1692119.899 2505140.206 1537240.731 2282941.34 237.0048946 414.8695315 249.4591489 293.5764499 670.7556141 387.371596 TG(52:1)_M+NH3_feature1 37023171.26 30783804.42 56728874.84 46227025.94 28401779.04 15271077.21 86726735.09 59265725.12 53715077.7 98301362.25 39696327.45 59032723.38 63702222.49 73460478.22 37863855.37 38309704.55 25111598.79 44034930.21 22069711.95 26584170.6 72763286.14 22377050.14 51215602.45 126252617.4 44150228.13 11975268.46 50755292.49 16940983.35 40898732.35 24702560.86 35859605.93 56392265.69 20266250.99 101887851 27588603.53 31930609.33 41354246 29237011.39 28482296.5 50826909.05 22620086.98 111563830.4 35610679.56 40756289.36 33927108.24 26626959.04 10196255.53 76957635.52 23521490.59 34417252.7 57059277.27 42124786.89 78178843.46 72006919.63 44812197.15 50817685.15 48627232.22 50286173.71 46135745.09 49361011.65 47396744.6 47904680.7 2901.02271 10880.94477 9643.59554 2430.697847 9497.099653 8875.497583 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 789336.2572 483144.5445 1099956.335 615198.5012 610416.3945 697838.5551 1383789.626 2440232.094 1442367.166 2171318.298 477903.3874 734925.8326 869369.3368 1020968.386 688377.1799 637590.4661 606869.3743 803595.0844 410629.1431 280192.838 1126918.834 588780.7678 861027.4027 1827703.077 1220540.879 233965.9659 756848.6131 279074.0942 523325.4191 468155.6932 828273.5905 1336160.351 609973.4635 2210021.934 655256.9355 698777.5785 1024222.018 543385.0623 513622.5257 1066422.043 447318.473 1311330.782 555689.0898 622019.3377 640429.2567 357585.6468 191654.0728 1158184.151 434023.5782 518300.819 1049031.025 1251794.524 1306609.981 1346300.013 849201.3272 863815.9984 927756.2207 814136.5244 845431.1104 831012.0129 879902.0808 875236.7234 7987.754711 17267.82054 17023.47117 9187.358161 18414.02127 17310.40133 TG(52:0)_M+NH3_feature1 249192.7987 164271.124 205155.3198 198050.2781 214868.1008 143996.8046 337149.5983 379315.6285 285472.9048 274279.3149 242770.4894 289947.4603 311326.6476 354456.2776 258976.8107 239007.7028 198838.4493 277303.9638 263117.5779 166943.127 264464.1276 171499.3728 212958.0333 345508.3331 270537.0323 139692.1922 250324.591 185676.2036 226572.0002 195345.418 253066.0355 247284.7696 218258.6962 286868.742 249772.3737 219435.0076 234068.1443 243999.0974 190742.7695 233881.0523 203185.4604 369447.6602 240180.4216 256024.4822 271508.7047 210056.9731 142270.2366 309858.1975 186046.4313 256465.3245 250897.2045 267727.8907 261835.7852 294974.7841 300728.5023 300243.2357 264740.7803 243629.9382 245364.1527 269685.2883 292773.3274 326360.7076 229.3512835 232.1935944 249.9691479 1223.267738 438.3734919 449.1596836 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 171382.271 95856.36791 211627.7042 147581.2373 94185.38519 57502.10037 601559.0267 757428.0334 276443.8832 784202.7534 202774.5754 356516.6103 512064.6963 481701.7283 160146.227 182908.7137 80289.47522 229213.0633 77753.11056 89908.25752 449730.6758 80784.39896 293799.9031 1187064.61 200081.6074 46745.3675 281674.6527 57525.52378 180598.2269 103282.6293 188929.3762 350592.2317 73139.09636 1484388.667 142775.7999 150284.5929 163312.6479 140210.8145 119927.0663 202159.2927 83006.48412 1732670.16 145778.3084 187532.1891 137482.2535 83251.34258 26597.03641 588814.3716 74692.7146 125845.496 338865.4671 397284.9981 577576.1191 619729.2002 221266.394 250191.7082 240668.0115 265548.6714 244405.2812 244725.8899 231217.6617 236873.93 774.8237977 1300.907584 812.2731556 550.1997369 594.4421231 749.9103367 TG(51:3)>TG(15:0_18:1_18:2)_and_TG(16:0_17:1_18:2)_and_TG(16:1_17:1_18:1)_M+NH3_feature3 834002.5737 367075.1791 1044311.537 637403.7658 367826.5036 192491.0354 2697455.124 3270820.129 1401741.942 3439128.796 886880.717 1671762.882 2028491.204 2051588.44 793516.4192 810243.5698 357915.4005 968583.6337 325804.3829 367339.2228 1763759.201 336824.6334 1096965.843 4748660.82 1060645.826 184208.0311 1167400.775 272854.7365 827598.6085 443586.4316 992657.1162 1563861.469 299611.9685 5530852.58 625213.2709 617894.9576 808056.231 686491.4454 488818.5426 902337.3335 358686.948 6304533.651 661496.8838 948261.8454 649625.908 401979.6009 133185.6102 2661793.985 321456.8459 579119.209 1257499.621 1265419.804 1757757.594 1873194.238 1093122.305 1052763.456 1113936.64 1058291.002 1092307.605 1026116.858 1137064.292 1064736.722 399.8947777 415.1512217 448.5167867 391.6699201 419.7298002 533.5870983 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 854104.757 429617.649 1130457.403 759650.4325 416822.8475 219534.4261 3050553.884 3469012.528 1387909.549 3350438.85 1036746.009 1575031.226 2729827.632 3083087.584 924093.6644 862678.5834 395475.0363 1273537.022 349645.6918 390895.9083 1874061.601 343791.3163 1165489.575 4584233.395 1064896.535 191633.5899 1169440.605 297178.1312 883670.5127 440955.4554 1143747.806 1556018.646 367651.4428 4122447.334 606651.3636 621002.2679 926209.4206 1089629.728 509525.5826 959003.5591 414046.7206 5642513.212 888087.7721 972421.1553 749687.9627 595301.3303 148778.0424 3360180.293 387911.8442 550081.1641 1205341.532 1031971.262 1634727.535 1479057.078 1082804.157 1195628.317 1290174.251 1439401.212 1178036.258 1138080.767 1194960.705 1207556.958 481.6116278 522.064108 610.5176181 417.2144257 425.2146215 422.84644 TG(51:1)_M+NH3_feature1 70540.87254 33754.20206 73751.42142 52670.74452 45926.74931 25045.47767 164948.9183 225042.8116 121203.4708 153870.6388 75561.47688 122017.0848 151573.5599 167858.457 73471.01284 75768.20655 41057.94888 105469.6276 56462.8065 32777.83807 117187.6017 32672.14877 65464.54731 113639.0938 74570.65241 22710.93928 81883.50435 32183.75731 71107.72363 44653.53061 82839.10399 115113.657 45748.4426 209101.7947 64922.33759 62267.08546 71442.24825 69989.72198 40795.00391 72168.30141 41512.24994 239467.7851 61724.80195 85632.60715 70675.74957 41022.15386 19753.09972 153491.1548 39274.21636 58292.69925 110217.3586 114097.2139 125076.9946 141713.9381 115060.6767 101306.6198 99318.46569 93163.90719 80054.18368 88002.43143 110716.6557 126836.1527 222.9553481 220.2628532 230.3287618 419.5087906 436.3964392 453.0314559 TG(51:1)_M+NH3_feature2 1142216.317 539100.7609 755340.7845 905702.4685 566337.137 372767.7295 2684125.926 3730933.292 1466370.471 2680548.012 807823.5889 1261904.304 1914650.077 1906895.019 855695.4571 872893.796 595384.3709 1115409.507 319725.8317 383968.9142 1175806.235 470693.4119 1352395.872 3237780.818 1326473.107 226439.9749 1283938.742 285080.1788 828189.0827 618301.2412 1269226.093 1628147.901 428365.6316 4119628.624 673390.2294 631403.4298 924817.7463 842052.0565 645670.4267 1011406.328 411882.1916 4106999.246 845290.3656 895469.22 922592.3627 397706.1585 163739.9764 1962870.112 469605.1203 624991.638 1078126.807 1030412.942 1310292.972 1726767.082 1114040.575 1035501.518 1087283.865 1018617.868 656300.213 1112037.194 1138853.893 1079208.975 328.1461235 350.8910697 341.4193726 358.9903401 387.0660457 354.5780479 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 137202.6309 81312.68037 179126.7576 98988.0197 101241.8201 88859.06559 253670.6011 472017.7824 256156.5847 369955.5562 79334.44017 119152.7456 178431.5308 211753.045 125749.3626 91947.72938 85923.09124 135509.6872 59532.75909 52113.44316 222977.0415 97821.06471 183452.0352 384240.0757 207700.6963 34559.39772 140835.4512 53965.45128 91383.39371 79131.89205 162488.6902 229403.1225 87018.2022 433156.5129 98922.09116 107964.7143 187552.0923 85315.07301 80990.9203 141032.6323 77435.01394 278362.9704 95342.17693 101714.2052 110585.1485 55004.86465 25246.62466 204493.4137 62642.54566 66718.84794 196416.5612 193075.2952 222863.7748 213641.7988 147660.1203 149995.692 152385.8587 145659.8135 147661.2942 147830.3343 138945.7643 157004.074 373.7596341 442.1895342 645.6255878 391.510377 376.7658478 839.4558759 TG(50:5)_M+NH3_feature2 104609.2461 24163.66325 103611.7343 77818.11647 63330.81769 45690.15994 324769.3387 409142.1533 203877.0957 327970.9014 123966.0656 212656.2349 383362.1432 337102.5993 144131.6097 139919.5858 47754.23791 184015.643 85634.959 66018.67968 223142.9011 56686.70462 139589.7235 475014.4265 116145.2771 43805.07941 214781.9265 39633.25428 149945.6831 41174.61861 139220.8488 189156.0861 40557.70718 483684.9371 46692.88318 89214.36672 96125.77149 87799.60535 59754.20147 98206.33514 60377.48699 1110000.776 120103.3215 148665.9473 102027.1456 70367.62977 38210.14777 327910.2239 66091.99491 57975.40173 194969.7 224564.6626 184967.6473 205945.4792 145577.3328 147320.3712 122035.698 139910.128 106210.2263 155082.3714 141786.928 140283.1957 2559.007963 29248.47968 905.9395139 1729.913453 11945.87964 8502.320052 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature2 1215864.617 580454.1049 1381689.551 973459.3609 568391.2869 315921.329 4203958.014 5220415.168 2265162.835 5000853.621 1993750.728 4070399.893 5015192.614 4598357.016 1439866.106 1597552.73 730027.5876 2376694.314 1039031.987 716727.5853 2924217.888 581539.9932 1867139.668 9417316.918 1653728.221 331006.8166 2474723.93 586262.2836 1788510.234 1005487.744 1684886.356 2113918.457 540761.1565 8491220.46 945081.8593 973377.4891 1218223.298 1420900.083 872116.3311 1341967.587 850315.6492 15223156.32 1503413.576 1620355.817 1298663.092 906662.8655 285964.5503 5134624.832 659224.6037 1050806.16 2106923.498 2078494.125 2933776.224 3032380.284 1943190.61 1981151.614 2032556.867 1983282.466 2004376.128 1924994.035 1957294.615 2006176.554 488.8348708 517.0319924 515.6797522 491.963758 509.9144387 544.9027542 TG(50:3)_M+NH3_feature3 10520595.33 4743368.071 9794552.071 7949949.719 5421219.82 2688207.303 25913445.87 33841811.04 17575207.06 31175702.12 15551158.59 24074427.99 32229614.85 30611694.7 13121114.68 13586300.13 6152053.24 18896078.68 8951256.291 6445619.73 21002367.03 4543981.259 11820922.57 48937160.59 12289046.21 3012569.519 17599576.27 5474149.649 12542451.24 8048420.172 13542434.54 15307713.72 4890320.949 38936922.83 9408652.821 7341255.693 9137999.523 11899163.17 6470712.21 9843509.395 7506593.431 71269108.46 12555368.43 12968069.04 11096316.35 7532184.717 3004465.857 34194395.46 6185952.699 9166660.308 12455556.2 14237067.36 15189644.91 17275726.89 15797145.9 14468459.52 15549009.54 15943716.51 15329198.23 14394854.74 15369766.22 15686229.8 3444.385892 8610.99768 7373.502236 3172.298887 5790.268375 6003.024849 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature2 5507959.041 206179.5392 2369065.033 3945009.97 3028600.775 1638047.638 14938424.91 12248087.6 9589973.547 16376683.52 7813417.711 13490835.66 15608058 17070397.06 5713974.063 6022809.825 2704254.75 11061099.22 5808801.691 2940199.151 7126131.852 249479.6803 7531051.119 18186663.77 5515531.542 1607644.709 9126057.996 3491389.678 7169179.397 3554954.576 8262120.084 7685151.28 302882.9045 16843849.62 3851707.987 4103122.838 4785077.358 7138232.147 3685451.227 4827550.157 3558245.799 36782141.98 6592564.065 8067311.123 6169310.709 4919599.06 1387098.504 20240516.33 2859062.052 7113458.572 7819621.741 5665071.255 6438673.927 5277080.989 8691879.222 7898121.137 8009431.145 9571142.866 6745856.467 8363743.638 8121079.769 8661446.033 818.8007038 835.5909799 1064.931408 580.2295934 717.1578388 1079.587974 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature3 28615196.86 19194287.52 34436956.73 23807588.1 18635669.12 10571022.17 57153650.21 80816548.74 43895875.95 64280328.18 32389434.04 37450126.95 53326877.78 52403543.03 28707770.47 30589125.46 16852472.47 32737064.04 19906947.72 15960338.08 51372342.48 18059429.75 31547665.78 76411291.77 37164334.73 8473665.497 32392041.46 13616012.9 28432076.68 19505618.58 32965991.22 43206704.55 19169866.74 78025177.36 26443663.48 23196373.77 29037323.37 24852012.12 18820743.87 31257277.47 16573757.79 89440217.59 24685742.19 29559418.09 26361803.54 16723722.64 7902601.454 50141361.15 15303547 22599370.12 33952613.57 35502565.67 40357537.84 42432421.48 33477174.85 35726956.54 35402609.67 34449158.93 36580535.13 36618594.95 33931146.85 34068144.37 1058.014882 5372.403885 4922.793357 2310.595216 6116.951425 6948.773039 TG(50:1)>TG(16:0_16:0_18:1)_feature4 30271396.13 18927038.08 31002395.55 25303672.81 20808576.02 11413816.91 56702026.58 75190332.51 42254614.74 63436074.64 33130304.18 39672290.6 49980678.99 55144872.13 33087599.58 32119182.61 19646194.73 37113694.64 22923252.51 17636994.96 48136185.33 17891010.99 33294394.78 74516486.99 36329793.73 10795015.37 37436756.19 15721400.3 27726635.91 20176183.67 37652108.8 38636385.13 19747307.55 72152548.16 31954363.96 24193395.23 30504146.7 30103519.69 22482575.47 31814258.44 19977340.78 96059115.65 30321756.6 34211457.36 30028334.2 21128008.93 9834396.965 61015049.59 20058752.28 26788818.19 29858505.46 30113409.37 36122259.4 34764624.8 35651468.5 38145812.3 36386550.13 39378373.44 37459464.96 37311535 37340395.23 36323692.09 5183.579612 13642.28044 13427.8656 4071.706593 14155.8027 14048.03655 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 4823031.61 2571560.8 4691146.02 3355144.65 3140413.932 2687850.888 6950749.491 9967496.761 6961357.87 8477284.245 3054862.248 4494151.463 6346919.166 6014834.686 4188119.235 4048044.499 2812070.957 4952971.871 2542377.454 1815173.507 5913357.787 2904450.861 4811650.188 8623072.94 5514755.988 1631081.781 4108436.137 1716684.065 3770645.747 2878793.77 5077066.1 6308548.647 3070859.535 9388149.137 3937033.349 3528598.794 4845689.64 3898652.251 3279778.707 4551325.874 2943933.113 8471664.895 3320423.379 3649163.187 4040204.796 2157085.615 1185975.891 5453080.345 2365757.497 3301695.849 5168964.706 5575571.433 5273637.171 5673471.816 4450730.776 4789468.899 4730121.253 4691796.88 4233952.286 5069792.659 4707986.027 4457043.829 15204.31014 37607.9057 35468.14129 15409.71957 38434.08258 34245.41926 TG(49:3)_M+NH3_feature2 76097.58592 33112.72643 70388.77536 56514.44411 36286.82168 19299.43861 283137.6313 292075.638 109320.9935 310067.8001 114374.8164 234148.3539 302382.2607 241851.6796 81414.81654 105201.6692 38720.33766 137090.3078 52200.48899 43024.95929 211045.3786 31362.77187 110133.1336 623774.0327 85380.42766 22048.95159 151711.2502 40244.90207 78244.74041 49741.23379 98952.57741 117491.0664 32816.1707 511522.3742 77373.13226 67290.08117 77626.15215 95559.27549 55758.28108 67660.92227 41030.68938 967953.7871 83101.3515 95297.09436 99224.28307 47366.88189 16826.30154 327701.7216 43628.17947 64806.93278 109060.0155 113121.1236 199645.1884 164966.6169 110460.0894 138993.6313 108062.4829 132332.945 130846.7375 107541.8296 118229.2801 126726.5039 437.5289129 458.5730638 474.8151425 432.8847848 478.6921137 491.6165684 TG(49:2)_M+NH3_feature4 429440.5065 587735.4623 415117.1139 414725.1634 529668.6746 740621.2157 266052.2895 27480.55759 290439.1185 61733.05389 366608.3091 170519.085 212612.8846 177859.0586 381234.8348 422070.1108 572293.8551 340570.9393 485285.1786 522962.3714 262738.9494 630837.9515 386915.4715 24251.33685 399250.0934 756373.5755 326720.3488 612617.0335 409281.02 489175.3217 408877.0041 230108.3912 620118.901 266691.8344 468201.988 480206.9852 454993.9392 428184.5742 533381.0798 385573.6254 536634.6159 18401.35837 363759.8839 397362.3951 434764.2032 495699.8255 835917.5875 215551.7929 563929.6029 460921.5039 325125.3069 361699.6875 192607.7212 205637.9584 341190.6803 276469.988 335964.8609 326615.0143 331051.0338 324498.7922 313565.8693 317168.4916 593.8362849 529.9923352 546.787436 505.2164439 506.3661497 575.523608 TG(49:2)_M+NH3_feature3 502349.2052 149295.9555 654327.7227 289458.7241 197503.1443 115939.0388 1762166.159 2388357.14 840085.3715 1895883.534 445010.6374 744675.6589 1420266.135 1391627.903 396629.2114 426992.0371 170417.1755 488036.218 175444.0087 110603.0426 1146431.926 135997.2244 616173.9586 2923380.694 675241.7641 84022.78058 545192.909 80492.32873 364485.444 216954.3234 557734.6013 1036978.357 221739.2199 3176317.927 377158.8952 302275.8985 480095.7663 363630.6514 251403.95 429684.3383 117686.1522 4244679.92 320611.6029 484479.2252 333414.1526 119640.8945 69550.4667 1293133.365 163535.5578 152111.6438 769387.086 795295.5077 975810.6649 1021594.41 547248.2864 552964.8092 565094.3066 577618.0949 556177.4114 573363.0554 578090.0413 530511.5663 379.809385 494.0905096 587.2798195 379.8455783 437.1239198 608.7211186 TG(49:2)_M+NH3_feature2 11918.75478 41402.69845 13687.26979 49826.97214 51040.26119 21088.34594 60227.48141 381991.5337 164761.0334 358340.5845 107451.3125 119868.8745 311194.4781 191537.5705 106749.7956 98258.83897 51938.89087 135581.6572 54023.71517 44250.63987 144420.858 26246.2206 82980.57313 345606.5358 23896.59201 21261.97094 146625.0972 40198.00753 82478.69792 54899.23956 104018.0585 21409.49754 3374.109206 58373.59517 74612.46524 63472.21954 14189.20182 79192.35414 48339.42105 56337.72646 47043.06845 1040732.095 99558.95894 102357.3013 77869.69759 49416.91093 21382.97388 267395.8881 46279.60297 53988.22375 90146.95183 127791.1096 125979.9476 146689.4682 96479.83963 137243.9163 109998.6763 104065.544 123057.2655 121106.4657 103191.1478 114632.5919 272.1276467 474.3047787 500.6390506 315.3060742 511.5010713 622.0269093 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 520033.5196 231302.8066 622791.4348 382296.2607 255283.154 141101.3668 1651034.725 2416781.89 942472.6308 1898804.709 661296.2421 865100.5138 1239947.872 1332279.633 563347.3218 556419.8062 247223.2145 696913.7787 231706.0093 208504.1948 1117791.692 206736.0167 670074.3451 2689719.046 640951.7388 116071.9249 757018.0204 176357.6577 453945.0439 299671.7499 710148.724 987043.4685 229759.5907 2988934.869 400264.1153 372701.6974 512655.5847 559941.8034 333527.1708 543899.1322 273252.571 3823259.672 442397.3792 596845.1257 487456.0557 255689.9723 98952.03688 1469563.238 245866.869 333951.6531 621994.4418 670914.8466 898543.2819 852539.5886 698531.5046 692322.6018 764628.3927 702867.4427 672778.5431 740832.6026 711884.9194 700358.5182 583.8708812 368.0457739 375.5963475 454.0556635 373.6082103 566.1134389 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 316380.1342 120806.7617 174022.0721 161904.8007 155582.0351 139788.4637 674806.0094 891426.7706 394810.3258 736917.769 216292.5113 298158.3127 425512.2717 481802.8875 280722.4151 258590.7571 134143.3818 262819.0036 107938.1746 62195.83412 410255.3313 93102.70946 362375.3284 818806.3249 253054.351 71577.80384 294862.8434 97378.67755 180161.2274 145699.3766 316368.8346 532413.4635 131198.5421 870925.3015 236439.6814 170558.3733 220361.8872 205261.6101 161096.8106 246814.5762 117138.2657 869413.7292 170572.687 237646.176 228816.1306 119080.3792 48226.86252 430468.7893 121330.5153 152949.4711 293706.7087 292259.9026 316997.3746 368489.5093 237627.4899 279154.1112 299449.7173 247928.4072 273297.5812 161865.0798 295891.6815 283427.6557 330.8243418 951.6311498 660.6648207 556.3235849 465.1105276 1078.493598 TG(48:4)>TG(12:0_18:2_18:2)_M+NH3_feature2 78598.33052 40121.99815 76608.80336 67082.11274 43124.59763 20149.91443 292952.0204 433641.1412 169680.9067 275805.33 113233.2769 223387.298 285558.2587 206529.0465 91232.12142 111321.7628 55734.45212 129581.0118 61171.45198 65824.36197 207169.7104 38095.759 90990.5741 479032.9159 122140.1937 16086.48468 169261.6581 45977.96744 125387.9655 58549.22183 108069.9463 186247.3272 41214.61583 506708.7667 68017.56437 59804.14684 97502.35127 78623.61402 77546.15463 51287.99337 54348.52444 848799.3011 98627.94631 129132.503 81765.07367 71080.10962 19147.959 289517.8402 55548.50024 58636.8772 82662.23988 139601.9884 178292.8033 172317.6738 137681.6716 134650.4103 149715.0829 94361.44553 126795.6785 139442.2496 132031.925 139908.9687 383.5539474 420.8395975 441.1355184 420.0805122 459.0795829 538.1480918 TG(48:3)_M+NH3_feature2 561391.3334 217097.1237 538397.3965 359411.026 241263.595 114769.7916 1733475.056 2417170.307 1054337.235 1877765.786 1048522.86 2059851.134 2348687.964 2330936.575 704441.3967 805872.7547 324335.1103 1097955.185 582030.5532 343305.1725 1135578.954 176595.5467 638274.8763 3383102.402 514362.2056 175578.6975 1197687.951 276416.6572 837537.9184 468923.1162 835010.315 916912.3947 251574.9788 2955162.352 521272.4046 393047.1544 510199.1115 706055.6343 340967.2784 405924.2415 396177.0015 8012964.958 717640.705 716429.4267 730577.4941 431090.9424 151815.1363 2680920.908 293972.8716 470312.7567 742289.7037 866195.8101 979381.8449 1001573.371 921051.9 922850.0244 752171.1959 751909.5026 939815.1166 789260.8514 863609.1686 910782.5817 385.6676585 402.7733337 423.3848022 391.231243 411.8526577 412.0361972 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature2 59355.85564 17347.79435 42842.9198 35897.53603 34002.18086 15663.50064 149786.0854 314857.6613 107577.5623 149145.8162 72498.77294 130223.7775 112134.6246 171924.8308 57612.43778 67689.95828 29380.09229 95062.2151 56959.4942 27220.08085 95957.47006 22347.96652 48052.66253 178923.2805 72251.78909 14759.62993 76449.20113 23912.39186 67593.25307 34464.8571 77040.34259 117529.7769 39020.20841 206520.0971 61096.30127 57896.66713 61356.44151 41342.15596 29717.97994 55205.79226 32435.26421 322452.9808 49983.32913 72262.48149 37912.25887 35291.05871 12440.52498 150988.634 25092.72508 43322.20194 128648.2385 130002.0396 118240.6709 132371.041 98359.82989 57582.60725 83037.95209 79560.39836 79584.77935 70838.01418 75073.80126 92999.14167 290.9768261 301.9078325 319.3645891 508.085505 561.2274768 552.935811 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature3 3388371.873 1701460.98 3853196.639 2426746.319 2003672.322 998167.3498 8508399.679 13715135.74 6241864.183 10698803.54 6330600.884 7976058.014 14168819.47 11967360.55 4580065.401 5012435.185 2223087.249 7046928.468 3757113.222 2342439.813 7068521.596 1648453.596 3754510.053 14401075.55 4432860.353 1084239.022 6103704.46 2099667.373 4603274.421 2797635.108 5902722.98 5827670.858 1771183.084 13330790.87 3800051.529 2443617.328 3503881.439 4370976.153 2521278.506 3458995.322 2739823.097 30411818.4 4735863.87 5103487.639 4756267.971 2580700.113 1010656.504 13671607.9 1975372.756 3181926.826 5432574.246 5477604.722 5681919.55 5898460.043 5621670.403 5959565.043 5767073.763 5948802.748 5018073.53 5792456.693 5270479.846 6257733.801 768.6146502 1968.078122 1965.593026 859.1202585 1844.258097 2561.913465 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature3 4814184.362 2425107.704 4660631.552 3490683.007 2772041.756 1511072.288 10624265.71 15097564.16 8868520.528 11222919.29 8291850.487 11426715.9 15078983.11 13905723.31 6875122.545 7380507.792 3399563.903 9045022.308 6196940.392 3473976.531 8442916.766 2515380.121 5158735.348 13689415.64 6514184.768 1871106.694 8223479.753 3669544.792 6075082.47 4087078.465 7610506.607 6905146.127 3097827.425 11236061 5806887.805 4134969.956 4631609.482 6094267.777 3362587.502 4776281.415 4061111.057 26044980.9 6455283.187 7058764.421 7503001.02 4201601.394 1890557.107 14718001.6 3228101.561 5387136.441 5976151.042 5889746.694 5910764.774 5780628.886 7374281.655 7599872.032 7403304.41 7707332.958 7656450.943 7597035.302 7151758.048 7632789.037 384.1759138 2412.127576 2831.719854 419.1458082 1386.514904 3567.235838 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature2 47197.49485 18976.31023 47620.78059 28861.04152 28555.47927 15829.60132 107936.0976 180550.3355 85969.68947 91676.95211 85475.50448 112373.3246 102240.3755 150229.2239 97504.93305 77845.21608 35026.63527 96849.60871 78279.52407 31397.02603 77108.98361 18976.15921 42184.35895 45669.85855 55936.84821 22571.52376 81101.42984 32974.92938 67470.24269 43997.64997 85670.42524 79618.22646 32071.36049 103354.6619 61798.26512 49588.26563 45151.26756 59439.42198 28699.04183 42298.19082 42960.84525 106583.8074 68003.07523 71814.35672 86263.91827 45916.18891 18173.32531 82639.0392 31027.35734 59699.561 77891.64307 94916.34454 73643.28245 84017.50517 101661.5693 86134.04186 75468.31465 80517.92815 71902.53288 87377.34345 90223.00869 103373.9093 148.2113968 185.3105241 162.9763408 300.8863675 309.7403259 835.7219953 TG(48:0)>TG(16:0/16:0/16:0)_and_TG(14:0_16:0_18:0)_M+NH3_feature1 6709399.02 3348237.502 5744453.421 4488443.28 3969388.725 2448862.603 11815426.27 14034778.4 10305319.33 12672610.25 6313942.34 7993523.981 11630202.9 11556681.46 7173146.641 6694670.997 3939708.499 7962680.812 5035291.725 3297969.891 8961675.479 3707128.766 7092563.568 14460828.81 8315965.861 2160520.439 7544176.21 3275323.625 6034524.26 4865136.937 8136190.851 8842080.421 4305670.393 15140254.59 6971235.457 5391609.376 5990011.599 7181749.068 4610383.303 5776923.192 4210244.952 17814096.79 5707888.561 7229229.537 6518940.429 3998211.393 1907618.301 11398296.31 3641909.004 5404582.74 6703719.514 6745230.408 7164856.911 6853312.125 7240670.692 8205803.571 7937039.034 7575219.861 7689076.782 7807594.031 7803214.197 7624706.471 7177.986247 22081.63933 20953.55085 8036.083556 22417.82617 23503.82477 TG(46:3)>TG(10:0_18:1_18:2)_and_TG(12:0_16:1_18:2)_M+NH3_feature1 120431.0024 64984.46011 151613.2494 84756.84214 66054.0506 45195.10695 325379.3572 604681.2757 182026.7193 304239.2124 100240.7796 177868.8523 306226.819 144343.5364 85578.50925 74877.58917 37960.76191 123021.1238 65844.27591 57763.74651 190949.41 48225.2374 94739.16902 344222.3531 118734.2933 16640.467 150104.1838 40208.38468 103915.5373 31313.26654 137811.0729 209455.2334 47660.32648 556091.4888 93188.23068 94276.98403 103649.6793 120440.2907 67156.56223 113939.1713 33896.53389 827459.6175 82914.80351 101861.6284 81572.40011 60454.15365 15168.57426 284459.0342 43830.53512 62904.46098 156785.4461 168909.565 174579.0433 184006.1011 132768.4768 135020.8956 132502.2208 138911.9469 109269.1139 134144.7799 136478.9839 135384.8469 286.412141 320.7043052 366.2470021 297.2710497 441.9602194 381.6296573 TG(46:2)_M+NH3_feature2 352826.6073 154983.3128 390289.4691 215159.0183 167845.9435 89898.71864 1038174.542 1947000.791 673290.6053 1048554.828 552920.2762 910852.3191 1381858.396 1115183.35 357019.5478 481564.3228 164066.5617 542456.8659 326071.2107 194405.7115 618651.3701 155430.6212 372665.6111 1650648.945 490081.2778 97529.08947 583436.4846 171261.8879 381502.7031 223835.7505 561118.0315 644265.2522 183619.2975 1779730.805 355475.7346 294412.7275 358142.2099 413079.9194 212131.5573 328357.025 211438.8412 3889398.196 333749.065 412574.0588 386255.1856 198018.3437 80163.06989 1323458.714 139481.5361 245878.3059 666833.3734 653550.0616 651507.9262 649299.0085 509831.8699 517003.3888 527592.7983 524562.4953 529394.1051 524659.1228 503401.9104 521216.8566 713.7927189 381.2700772 454.4727207 384.8800421 387.0990491 399.6072553 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 564802.9528 197834.9137 520266.3156 336239.1454 248681.6926 127164.274 1644415.961 2799007.919 1137504.049 1710436.352 1114589.331 1841066.579 3094823.722 2412056.998 873264.4259 997276.4576 309267.6273 1197144.715 732294.8184 338739.422 1087633.142 217709.3555 547024.734 2344029.127 723120.4656 179574.0357 1174741.03 347517.0621 790878.301 478613.0434 1051760.121 973301.3915 275927.317 1972322.211 612022.8118 426168.1131 508535.7595 794279.1902 322836.4074 446827.9202 453196.2751 6786696.702 792772.8278 816626.5251 960860.4091 447997.4769 159907.4614 2703059.735 318703.9706 562765.5138 777307.2715 883852.2236 781316.792 869668.7094 991558.415 1004847.999 1053364.18 1021347.796 1004065.154 943713.9027 1064641.563 1000356.877 572.6817622 530.2645343 408.0387077 571.1894489 1689.060363 1232.055664 TG(46:0)>TG(14:0_16:0_16:0)_and_TG(12:0_16:0_18:0)_M+NH3_feature1 909042.1396 459822.84 887843.5831 529476.2445 545854.1536 372239.166 1598547.81 2619361.621 1567963.038 1723469.793 1317226.953 1476871.352 2629888.959 2113308.619 1198762.983 1516278.083 674808.6387 1553542.505 1128021.371 625383.3187 1245688 553040.8033 940896.5147 1801548.699 1287695.243 368815.3243 1295831.303 653434.0267 1072468.384 852577.3008 1372251.938 1406130.953 645208.1542 1597741.036 1104808.121 757445.2591 832590.0606 1035088.296 589523.1219 831872.8157 772586.3393 3412298.444 978704.5657 1213563.433 1293718.077 705469.8457 373967.9275 2026493.005 581496.179 947746.0621 1173398.76 1166608.259 996580.0048 1048487.263 1273265.654 1305290.961 1266744.76 1287035.017 1227878.55 1295764.272 1282352.861 1286051.986 372.7606849 3047.252668 2582.154682 366.3440054 2370.052937 3035.624037 TG(44:2)_M+NH3_feature2 132495.1847 79159.16211 197515.1275 97661.15451 81856.25868 64036.65401 350158.5232 803902.0312 216017.4151 308345.8682 78710.14698 146597.9181 271265.6469 179331.6865 60507.98171 101422.6866 35897.10215 85239.205 46291.64606 47002.78511 198731.2375 54905.45774 111061.8332 285762.2166 156548.1786 17604.58963 114407.8388 28507.88132 83792.13533 42580.72749 168577.1527 267193.233 65769.11865 510807.4483 124673.1028 101955.0685 114555.7014 128134.4492 73132.06595 115241.1271 40898.638 573762.1174 65019.18059 80457.59294 69539.50905 45378.13479 15007.72888 207317.4432 32909.75568 54438.89698 219348.0307 216771.7854 189538.966 190977.2081 131329.976 134801.466 134595.19 130971.3259 122338.3332 133871.7729 133099.3928 134159.5782 326.7830988 363.7483624 374.6947826 319.3875625 449.4222232 445.0601927 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature3 86735.34982 44163.49613 110905.473 57778.1763 49379.12125 28192.40211 245543.8903 581452.0991 146789.7986 242083.7058 115712.7307 197473.7353 323244.821 234543.4605 77521.42449 107309.8764 34282.62517 115027.0938 77574.77603 46137.08181 141968.6953 33363.6632 78654.23863 313702.2064 112530.3744 24939.66131 117825.8595 60582.96479 77137.17855 46173.60085 143562.2795 161279.8767 48436.25311 387553.4063 94415.3475 72599.19552 76575.05522 109861.2097 47657.85196 63199.73985 42477.94174 915549.7329 69322.17517 82049.42219 87255.54266 43008.26675 19948.41372 279144.3224 33056.56779 53292.51041 157515.9869 166294.1213 140370.1855 154533.1905 122442.595 120882.3777 118124.4739 127301.5561 131493.9893 126507.8015 119848.6935 118973.8202 538.8587487 610.2287392 1106.583549 462.1625481 725.8799083 1012.906316 TG(42:1)_M+NH3_feature1 34647.07851 18630.879 53007.05178 22271.72009 20400.13177 20555.90059 69495.71454 190928.7607 47046.16871 61166.99283 20787.76206 45720.03587 100405.4461 57853.58338 19388.78206 35275.20976 12587.10074 26512.6209 40850.1643 16507.9545 38667.3232 10550.62797 31438.88672 50829.10269 30356.14288 10053.37552 40533.44588 13760.07932 22010.78582 14268.35282 39819.18895 49673.16691 14494.52712 77775.58132 30010.55921 22717.07491 22579.15332 30368.0206 14196.13903 24063.01299 12946.2153 181253.7176 21408.3545 20526.95082 24713.95865 14642.49874 5295.422019 56686.57717 12140.3379 15463.43192 43223.46675 41971.39925 41355.91703 40552.08152 36983.87675 35840.28549 34137.29651 39554.30814 36063.30862 36025.71919 36549.83382 36099.71758 369.5933822 768.3232201 1191.41445 997.6128676 877.2042347 646.4120125 TG(40:4)>TG(4:0_18:2_18:2)_M+NH3_feature1 19907.44683 10646.44247 31065.69262 14421.25279 12204.11239 8863.612425 53461.14963 85346.14268 26013.75535 59037.56754 25671.62416 46444.98578 81438.60754 66315.46874 18380.94237 38844.55299 13874.91328 33227.1677 13954.52026 17588.62324 25809.25557 10264.77216 24412.1858 50457.24115 20893.70875 4702.246173 42686.36439 11302.60132 32386.34063 14568.49643 16848.02613 24075.03843 5627.761009 69590.22785 11161.12493 10869.49641 10276.38185 11004.25452 8496.679672 9184.483996 9971.039853 130446.3815 17511.96593 17881.63492 14803.29352 22139.80721 3701.931118 30012.12122 7169.596869 17335.18598 30746.91873 29816.47835 40447.48825 39226.22063 26688.66699 28185.85674 25066.10523 26753.60744 27786.96182 28961.58795 27902.48264 25183.70444 291.7618019 464.0315761 453.5196294 282.263838 437.1794342 467.3359998 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 72870.12648 39358.50698 111149.7056 61358.30352 45149.14179 32876.12818 205538.6742 340178.3502 117084.3204 232836.8254 105995.9787 171527.0825 337090.8294 283727.8491 71669.38506 162653.0629 53361.15994 103996.0603 57259.52858 72622.52517 97082.99052 33727.90965 66403.99462 205978.8794 72314.4152 14108.81058 132734.3513 39162.71011 100217.1194 57829.68779 55033.9489 85633.96926 22229.1273 234416.3456 42574.88085 34602.77305 30646.48478 41740.46935 31845.97045 37075.66135 36906.41217 404066.3028 71258.49878 53876.14783 56109.03201 42023.91323 13610.51555 140141.2658 27241.1956 50729.53117 90501.66325 87896.80378 124513.1779 110697.8657 96946.00233 102766.3112 102352.6854 103791.2585 101906.6779 107295.6049 101746.0417 96761.49157 220.6021547 336.4903586 358.2616207 207.6537379 269.0048818 399.9031575 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature2 33514.24485 35816.88377 107776.6583 26462.43349 26377.2599 38805.27961 91198.82752 198825.3117 35530.09416 115040.6857 72327.00812 112410.8213 259663.0736 181575.4728 43911.36722 107602.3765 35636.58774 70571.60362 55549.49811 55014.64243 79476.75382 34824.60802 56745.41304 84173.13677 67960.40477 31023.09391 80957.83682 50510.49208 59990.40381 26558.22242 33452.70645 24561.25566 15270.4805 92903.98425 26874.08011 14014.71426 19156.0178 24613.43437 10975.99056 10185.327 20734.79984 291543.1348 46985.08106 35591.64015 37999.46197 25000.3368 10142.32791 81819.09408 11875.99242 31111.06888 52898.87137 45911.47856 59509.55066 59313.56943 61500.04448 56508.0133 59203.28494 57945.53798 52264.54788 60944.12929 60264.62141 58577.74638 315.0386801 643.7370883 432.8225586 313.3636332 373.8912004 551.6412289 TG(40:1)_M+NH3_feature3 37410.23987 24660.07264 74010.3988 27697.78219 27472.76493 28686.01476 83105.24223 221630.433 62907.86594 96375.99982 50959.26568 71685.11945 185167.4697 119412.2183 41117.77795 91326.40434 36746.42285 58374.39814 24364.61962 38259.86248 40371.21295 21098.35175 38268.99407 65231.25063 44334.61339 24419.47274 73545.671 32145.87232 55484.54842 35297.29708 30360.44089 46019.18453 15475.11027 81907.46774 26363.61835 21322.68504 17814.75324 24482.55609 16126.70477 21577.14125 21561.52805 207886.9891 41192.17669 34099.25736 40528.11601 24895.82814 10750.72566 65804.16231 19722.39516 32796.61742 48743.19743 44507.41275 54598.02627 52869.9078 49521.6204 46854.284 49241.99723 48821.78662 48552.13428 46124.47971 47666.60983 50091.40935 293.7182107 302.3047742 422.2058133 256.5069615 380.9304903 384.4905973 TG(40:1)_M+NH3_feature1 6907.509149 4259.596698 12070.93686 3348.012709 4506.877702 4537.290738 14564.17087 42443.6868 8299.710329 11808.39808 13019.10059 15797.76025 57405.20497 28003.76118 9254.501827 19371.49852 4645.696658 13001.61103 17892.09866 10827.24111 4570.562674 2528.686833 2561.742425 7112.158033 4647.112479 3375.793823 18520.2106 7379.728504 9086.665389 5196.097079 5245.006278 5637.597757 1873.09913 7278.930818 6010.227727 3271.958451 2128.230903 5361.682629 2058.174103 1780.975072 4556.810379 46538.93941 7321.294613 7274.060628 6040.779551 5310.826661 2279.194223 11629.82943 4171.914981 4303.045121 7755.188176 13170.00102 11103.98233 13205.36752 9996.652009 9808.845061 9732.713362 9299.757238 8011.79019 10491.75036 9045.530178 10449.80008 213.4597107 703.2720645 244.6907433 238.7732396 333.4271992 363.6546919 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature2 74620.94224 38842.55485 130917.9771 55078.90075 49204.73085 46103.74047 173775.369 394661.1015 108634.8029 216665.1147 139999.3453 208905.989 470749.2587 326715.6842 88177.22072 229692.4882 68225.27261 143451.3807 91753.85109 88573.70001 84906.93881 31989.09379 55991.62549 157789.031 70490.02652 30695.03956 149087.5311 52668.98795 116520.3186 75322.13806 60369.88783 75797.4224 24532.51877 164893.0104 54518.46657 33950.27507 29652.68226 51904.35868 25761.08617 28443.04589 48473.31021 501782.151 87218.26554 62689.56665 79082.66686 47004.98575 20886.34041 158410.0677 33432.50931 60639.93704 94885.37697 93202.03687 99906.09847 93970.20605 103972.9242 110017.9159 104067.2191 107206.7512 108018.6708 104760.3126 108572.0235 104881.3012 333.68927 749.7673002 926.015578 285.3448892 879.0512322 621.8064187 TG(36:2)>TG(2:0_16:0_18:2)_M+NH3_feature3 25707.19442 19035.7694 64784.37875 24829.3973 21332.19436 14808.86708 70582.98467 110140.0875 40526.96299 81168.00649 32214.87835 47339.11583 91617.62758 79097.11824 21947.0163 50249.14546 22018.28227 39472.57366 18849.32677 24829.9507 45809.5028 8874.877357 37518.64512 86146.84994 22094.2755 6634.463528 49515.92848 20418.19977 43985.55753 22452.37757 21625.39485 31768.08661 10961.6659 145679.0584 18431.85558 20971.98172 23106.54746 18930.82769 14246.16992 20119.37454 11952.52691 189889.7849 22380.80796 26052.86529 26004.50718 27152.36794 7038.093475 45955.20496 13079.82575 24683.77524 34038.39583 31952.43445 50297.7477 47161.39355 38918.99989 37579.51227 37123.10219 37935.88536 39805.21916 38167.02364 38092.13982 37786.34889 270.8063377 1543.353901 839.2845657 254.3644827 1461.153712 1149.52941 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature3 31657.1527 19800.78984 66405.91502 28469.76452 21662.11771 16424.77353 79303.04366 126891.0617 49989.55112 100313.33 41976.5292 72756.69884 154512.9966 109364.4676 29527.26771 74572.33407 28820.84298 46335.56545 28709.36019 24471.06904 54014.09622 17076.92534 30823.40309 103071.6041 38372.92163 29089.92106 60990.75977 32357.83254 40609.52886 27139.66356 22937.20441 34427.86764 11246.13933 137715.9839 20804.46416 18573.877 18708.04697 21203.1173 14571.76999 19928.56998 12717.24667 194423.3166 32012.39797 25071.21156 29626.40659 15726.13896 7196.584673 58543.76131 15069.97288 24296.64163 29570.39897 29646.42136 46196.5775 38892.95525 47084.73733 43183.11652 49943.87866 47209.57398 43355.92146 45298.02842 48796.18267 45557.50979 273.5592584 802.7097822 444.8857562 268.7053671 400.3255114 518.0041805 TG(36:0)>TG(4:0_16:0_16:0)_M+NH3_feature4 45254.21455 17844.77003 68006.22993 31928.74347 35880.20313 44801.65452 61925.76789 149044.2166 50768.10919 66954.75052 48974.23011 69883.97394 185932.1992 103442.8276 41898.38499 89898.22411 36653.77146 65151.13971 49370.99574 44536.60936 47120.24825 25918.26742 33337.90928 50863.21258 36343.32373 24959.09768 64431.7525 10961.94481 49863.27071 42791.27397 33514.01318 38146.40249 18417.80432 50635.35011 29486.24667 16728.21221 9806.187867 26696.69737 11026.38801 16353.31284 25946.56991 142475.2935 40194.65012 42187.37292 39334.17318 28602.14549 8936.892254 48765.02931 24705.08906 33415.5344 47849.90709 45322.70702 43066.57626 47984.59719 47730.00049 51859.36363 47188.13181 43858.21691 54340.07012 46532.44165 48024.99626 49388.74007 5589.858447 4740.192541 4784.228806 3074.822327 7569.380274 6693.652229 sn-glycero-3-phosphocholine_feature1 1392209.685 1655083.397 1750196.52 1588938.439 2405242.078 2535886.635 1214065.564 853521.4072 1239779.262 890551.857 679958.7732 1138834.237 701635.4914 649247.0339 873378.5606 1296783.728 1166670.015 1132497.817 734311.4217 1875651.062 1038244.338 1161376.883 1038761.584 794354.471 1231599.426 1174862.887 1506640.607 883238.9927 1560035.986 1206278.581 1306750.497 1211623.305 1079185.371 1415271.057 1100148.298 1121409.815 1565371.07 1375540.624 914215.9198 1706899.3 1081216.029 950129.4007 1231288.085 1412436.348 878969.2742 2724158.94 973224.981 1072410.653 1677911.119 1486839.237 1462074.762 1809159.374 1072434.196 1207691.067 1193646.398 1351749.523 1413408.393 1328418.486 1240170.637 1069431.083 1357227.492 1361867.779 402.639046 5779.076565 5688.889986 1036.092147 6577.147488 6544.679686 SM(d43:1)_feature2 63202.48399 99955.78103 69641.67272 65686.87396 76158.95721 71020.93589 79492.84296 77549.86539 69417.1861 46305.22048 36044.8715 27735.83698 16669.95668 16164.31857 35444.36086 40598.05843 25938.94073 25607.44391 27793.76697 49045.31712 66992.45394 64089.769 102667.3538 48544.61506 113231.679 47842.85439 61753.81936 35938.87014 49853.48955 73438.34431 92020.8736 102350.7343 61712.78341 72135.7103 61105.61345 64339.09944 90816.20157 62528.11173 71972.33696 85231.54943 23063.12789 43547.76476 72579.93062 56517.71376 84048.71605 78186.26854 24196.11387 30290.5004 44895.11966 44579.13744 41613.29864 40800.90058 42798.56161 41490.57172 51940.34019 51543.70564 59750.30388 57299.47914 49454.43668 58881.83178 49293.66037 55244.63167 536.684823 573.2331664 778.7428076 520.2597793 619.0289177 957.747104 SM(d42:3)_feature1 532394.56 500439.4687 727204.3163 412809.8208 493057.3884 523066.0127 495713.9433 604100.5677 529397.9764 311315.5037 397106.3954 453256.3388 629349.5344 362813.2497 437516.743 366535.6356 368798.7189 502015.6605 326688.341 463050.9135 544622.9841 652311.6256 513935.0564 323049.0202 713694.0381 584516.5146 922376.3969 345192.8956 746219.5416 340120.6293 327115.1624 404936.6736 318328.0627 357385.3568 352656.0743 394970.0839 551809.6629 301058.7386 314414.4068 523540.3025 339194.759 702890.8391 346595.0613 606527.8777 428455.7251 1716973.709 415896.2603 382766.1276 472872.8427 776742.9415 315329.787 286945.6696 308436.9542 286273.5623 500708.2885 525487.846 500530.1787 494081.4795 488143.5047 527982.4053 498431.3466 509353.5198 566.5457813 575.3172449 593.7040578 529.8093936 526.3992663 592.845513 SM(d42:2)_feature2 2746427.492 2653718.594 4294838.805 2201151.356 2632038.33 2940348.461 3082150.549 3268308.609 2797181.831 1684212.603 2503320.484 2848653.602 3184922.485 2126804.081 2639458.323 2356435.362 2213730.289 3974730.318 1952434.756 2841943.444 3050617.899 3569868.353 3582565.969 1763995.976 3756512.264 3314075.036 7369962.6 2094179.382 4834294.57 2282158.584 1994491.239 2150384.655 1857075.264 1941346.633 2071896.532 2440256.12 3741488.584 1632680.136 2075881.271 2758272.048 2031390.114 5408436.766 2058096.292 4241126.633 2664888.769 18483264.43 3348740.069 2339871.942 2917062.612 6592619.101 1775892.133 1714463.295 1842631.487 1850862.621 3111818.377 3199430.573 3152633.601 3093918.176 3266677.89 2973076.224 3217991.777 3153931.702 1018.27349 1725.913296 1765.446416 987.8799343 1656.632574 1675.483465 SM(d42:1)_feature2 2501970.845 2322780.892 3640047.367 1980319.298 2334027.185 2496562.005 2947214.05 3090175.538 2628426.658 1783100.327 2019953.228 2328720.687 2784348.18 1821805.143 2498042.6 2350489.482 2058324.304 2604007.629 1706416.012 2685313.294 2578364.598 3107538.26 3539867.438 1666688.622 3640376.861 2964671.63 4197897.352 1773670.294 3937806.3 2263836.973 1903814.103 2157903.763 1806246.976 1902359.132 1979192.665 2356174.162 2802782.056 1734089.713 1989619.74 2600894.122 2048643.62 3640026.765 2012961.27 3670338.787 2589866.859 10105960.34 2195351.229 1994823.703 2588037.502 3596342.834 1578729.9 1567683.526 1739880.055 1618586.263 2705072.725 2755283.399 2571855.633 2543245.845 2765693.473 2711276.046 2713770.321 2640638.987 465.577521 459.8339388 483.4331266 451.4186258 445.1279679 529.9750937 SM(d41:2)_feature2and3 43517.49102 49333.90993 66993.01271 42460.89694 40699.26301 57582.80561 54310.05039 55359.9817 52798.65236 40651.36087 40919.00904 64359.15733 55508.81751 46540.26508 52735.61467 50136.70895 48837.83569 47779.92003 41046.55958 58941.98129 55694.19329 60662.26439 51051.58377 39622.26029 64116.04408 69868.48135 95535.56855 41570.91161 78739.5127 44350.76552 38140.36893 39036.76976 42809.52792 43222.90722 32840.12472 40933.83062 55220.18703 35075.46537 39567.29909 52319.90772 49131.49208 64662.45485 54589.88571 68415.8665 46729.91361 208735.3546 45582.07107 53048.3017 55126.12051 59778.58169 29887.76875 25480.91867 40428.2307 32664.91688 64827.80667 67380.20427 56070.93703 65537.34625 67246.19695 66690.36387 64980.43339 61940.83859 729.1427316 796.6920067 1080.247968 570.7150358 655.129478 1095.357694 SM(d41:1)_feature1 643065.2702 627310.6739 838806.1137 607548.0929 565707.7751 818199.1095 686361.4006 691605.7729 750982.2368 475102.622 499602.6883 672294.666 805097.2317 541328.2826 691023.0429 690010.3196 691197.7289 509518.2795 504217.0467 857933.2287 644551.4604 720141.7849 664278.468 469391.2726 822650.0562 856898.5081 1055680.798 549456.5016 899771.658 583555.0191 466580.9198 560791.5647 448344.6763 535290.266 427789.5773 557090.6728 575389.4221 454772.1038 516520.9526 692383.8968 600722.6476 623051.9727 685336.9903 825783.031 568884.8631 1489255.519 529004.2485 669905.8305 731703.9604 785955.3543 371098.4036 311180.9876 462349.3146 434952.2751 676312.6182 676533.6146 701488.8486 697719.0164 667068.9698 689167.4423 721471.9201 656702.3889 555.6979606 1213.664184 1374.973643 494.2216292 1234.621695 1202.345368 SM(d40:2)_feature2 63956.63206 53615.16702 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424394.7279 472556.3847 495981.7224 317256.4088 460701.71 930259.2114 577734.3694 455407.2028 480842.4011 659452.8463 484256.2454 603967.7715 78571.60126 482105.0853 297458.2957 399548.8042 577803.5454 345591.8561 593571.0407 326801.9071 585898.104 481177.1502 506275.0918 396415.5161 687799.0189 347765.9043 612367.0398 508016.2019 658420.5075 442832.4603 530704.9816 247234.1758 407347.0519 371966.4472 430193.0824 115816.1516 136906.6708 220984.959 262786.493 447626.1942 522736.106 484692.2852 509356.2977 408298.4985 412952.557 500506.0728 511735.992 771.0667904 751.6729482 779.9227057 792.8541296 796.7084152 910.4994292 PI(38:5)>PI(18:1_20:4)_feature1 49193.77085 48545.179 31655.23887 39023.9231 25223.81913 45009.66566 43455.07714 53242.83185 43181.69122 30619.51586 37274.57208 60073.46383 57948.33784 37807.06862 47151.23042 42180.39689 34522.3195 38908.48172 35623.29746 43078.84367 54666.04337 40110.37842 34564.34738 27479.36881 42057.66776 41937.49118 66245.37618 8752.851745 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18571485.11 17673994.19 15562629.84 23580064.79 18088879.78 21650527.98 7250265.026 19295841.01 14726655.5 13885907.36 17754341.55 13201493.06 16606311.52 12017598.15 15929578.42 16757484.78 11476944.73 13185065.82 22166341.91 16911810.5 15022442.95 17458336.48 17782303.17 15997486.8 19514291.69 11421340.52 14903858.42 17149567.7 17303580.82 13085093.67 12983411.98 14909071.61 15387236.22 17135881.34 17605067.08 17878289.49 17430979.28 17238526 17168791.14 17445170.06 17608597.04 1055.93444 1046.65467 1029.036078 989.7579963 1014.923427 1061.644691 PE(O-40:7)>PE(O-18:1/22:6)_feature6 147312.3952 145255.3599 151931.0605 117534.3121 95031.52388 179170.0701 140958.9837 153387.6433 154452.8896 58434.71281 76552.32466 97156.74716 122349.793 80715.94389 96750.5003 119272.5686 120590.7285 102266.0406 65237.51766 127409.9387 175203.182 151573.4479 126363.1778 90081.17714 173713.0112 143887.5413 167696.6223 50010.00839 146727.6456 47527.35808 83060.99504 113194.4875 56948.77213 105451.348 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397750.9609 663168.5671 501641.9798 479825.8012 984053.4573 320550.147 369504.1734 470639.3391 430298.5013 470647.1225 413421.4597 697532.3301 561014.4867 626146.1177 660566.8572 690354.8041 566240.238 572956.9714 633238.5339 706705.1139 614132.2487 625.9569232 1167.723533 1125.197348 492.4498783 885.0486435 953.8452322 PC(32:1)_feature1 6719722.253 4763440.749 5620697.838 4727091.035 4208867.391 6030480.814 6356735.534 6717502.513 7113218.675 5183818.546 6289321.616 7075027.255 7900521.747 7375056.634 6402456.555 6950770.156 5850857.023 7330344.055 5665031.229 4825832.703 7000673.502 7886723.229 8056437.524 7600121.493 7110898.609 5347392.009 8501667.836 2909500.157 6865516.888 5675505.787 5397420.001 4898335.946 4844508.873 5391516.098 4195568.971 5485072.436 7586829.823 4552365.594 4712367.142 5902873.044 6550304.122 7686058.943 6180039.449 6479827.194 6182942.785 13064845.46 4597001.653 4869080.411 5241023.246 6878484.108 3942613.827 3159622.49 5225754.177 7147993.23 5855753.883 6432813.495 6303488.508 6241856.362 6509708.935 6241905.827 6195620.933 6054885.351 284.0230718 257.9770628 264.6865168 284.9523266 261.8784072 279.5341006 PC(32:1)_feature2 2293238.317 1513472.923 5549715.837 1345555.413 1139181.084 1996083.277 1720392.734 2248208.265 2234399.35 1932242.889 1908624.323 2122680.287 2211426.901 2383077.494 1854166.06 1881866.391 1788854.729 1714769.355 1878972.608 1830762.306 1989214.261 203699.6172 220439.9713 364091.6909 1874108.068 2812987.921 2442943.899 2303538.973 2436303.359 1565642.643 1328399.085 1656549.013 1451350.014 1809350.386 3358392.776 1622448.679 301271.3212 1695037.18 1549714.023 1715739.742 1914001.342 1722143.467 1895563.523 2042018.483 2358929.262 400975.2241 4595783.574 1390724.936 1835779.705 1786630.803 4012896.703 1947687.508 2089043.297 6974106.68 1925399.263 1720940.16 1563100.452 1875991.374 1753202.12 1662068.634 1792369.481 1828533.035 441.858033 412.8881344 400.7916112 406.2650134 397.1244851 396.975476 PC(32:0)_feature2 35273727.83 28077447.59 27413935.47 24313601.8 24056682.46 30426535.79 35333138.31 39302741.42 36743033.56 28348206.85 26940466.16 29935234.05 26283317.2 26574901.34 31743052.62 24682131.96 24792544.05 26043852.93 27292766.04 26550292.27 36034279.47 31127146.05 28911135.31 27846368.17 37992874.78 31441892.91 35395155.58 17588130.07 30779792.38 24959559.8 27597925.73 33181548.08 26510262.37 29768507.59 26973611.54 31287147.13 29600922.44 30188885.35 26015421.48 35112276.25 27081854.33 30474174.72 28767668.29 32245739.91 28471091.26 43089857.1 21732787.13 28146472.86 29259429.03 32121663.73 18221303.86 18272940.7 18977198.86 18319658.59 30348277.37 30539005.76 28728651.14 30201575.91 30956562.87 30186969.94 30720157.74 29483082.98 1349.200104 2982.684877 2995.17584 4036.935491 2710.27471 3550.524382 PC(31:1)_feature1 56822.2863 59628.3428 59697.73755 45442.702 35596.56673 82247.78404 57289.23619 65901.83915 71511.23744 37033.31981 39780.28017 49576.24166 69203.3264 54004.44474 51725.62282 64448.34231 49008.72298 29919.49351 36267.5828 47845.97297 80809.98488 62491.61787 59841.06535 46186.75532 82843.21503 32889.27866 58218.32444 20061.46132 53836.5753 34296.73455 40362.99567 52483.93027 36540.72013 50688.40116 34466.86356 54395.55718 47050.16807 29957.39081 41034.56138 55327.3231 49051.00566 41795.863 50484.769 55045.22349 44200.24371 79570.20309 30779.31939 33844.56666 44856.24744 45497.1088 37622.84102 32859.0185 45895.34693 45731.73263 48345.26691 50023.45693 48313.54034 44900.15912 53359.67334 38099.09126 47686.48133 52980.77473 482.74542 329.7397667 1918.82808 345.4641729 315.752238 310.4883426 PC(31:1)_feature2 51154.96641 50669.70253 40941.91238 28596.23636 34906.57414 63099.47201 30695.12363 54267.23409 38477.50073 27237.09024 34516.57277 33457.61565 48843.61723 34597.16262 42984.94499 32376.48113 44982.67093 32879.78904 30178.8276 41088.01009 39442.97769 35282.28888 28531.75812 34017.10201 45369.50076 44001.94643 48094.38432 14841.73364 38637.3929 28745.68992 28767.55782 36432.32741 25432.30108 32427.33605 22671.76004 29645.18448 27439.37344 18609.58525 29994.21196 29282.27864 38324.97517 34947.79973 42338.24385 46727.18793 38783.24413 42707.82479 32311.01783 36161.14023 39793.34969 38051.70756 20286.7566 25043.79329 24255.41974 21452.4986 33042.93366 38214.68632 34557.7224 35613.77927 39920.96055 43354.67852 33900.33095 31643.36782 217.2426624 202.9841379 206.0715262 243.22392 226.9850589 237.3621526 PC(31:0)_feature1 94139.66108 67581.00124 71105.70108 87810.98364 107205.0265 199459.0975 89967.24318 149682.104 92828.13962 72296.63086 79635.78295 55681.20787 103727.7724 78150.79002 73583.06974 85981.43365 90593.38576 74568.55975 72811.20539 125073.7379 139014.5505 63052.9464 86866.63124 71776.5505 97652.79414 97195.69695 135200.3659 46499.83698 108911.0588 76898.26682 91613.48936 76086.89303 66131.17194 105293.6981 72284.76057 127337.7619 95678.32031 58532.45801 71464.95746 112295.2971 66670.47069 53486.81596 102662.4169 131269.4581 50834.91329 89975.73162 46724.75329 103204.9735 97550.21482 85486.59069 64672.66225 50167.98111 75228.83354 106416.7835 87451.97197 87034.56678 93596.09893 99812.70049 87162.78236 93087.21362 81272.52623 93559.71399 249.5198247 233.6154514 226.5181019 266.595851 261.2017485 249.1333658 PC(31:0)_feature2 1783204.201 1448179.33 1391146.663 1069995.032 994216.0373 1765914.095 1513715.082 2118331.759 1803153.561 1208721.732 1116617.503 1208654.92 1113552.171 1141642.166 1295591.787 1121663.851 1076472.562 967380.178 949759.7582 1205094.643 1890937.148 1563525.559 1241486.878 1123712.951 1747795.312 1331084.07 1648299.394 497742.2998 1281984.047 908479.7325 1119383.74 1498336.381 1105652.531 1421057.836 945957.6061 1421833.146 1385368.116 1112970.765 1087274.663 1596892.286 1100777.699 1206544.857 1313064.153 1806075.656 1204047.522 1812154.882 796352.6131 1092546.466 1215010.59 1322336.512 724356.2144 712286.3843 850682.7265 821673.2228 1288954.48 1385928.048 1306637.69 1315812.218 1285349.347 1349058.98 1305699.649 1335162.293 261.3747765 241.4658099 353.9407105 301.6264049 228.1738707 229.146386 PC(30:0)_feature1 2459770.62 2096720.302 2277481.603 1823352.773 1648544.433 3033118.792 2275371.722 2988928.318 2802425.643 2145335.408 2014241.421 2148528.958 2392130.051 2325252.909 2182546.234 2340256.648 2235548.727 2296012.703 2044211.847 2213297.659 2964936.277 2577916.581 2217517.868 2327229.333 3052106.842 2433882.01 3272524.46 1080602.724 2688171.416 2099365.588 1924013.895 2123947.934 1836562.478 2227094.844 1954573.26 2339600.904 2339199.656 1766144.337 1877736.772 2580621.634 2329246.771 2342630.902 1946004.744 2480916.515 2160567.607 4468753.586 1651092.71 1824060.9 2282755.274 2525821.491 1128729.3 1151848.601 1376889.576 1354464.313 2420460.571 2254663.538 2222685.031 2338432.019 2397573.362 2324750.293 2399910.517 2256536.373 239.7421457 223.6553836 226.6999938 235.9317862 219.7018892 229.2458721 LPE(O-18:2)_feature1 19752.81365 14550.44897 28681.83099 12566.21384 16556.64976 13186.53695 22458.48837 24185.80712 19119.31469 8382.651307 18582.51251 22966.26984 13255.76128 16275.66894 15560.39958 17091.18571 12119.77454 54309.02885 16235.11365 15439.67438 19737.54356 28874.76239 42422.88633 8744.048329 23761.33289 19604.04934 47496.28368 10835.44925 58500.56888 17191.12056 15130.66536 10726.42122 16333.29725 13615.3712 21165.10051 19880.35331 35063.26512 10119.34736 19590.78293 16142.38178 14208.43985 78948.37558 12688.10139 43691.24558 23299.45944 253992.0897 60059.85455 13173.80212 20956.58011 44718.07723 24784.85094 23057.62984 17964.24767 16690.79716 26574.31445 24817.72075 24843.07145 20694.78543 26157.78859 26968.36345 24907.33091 24591.08019 332.0695412 1150.777482 1220.455003 302.0134808 1110.403348 1165.014969 LPE(18:0)>LPE(18:0/0:0)_feature2 58883.06675 71647.77466 72626.98638 72735.8264 61401.62952 85071.43312 74515.43129 66533.54047 69977.70938 44610.01964 49541.78981 58661.3034 73069.30607 48005.07885 61223.42713 66461.13407 64738.70314 42882.32089 51408.31438 72719.34034 64752.58498 70614.91954 47337.28421 44785.86515 77569.02514 77781.87186 78387.87812 39428.01547 90436.38306 50927.18227 44117.13831 53453.63186 45684.40653 59434.12416 43371.31827 56518.81734 55551.68591 48957.40509 48217.30759 75608.14023 70297.61734 53798.58433 60658.91543 72597.62636 63247.09812 101697.1045 41238.45758 60706.01751 74373.49448 63253.85116 30936.57767 28060.56333 36936.72005 30205.9932 64656.33301 63961.00361 63737.72176 63768.29841 64640.3805 63728.69629 60901.54553 66494.67736 349.7080107 366.2605811 348.7624316 302.9481463 310.2294889 323.5114447 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 74691.84227 48961.82269 67104.50564 51461.95366 50531.82708 63545.12218 82165.16241 102040.6228 75339.12358 54816.47632 41518.11588 48402.52319 46280.61623 43050.99766 52003.10108 43045.82086 48025.80363 44450.72345 58573.01499 41368.0788 46520.98328 47736.63729 43450.42193 36064.76446 69563.54251 58767.46762 82192.8738 48069.06028 70204.90767 51719.25778 44070.57407 55944.07003 43231.41909 50535.66975 43446.96613 49832.32988 66417.87956 60220.72285 34076.51204 55682.61007 47500.94474 35778.41623 50355.19599 67713.09421 50815.00579 77448.13275 24742.56577 55154.03858 68443.54812 55691.01767 24427.78541 23731.19959 28586.72403 20883.75447 60527.1451 45458.03344 56666.26446 81970.95677 63459.69339 50927.52002 59631.09661 56438.17187 179.1588615 2346.776066 2183.161385 152.2029417 1689.641857 1679.465984 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 305096.4358 324072.9255 310025.3765 397535.4878 238417.2125 366840.8304 432606.044 520010.6372 547422.7178 360071.9339 252696.6548 208890.9629 166627.2612 204332.4169 189963.7185 168993.135 237453.0701 192691.4302 299169.6125 232250.0606 451479.2187 376189.8104 227540.6643 198587.4838 565086.9361 385974.6514 495160.8415 227143.1307 351252.1561 194974.3782 220678.1656 257212.0109 366642.4593 343638.2764 275756.2742 290660.0404 481549.9046 316074.6669 263844.4904 500927.5692 244977.7461 184492.8248 265009.0246 287842.5852 269255.1964 383486.785 165559.076 275550.5884 296463.0091 253924.7018 264347.9394 186412.9218 294316.1873 150807.5602 273410.2578 228381.1666 287643.285 323756.0713 294834.3404 334388.0878 225545.8146 272561.6705 358.2336523 8086.476708 7408.502567 286.2137278 4666.335411 4747.427509 LPC(20:1/0:0)_and_LPC(0:0/20:1)_feature1and2 14841.76978 19299.44911 19428.96307 15687.05657 15873.32433 18817.12484 17727.02939 19924.82854 19421.24801 14903.47606 11574.87214 11792.71913 18526.55974 17475.27927 15831.9557 21409.02986 23357.40639 14412.80563 14743.74854 18242.48631 20367.7228 22810.14345 14540.42331 12051.89587 23550.07423 19603.01811 22834.48781 10670.7277 26690.26472 14693.70623 13510.7144 16010.258 15714.70975 13701.01697 14760.63648 15595.06362 23120.69545 13602.31082 15617.74633 20144.60117 14523.62188 17130.70393 16783.35465 19748.22066 15169.68657 26561.68722 10807.02595 13405.53432 18749.94294 19364.05583 13224.08229 10711.62488 14583.94597 14069.29715 15777.09927 18384.98156 17013.95142 18168.92107 17816.58821 16198.08355 16978.59563 17346.27991 169.6490012 170.1839209 163.7342395 155.624081 149.434485 155.5469685 LPC(20:0)>LPC(20:0/0:0)_feature2 22352.31013 20416.82657 24251.8108 20567.85723 16174.96649 27295.17074 25593.40329 29740.50164 25281.23783 12949.55545 16988.01337 17967.02654 23657.96722 21336.79783 18379.25229 20308.53952 15924.30826 19705.54111 19921.55391 20376.93966 26987.91637 25206.87334 18899.67468 14683.40393 26167.49478 20896.51659 27719.69029 11747.37184 25046.36645 15530.48646 13513.34961 19196.15581 13808.46315 17569.52838 13855.11917 19155.48045 21350.39811 12258.65696 14990.53242 21780.89506 14396.20844 16365.30509 19099.9052 28321.52747 18310.82311 28912.95169 14053.75288 15285.64702 14981.80355 27082.29919 14876.87971 11127.4708 16202.3254 16899.65042 18161.95207 19960.80892 18339.65696 17694.23741 22903.27049 18594.9978 19146.2208 17981.58295 370.8431262 1185.361845 1093.624609 423.1808152 1137.524573 1091.368615 LPC(19:0)>LPC(19:0/0:0)_feature2 30350.20856 37641.08361 30200.56709 25861.74713 21419.96079 32108.79801 14523.14067 23260.55419 23985.73287 17129.25407 25081.43685 25159.00061 30943.02234 25177.89735 34315.09703 29539.2774 31661.49692 25398.82299 24414.36168 27899.73236 38642.54178 32068.37081 16534.09818 14173.99522 24498.11283 23246.25072 38735.80648 16178.27977 35730.19084 25373.32678 15740.93515 26456.7819 12732.38767 19693.75733 12765.49355 25689.69707 22999.90521 11697.49881 17338.81741 24067.33312 22724.144 25713.25892 31554.60561 40321.82718 26206.75509 34041.92354 21787.51981 27846.74406 32958.26058 38041.32414 16809.76303 20632.36846 14113.83345 24597.03862 27310.00151 22371.03541 23232.19454 22639.89298 25190.46906 34420.66989 26078.87597 18966.11716 3952.263443 1829.692839 1816.966603 6747.234406 2092.552126 1740.681662 LPC(19:0)>LPC(0:0/19:0)_feature1 14493.55365 15959.03722 13770.3006 13612.24199 15697.43486 21826.72691 30466.38317 30648.45906 24921.95171 18004.01862 9136.199557 8822.291465 12199.3972 10240.17358 12954.4495 10587.6161 11254.63835 9484.26378 9190.079984 9520.746991 22533.21283 23487.3344 22097.6099 22233.79326 28025.3703 11784.19106 16542.07785 6657.69468 15489.41584 7615.967531 19265.52654 16087.25112 19560.78848 19423.76801 15159.76999 11226.84798 25443.31138 11912.61507 23348.18401 23847.28544 9064.999903 8353.513461 10303.63707 14777.53281 10786.28625 14456.26146 6335.64436 9802.091826 12182.21833 14419.59442 9872.384346 8976.559611 23426.9493 9906.36012 14835.50937 13821.36377 12083.5025 13015.52903 12557.52879 13016.20474 14647.73327 13705.62723 166.353485 185.7664626 183.0441484 159.6177717 174.7833131 185.502437 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 283143.8946 295987.7173 359623.7934 364517.9271 569944.5869 784430.0674 479261.0955 305687.1157 606918.0388 290932.2262 319107.6461 378366.811 245315.4995 220504.7493 213035.3968 262568.5642 332719.3767 424689.1813 517771.2277 313750.6388 583225.0854 732587.3672 357278.8804 170478.0101 608623.2213 330654.9789 437005.6596 339183.6849 372734.9815 414834.886 193773.7985 172739.7497 382319.3452 458088.8159 294171.2396 199343.4574 460311.7668 191747.0604 203043.8932 481128.6984 293398.5792 230978.7417 211344.1833 297328.1907 385606.7399 549836.9125 204521.3696 304122.5353 224547.9592 311571.5335 200150.4997 264148.1922 256129.9369 216164.1241 344177.2046 375043.5747 294421.9818 394019.647 451021.4678 279187.4579 286859.8517 405037.7503 298.4243876 6665.266073 6472.804658 299.7158037 5500.594778 4949.776051 LPC(18:1/0:0)_feature2 348894.1199 350455.3135 492898.6656 349342.1203 423385.9531 536812.982 380544.3626 403916.5766 419632.4864 250428.7424 256611.753 270832.014 325607.7512 289779.5704 250563.0441 377726.3443 320763.0021 350457.2285 275681.6321 329753.6057 395168.423 424693.1643 353766.8059 298775.2497 438126.3886 364957.8407 519494.3831 221072.3102 432976.6353 269179.1995 255973.5293 267121.111 250243.6477 287990.1121 283137.1725 256835.101 377293.0452 282669.9214 268700.3862 383357.3721 255865.888 400304.1444 257359.862 363742.4372 279846.5481 759065.434 287129.7147 224101.2211 301265.6011 414440.8741 262609.277 250567.0132 315780.3159 300962.8874 344687.9809 356798.8294 359948.5432 343979.4031 360161.4694 343480.2103 352994.6589 352890.4347 359.8152988 3989.975454 1628.803572 359.4399776 2411.401189 1800.389056 LPC(18:0)>LPC(18:0/0:0)_feature2 5726079.918 5751789.377 5704157.448 5542458.322 4744805.105 7083710.678 6069842.902 6810878.319 7353026.497 4711228.808 5504747.763 5802494.188 5865041.782 5716521.435 7169806.832 5214532.504 6071225.43 5196544.363 5515415.503 5754652.695 6866314.323 5934754.997 4887611.526 4394164.587 7256068.989 6814333.864 8155812.556 4128693.071 7617186.502 4878373.014 4300418.895 5680112.505 5268253.43 5121639.66 4569224.162 5354413.549 5135928.548 4788427.408 4306256.389 7110774.586 5572785.011 5745728.019 5791994.541 7042889.028 5464377.421 10164431.76 4108633.511 5794050.316 7480784.731 7038353.609 2911687.06 2799731.282 3762469.807 2946668.846 5830739.771 6027567.37 5889145.68 5878980.733 6285710.078 5538499.675 6173605.725 5835123.786 573.7174008 647.3185052 948.2221384 2569.119398 819.2319701 1231.559222 LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 77505.08812 77515.09974 85346.80916 74374.9935 69117.50347 99602.2561 79923.77986 99669.47414 103109.8973 60925.96681 54891.34147 50665.10263 56811.39215 50264.95634 64588.03689 57751.7193 59939.98324 51892.03681 54484.76189 65122.9331 111288.2206 94709.54233 69412.2458 61623.94994 98600.38361 68271.19088 85869.48023 38441.65387 76706.99997 49380.11254 57751.45165 74154.67844 56107.89355 69685.29255 53407.97865 62030.72672 77852.83855 56722.50546 59829.53259 89534.46744 54845.73567 50955.13387 61725.87073 76856.98114 61167.06511 87029.60155 43380.85071 57608.93519 67512.27149 68059.28977 40495.49737 54162.14108 61010.51006 59376.32097 68914.70855 67474.18929 66126.2121 68095.10752 69403.60523 69858.0607 66672.83816 67633.18629 163.6951291 941.8129462 934.7026575 165.4560909 852.7134045 875.8446054 LPC(16:0)>LPC(16:0/0:0)_feature2 3969837.326 3777153.647 4053774.605 3337632.161 3645719.77 4728122.158 4077626.266 4717213.121 4820542.561 2794745.286 2734732.377 2823028.919 3255352.746 2772603.421 2956998.048 3231642.998 2879712.504 2689265.691 2555963.458 2975435.238 4834706.414 4176639.912 2877776.462 3039176.565 4681044.106 3346712.477 4091904.854 1917578.454 3915987.083 2521470.028 2919066.838 3334388.017 2600147.266 3284178.85 2701028.415 2934288.235 3367907.692 2870173.419 2583132.168 4115202.697 2754816.887 2782964.267 2699053.705 3177627.855 2845650.795 4023420.779 1965740.304 2568548.468 2944505.212 3231654.411 2203108.208 2056637.779 2540919.141 2488985.081 3447800.363 3421597.723 3239223.25 3329056.782 3326255.365 3428503.966 3382445.963 3385821.078 476.481669 3147.388992 3699.365881 3669.649252 4327.85397 4994.587816 HexCer(d43:1-OH)>HexCer(d18:1/25:0-OH)_feature1 188402.894 117567.2579 182134.298 129118.3591 147163.8967 317200.7923 126071.3642 141894.7708 95596.56329 88782.5433 73930.14626 99056.06382 135197.1198 113182.4083 122764.5388 87113.82012 162628.4046 140042.45 96643.84274 194327.0459 145440.066 117789.0776 68374.24215 86700.75057 102337.2656 126742.7701 98043.89837 35094.92283 119542.8564 125667.4508 92834.50641 122122.575 74586.89077 98527.91059 90616.82634 100191.5227 114754.9213 72130.55664 89761.22976 90333.007 127764.747 101946.0734 116219.4004 218511.207 95050.34275 132425.9765 80355.33123 92074.18847 133826.6275 172173.5729 88299.35321 120515.7817 68238.15615 88768.39595 127947.585 116424.2217 118271.0508 107225.0322 100454.832 110395.7309 113204.2849 146235.0116 170.3585087 176.010035 248.8273534 343.768024 417.5097166 625.3451861 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH)_feature3 45704.83705 14724.91935 79098.09883 10041.8314 30570.69803 21273.76981 71272.38999 49754.51835 54517.89886 14941.45505 80778.39029 76121.70635 24427.44869 51280.27358 52294.53727 58288.38346 30570.83138 192326.5886 36132.19657 52526.72887 39045.10898 74020.46051 133102.8175 14822.96362 53294.62653 57903.94955 335523.6592 70887.07617 169127.9554 79141.33697 39897.03514 21278.22044 39483.09443 22132.6441 34520.66516 65668.16673 132023.9348 18111.70833 53612.29277 23172.01298 26821.84608 264429.5808 22648.78086 185775.2886 128413.42 908827.9585 159187.9213 45590.14709 65081.7665 396923.6193 49697.5566 44702.2211 68105.86266 69834.06979 87836.87418 87224.10989 87652.0788 76529.62635 94611.81859 75977.32199 89230.42116 88447.70473 726.4612331 1250.065973 1259.158337 695.970461 1189.124287 1151.739044 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature3 375488.9336 137438.1517 759970.0282 103386.4612 255930.3492 223473.1324 637146.1147 419095.1863 457889.8527 136350.45 536978.5845 575717.7378 212284.6186 388586.52 412410.3463 506652.2316 244417.1262 1076847.241 269449.8381 376595.4196 330075.5184 589373.6518 1008485.939 127189.3194 518388.0273 535973.1203 1465021.442 425018.7178 1128191.073 636990.3765 341871.3114 224090.7207 359859.5457 221075.7999 317498.7105 566955.8044 830364.6754 166837.7503 388862.3495 211795.3293 241144.4329 1428476.416 197992.4893 1319307.184 1053969.712 5702095.963 972153.6036 383979.0978 494637.7393 1592717.549 351423.1841 378466.9895 583713.7593 559031.7998 600489.774 600662.797 627626.7644 582547.2878 614991.5714 620558.0526 604009.9369 597579.0349 1272.648793 1248.459349 1357.380382 1188.154521 1195.403385 1420.702718 HexCer(d42:1)>HexCer(d18:1/24:0)_feature2 196037.2076 79556.51061 390613.1793 45457.96971 155275.6728 112790.8662 336894.4225 214025.6971 216995.7618 55936.77614 209152.3461 273064.0306 84592.08951 156192.1165 148983.6425 200006.34 97738.36953 620132.6102 141486.981 155878.0877 169411.879 379873.7346 676474.0956 46171.9277 303699.2216 194870.5504 681231.0031 162079.8099 750484.4599 289363.5213 202008.7801 125148.0469 189515.7656 123273.944 228881.9315 356272.5252 548951.2604 89885.76799 229028.6968 135121.0678 88433.27191 1000059.69 61134.69503 748338.1623 544662.7488 3639399.343 693219.7639 125520.0405 161546.7967 848332.298 291077.7876 286317.2947 274304.7412 245908.3815 336450.7296 345658.271 352905.6194 287442.7156 345246.6784 348167.4477 339223.6583 334011.8611 1085.539908 1073.908223 1578.320249 882.6907048 1060.927399 1646.212563 HexCer(d41:1-OH)>HexCer(d18:1/23:0-OH)_feature2 62052.87958 23767.4497 97253.06405 22538.00152 41420.34395 39620.6362 88400.05492 69628.07084 76630.74215 34942.64065 80473.89582 91185.06453 43601.7445 77841.86347 79481.44291 85809.10936 41528.6847 132479.6735 51437.98962 74553.89393 53879.75878 78710.22332 116085.2652 31311.50149 87936.87909 92105.25818 216258.0229 88598.00288 135621.5779 94898.76014 48644.9195 36970.00513 61263.79442 37550.90057 38086.7226 75776.2509 101505.5832 32661.11096 55681.4746 37596.6084 51399.82349 120249.8565 51990.2879 163062.0614 146309.4404 604099.3685 114985.818 80321.11034 101083.6457 225487.2001 47222.63746 42597.99319 111088.6957 102084.0927 87338.19194 92676.68331 92142.2834 91314.8862 89080.14812 95773.74405 94153.23141 85990.50758 793.9498755 1732.115071 1960.190945 660.4882488 1648.621 1604.208852 Eucramide Dimer_feature1 206120.8192 95934.21832 99131.3524 187637.4024 180737.5082 95617.00156 142730.4745 138131.2949 82795.11391 106768.3511 113035.1429 80242.9769 115286.0292 138366.5769 121298.1903 98518.05682 82552.03361 140745.1997 90855.83203 114959.9648 94444.69931 74089.21707 103245.0157 89399.93815 96533.04246 78433.72208 82356.9885 78733.86151 89464.74694 99683.88599 80754.26522 97056.50688 89365.62206 171420.0844 107638.9317 113402.3477 103539.6568 114299.1375 88698.35225 84202.03091 104965.9464 205395.1798 90422.41368 148211.3871 113890.0749 139434.6194 115231.2027 113830.8916 122113.3824 147065.1579 133598.8296 134538.4582 2397065.338 2407847.451 243397.0304 222334.6221 205326.774 217274.0441 216972.3873 228315.171 208353.7445 242479.8634 124514.4149 183182.6094 152330.7866 92493.9213 169863.3356 160578.1476 EA(22:0)_feature1 599415.5415 792492.3318 916682.4581 529343.1544 504220.3132 531418.7514 334595.247 554236.1976 146076.3498 600830.1731 826501.3751 456003.718 658868.504 668619.0533 578519.8448 638745.5577 781983.6528 386369.2586 151151.1374 657403.9772 568046.4791 590648.5632 707521.4634 629123.5512 504294.147 780517.4579 602638.0554 119452.7531 456442.1814 725862.471 769431.1536 675599.077 518207.5405 484609.4389 516317.8398 581705.4102 800145.5476 686205.9338 1271882.208 440174.67 548335.1199 1032406.69 571475.3027 771870.411 934594.8341 648182.4113 497692.9981 728827.52 531499.3733 848251.771 1683.403211 2259.903388 999.5602757 1173.30478 619611.3151 622251.5897 622527.2909 619565.1445 611987.4329 615588.5001 626567.6475 620757.5406 448.5902262 406.232451 447.4190157 463.8610256 425.4900423 505.0745262 EA(18:0)_feature1 124819934.2 189947967.1 141859964.5 102466328.6 117859537.5 120571088.7 101037098.4 141266964.4 112293980.4 112189380.3 177261979.4 113570245.1 201479738.8 132216415 114207532.4 140990506.4 142232296.2 82047755.44 129090492.1 124975250.2 141974274.4 159121132.8 150290284.6 123746875.6 118689836.1 139363536.3 138414589.6 97741803.5 172986653.7 161573770.5 147991742.1 144893550.1 119608525.3 133064101 117878385.6 149902746.5 144881697.6 166677412.9 204684327.2 96916530.7 132225971.7 185010110.2 109011390.6 184246123.3 150800531.3 116061670.7 99131535.01 144116043.7 141106872.7 148459946.2 294956.3285 441629.6954 361089.5294 340001.0585 137581699.2 137644477.8 136501517.1 134421685.4 135766174 140860786.2 134862253.9 137419644.4 229787.1603 213736.3163 269979.7878 226836.3482 204248.6106 207549.2397 EA(17:0)_feature1 2420915.425 3922286.042 2834036.121 1863849.162 2272081.4 2170366.665 1771810.097 3120817.727 551342.0491 2000099.686 3550171.19 2136629.332 4730652.307 2548117.132 1682266.226 2714913.337 2466703.661 1423411.45 647138.456 2259332.309 2385152.837 3255173.164 2470649.083 2385508.633 2281212.995 2610830.482 2956675.161 462974.4338 3519225.066 3102412.391 2858456.983 2878485.747 2109461.116 2916121.062 1923656.354 2669778.313 2998206.553 3664360.538 4289003.136 1549117.912 2822416.964 3802324.639 2190144.836 3570529.671 3079605.868 2165341.508 1849595.568 2887314.569 3109590.705 3040141.496 10897.9597 4883.660424 11905.31728 5236.222787 2735584.931 2414253.437 2733830.717 2267481.812 2707988.554 2701724.231 2268481.081 2768908.444 6338.150795 5578.114848 7611.579333 1971.909878 5852.291561 2395.519754 EA(15:0)_feature1 593165.3678 1245606.213 639697.6083 431134.0439 592038.4991 670529.5932 548628.3325 784818.74 158108.3338 471857.4079 844236.3531 531546.6045 1176541.547 609004.0743 461861.2913 648949.8953 691273.4935 358326.625 195225.0973 623952.7778 691878.8279 804341.0508 668735.9764 662061.2768 564536.3384 624245.2689 750610.2124 134442.6538 1087734.787 925991.7221 644175.1859 662238.506 629289.2179 704392.8058 560842.3576 771623.8017 614635.7647 853649.5406 985113.4689 448198.7932 667497.449 877357.8441 512942.3874 1045661.727 664928.3744 468439.5295 416649.3502 666900.2199 757507.053 748477.8479 1600.94961 932.7927047 589.6059798 954.5036202 687658.1066 683931.8227 655301.8236 657285.6264 662333.7426 677660.3845 669843.8222 686166.0351 1326.760032 1541.963273 1194.047122 872.0353789 785.8311592 1419.774869 DG(40:7)>DG(18:1_22:6_0:0)_M+NH3_feature3 139001.4227 78370.63162 77008.41874 42563.05987 36355.73117 54023.53217 110989.2689 176706.9518 79227.36271 49948.78622 48052.5916 59359.50635 76810.54537 73310.79848 91996.35344 66065.29405 59204.32556 34435.00901 33934.86435 45455.18394 99686.13301 44596.85826 66655.55901 51531.3146 77664.78527 93542.26418 84625.87131 46030.82765 84689.42287 45195.73472 46431.57747 63311.97239 34480.61437 51748.37305 38860.38259 53025.21719 53823.28048 51278.21195 54708.83113 87251.3975 71878.31023 44819.97643 80929.95524 78690.14062 62451.7186 108520.6565 26867.79202 58321.96727 59448.29337 46647.17536 59458.82319 57453.23949 39737.63386 39571.88169 67003.35816 65602.50895 63255.57461 65266.24743 66141.41959 65752.33071 63267.27114 67343.45435 288.6480026 283.0799371 281.1632746 297.6486083 288.0359817 300.7887842 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 62835.91728 41267.9228 53406.61025 33462.77909 30451.43187 46800.15114 54008.26231 71426.92927 46447.0456 31743.89829 35370.17509 39099.15767 37374.15986 40804.21213 38015.94922 32426.05125 47944.43112 34977.59241 34033.02827 42662.9074 69964.34269 41324.36236 31098.40208 34469.20562 49881.71991 58132.98952 59588.95343 31717.09404 56905.50012 31973.71714 31534.67864 32933.88618 31736.3343 41357.802 27781.07452 33244.95586 42921.15304 28921.57795 33530.45833 44646.5628 41950.00458 38310.38273 43574.29631 55719.01348 40343.05411 74019.83994 29462.36322 32927.88663 40125.38472 34829.74305 35476.06191 30831.92956 32902.51879 26587.55961 48681.20474 50758.9407 46221.20515 52021.54114 50777.4035 52712.83529 49845.96436 47215.51094 281.2022118 327.1079492 421.6429658 238.8827794 286.9603047 448.390678 DG(40:4)>DG(18:0_22:4_0:0)_M+NH3_feature3 59681.05555 37003.05339 49352.51209 30039.51327 27440.6557 38350.10539 45328.6077 75106.47096 39893.63407 25960.53696 25035.68514 26776.42644 29374.37374 23576.4801 27546.81678 20370.66553 26751.67318 22845.50986 20178.50269 25827.78267 47222.45397 28453.90073 25656.57351 23447.33651 37403.57988 31484.7744 36856.23056 15995.23096 31176.41346 16821.37558 23058.69813 31098.51775 22749.93725 29921.59044 20803.96596 27877.27278 28148.28687 31291.98538 21360.50788 35433.46741 25535.86569 27633.76569 29818.21017 35007.4542 24737.52093 40419.25172 15909.12031 27073.07451 29561.61381 28385.16163 29133.19854 24048.09123 27282.63198 23503.19836 32348.80113 34256.06194 34847.2177 33237.18446 32999.10007 34657.32172 35203.39097 32045.09895 495.0974876 755.0165025 803.6874717 458.6363921 594.0012363 882.837313 DG(38:5)>DG(18:1_20:4_0:0)_M+NH3_feature2 111965.4006 66850.4257 78780.40277 48251.07353 48636.73848 67056.84078 108474.2671 150642.9964 87459.33396 58316.2986 47553.51018 59008.96502 53690.42785 54376.52866 62294.6803 49819.07726 48829.10732 41178.89454 34306.30398 52950.17647 96427.64638 60396.5714 61532.3711 69722.06569 84179.83129 66318.90728 71591.04408 39904.57039 70549.25808 34279.52625 58797.76852 69343.17064 42484.53566 63248.97556 43651.7554 59623.77726 60041.27674 54956.14001 46830.20509 79961.79405 58305.369 67104.20706 54855.479 62784.5415 45284.0876 95372.42487 27991.85447 50061.81256 44989.99063 42588.3719 71438.45696 65423.83775 58980.54068 52005.49182 64540.97593 64145.27677 60192.52852 62652.05525 65186.03907 65844.47137 65016.43382 61142.4246 340.2726594 330.4704904 433.6366039 301.378388 339.7801668 502.1899144 DG(38:4)>DG(18:0_20:4_0:0)_M+NH3_feature6 1923053.514 1069642.558 1943468.279 1053489.717 1213736.383 1491051.186 1747312.33 2515614.251 1221776.573 963434.9167 926641.7036 936156.0327 1093503.599 891037.8952 1059800.19 647720.6453 1171768.676 1199204.633 916052.8833 1311898.129 1899453.746 1261793.761 1057413.313 1067009.119 1463402.297 1200492.963 1554528.942 926105.2302 1286727.128 753045.2373 827021.7226 967844.1874 853951.8292 1080734.529 804361.6403 835916.1812 1096061.229 961548.8591 942973.2937 977468.4046 836652.3666 1101883.372 1006932.158 1453606.787 847146.5509 1244072.111 688227.2945 918629.5279 1051093.845 1232426.991 1193486.121 1231501.96 874876.2396 960805.4318 1088014.378 1171423.55 1138985.019 1152878.256 1167963.203 1074907.023 1146167.659 1135751.408 967.7972535 1612.016264 1603.068873 946.4370845 1615.49922 1634.624325 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 87238.09785 42037.94461 78727.14104 27922.83141 48956.04375 49410.79486 91384.30197 182318.5197 58932.77932 37285.55562 40136.17649 40633.42847 45136.06232 44381.36417 41621.82109 32505.37731 32151.12913 34569.41994 29415.30328 36998.91071 62368.37232 37939.60119 35658.06949 38985.13102 52877.67547 38634.86546 63354.61443 28454.66293 51055.00115 25437.73835 36471.62941 41966.22259 26145.23335 41115.45155 24640.03329 36840.82016 43725.36831 39362.43611 31791.65272 50634.46833 39206.20499 64026.17383 42544.41695 59598.52095 37120.14777 87222.92038 20963.34203 38205.50953 38414.74106 45066.71295 83974.1418 73602.4764 63574.43356 53257.17162 46034.55496 48687.45738 46302.49901 45707.9259 49864.39678 52378.7966 47811.84412 43846.3904 280.6122503 267.3131199 338.5545168 240.5630805 262.3649976 386.9600406 DG(36:4)>DG18:2_18:2_0:0)_feature1 250754.7742 127616.1934 175935.032 110641.0798 96507.98356 88183.94392 352816.2283 297635.9858 157836.9731 240307.9834 145828.7708 161915.098 148311.3766 189871.8816 186501.6685 102282.9903 106928.8155 104648.1317 105603.3767 104461.5258 210694.8997 108635.7359 224650.4687 355462.5392 138620.9322 122069.8095 117871.7424 152108.1446 137692.0042 94782.82878 140024.7801 201775.9584 91218.04319 447278.6983 109751.361 132889.4081 130139.3715 134281.7489 213452.9318 154446.4927 125519.5908 301223.6794 147545.1527 168932.9635 118499.9448 154018.7398 55774.60132 199917.8583 110926.4856 102340.0998 363975.708 346571.3972 234882.1477 250673.5786 169942.3695 173390.4236 146672.7246 165869.6988 150898.1165 172394.0114 172589.5303 161209.9016 668.64649 673.8499122 671.2924136 671.7428868 653.5480371 706.8226579 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 214036.7986 119395.4749 169923.877 108008.3731 70285.46741 75574.79188 299951.9156 257238.3492 165959.5017 191439.7266 117648.4948 127636.7916 159838.4166 157324.2276 161133.3342 99534.32852 84837.45342 84438.48331 74625.56988 91072.48369 175162.7362 85987.05144 172356.9078 295119.2441 121432.888 98020.18787 115545.9897 100721.093 116858.6132 67948.86949 110282.6294 161796.9728 67802.8758 312695.309 89976.00287 109028.0101 109081.9902 94998.20967 145618.2863 143228.7864 103442.7625 263986.9637 128928.4794 150352.1578 93039.72932 141395.8843 44560.09265 187239.4393 93103.51849 85295.988 193562.9918 186363.7359 184748.2278 179171.8598 138834.488 137667.1224 132412.7374 135728.732 132843.3371 140037.0999 137464.0099 135901.0708 279.89137 262.7691343 264.1833665 271.4828109 274.711999 276.2767465 DG(36:2)>DG(18:1_18:1_0:0)_M+NH3_feature3 167768.8121 112700.7352 153011.106 99739.59113 66217.85974 74361.27743 243439.6086 244076.1973 130452.7104 150871.3197 106831.0905 114132.156 160199.2466 158354.968 175166.5942 110636.7964 81256.15014 79423.93849 60962.79279 79630.20944 162667.702 43361.13256 135374.1717 220754.9724 129143.0569 78564.50549 118372.7 63592.30066 114482.3495 58930.64497 98655.9802 129255.7325 60371.88913 231636.836 83032.53338 95004.25042 88905.59809 84058.47077 105204.2563 136024.2965 114316.2152 288762.0363 130628.1574 139197.4702 102901.1989 155505.9341 31607.91242 180908.5894 94906.28305 95189.41927 141093.1918 137598.7515 128025.3011 146699.5305 115401.2793 123465.5706 121416.6985 114490.8796 123166.6296 113767.3864 117165.1804 122252.9258 329.7628612 416.3190963 414.0807404 247.0683889 421.7839046 426.8340296 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature2 68617.45267 45123.00988 65803.65372 33048.70082 32259.69375 43149.63052 69794.91101 91114.6563 52972.28305 53585.77921 55652.96299 36773.77899 57055.69065 60292.00764 58898.07801 46828.05038 44707.65718 39564.31734 27789.25193 36520.181 60469.15092 33698.03144 49045.23892 64186.20367 43599.72247 37815.50942 53821.79328 23202.12043 43022.58812 29377.27553 38071.24757 53844.59068 21127.25093 71974.94431 35736.70127 37774.51255 40865.46439 22131.53646 39556.95143 45876.10313 45174.77092 85869.16238 49284.06617 66749.78885 38090.26357 68405.43733 25519.52728 52729.45753 48132.78203 47705.708 71567.98572 75741.85661 62674.66332 69369.25972 45567.5933 47203.38969 47619.41063 46040.35788 45713.77206 49690.04878 47459.56373 44627.00599 222.9844645 255.6767551 236.2722771 239.7304652 236.8076143 282.44514 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature3 221670.1488 136899.5239 173006.3027 106430.9302 84406.71801 110907.4959 309705.0007 315498.2625 206508.6474 218344.2739 148777.9634 168864.0309 205275.5535 205070.538 181680.3491 136120.7832 114557.0377 125920.4682 117805.5151 119528.7225 225650.9243 116581.4824 181922.6077 338023.3415 164753.3212 113584.1348 148988.8382 107729.5751 144400.9853 90790.98899 142700.478 206017.6213 87537.73308 368270.707 109441.1486 130962.6637 130775.8513 128703.1228 144493.6168 162257.7091 119458.8638 329850.113 150184.2078 186895.6542 122003.7718 145450.3665 59269.58739 207440.9432 112949.8086 112677.1977 228823.4683 232892.1216 185643.9568 210207.5096 160972.196 165647.9519 162168.5757 164913.3509 153945.4475 160347.5982 157901.1203 169057.0159 266.8392867 248.4724719 251.7269565 277.0698257 266.2319484 281.4599537 DG(34:1)>DG(16:0_18:1_0:0)_M+NH3_feature2 959236.9794 770835.5857 782884.6017 753247.8852 549219.3119 724814.5086 1130576.701 1233682.949 887658.6884 849453.9355 721550.8863 790248.5094 1064065.436 1027742.455 1011672.887 840726.2431 729482.03 602042.5873 520886.1988 656557.0829 1007618.484 576329.4121 823257.0737 1068609.526 891151.8522 679507.5369 770095.5087 454704.9452 790750.0383 510744.4302 781192.2512 900714.2272 547166.4556 1095637.508 643079.706 753244.8016 677046.4344 652407.7262 730134.4117 896626.926 855948.9996 1119689.388 846533.5466 855238.5749 703855.6359 673339.0078 433240.244 922258.3202 707078.9027 613384.4789 811536.1218 828384.1198 739563.7647 830677.9433 778509.5018 794086.1712 758597.9703 768746.4009 806952.3999 727880.4678 794671.7507 785671.1964 1526.260718 2866.447932 2525.097696 1534.064684 2626.795603 2568.26435 DG(34:0)>DG(16:0_18:0_0:0)_M+NH3_feature2 650780.7708 550225.2838 653335.848 536623.6399 593762.7262 557410.399 648486.4076 615414.5537 573971.1879 585294.2736 614814.8734 568383.3402 613977.7272 581602.3281 635129.9355 630703.5539 580480.4317 634109.301 511388.8203 561923.0987 607810.1198 580719.7457 618613.1421 560004.3665 619112.1543 580471.2995 676128.6957 545522.2783 622301.425 604031.1731 575801.2725 604665.0153 556076.2364 593648.4501 597744.1106 586856.1185 571305.5388 574575.3852 559037.5103 603706.8051 593691.532 694344.6738 578442.1208 683692.2124 587031.9511 756688.0666 557541.121 573546.0359 615524.694 650001.6466 589934.7058 631621.9327 583219.8897 640530.3801 577113.1556 582124.5794 624957.7237 568535.2087 601027.6066 620610.8909 572937.1696 582141.604 5438.567076 4294.679254 4916.211014 4312.764431 3663.550314 4414.198425 DG(32:0)>DG(16:0_16:0_0:0)_M+NH3_feature2 326833.4567 277234.9487 295606.4613 280264.8366 262498.9557 285809.1609 350563.7524 376728.2354 326845.0625 295490.8926 302904.3729 354491.8989 319177.2667 334154.2977 338508.2005 312510.446 288877.8489 325168.2991 267359.9153 293579.9039 317267.8012 272968.0914 331115.6261 300417.8187 308781.4186 285491.3184 349350.4514 252438.2863 361012.4883 270609.2037 331759.8117 309344.2462 270605.6011 330338.7273 276542.1155 310845.5277 308475.6576 297228.9643 292907.1139 322712.3493 331801.3203 373605.3011 297134.6041 359817.9095 300545.5342 370795.2842 284378.9876 290638.8889 286360.5329 328013.5979 318853.7319 315398.0884 289183.0076 313920.582 298838.3655 317583.5019 298038.3432 304566.8514 326760.0081 282131.2238 314353.2757 305523.1705 1172.650284 21630.98203 19969.16479 1675.560451 20002.06527 20426.61403 Coenzyme Q9_feature1 18649201.73 18559273.74 26747864.9 18638498.05 17870842.73 21538475.5 20349679.99 18864374.15 24371411.93 17178397.42 10514779.67 12796024.36 19285297.72 10466536.06 14654954.93 20721096.94 18802158.73 9693579.237 10385660.38 12304962.62 15744863.77 20814528.88 23471876.48 16822379.51 24964103.97 24247545.94 20347255.57 11653452.04 18217783.56 13660552.52 15413029.65 16692316.17 13182160.24 15699692.27 17089474.14 17059918.47 17543951.3 17160896.1 20326621.1 24547823.74 13783581.68 11283388.81 13273805.45 11315652.15 12282386.97 15803691.62 8864962.918 13300699.57 15525994.53 13190864.35 8595878.061 8074018.965 12287852.08 12064492.48 15730317.53 16695509.57 16414053.17 16449736.57 15388719.03 16640782.37 16315537.54 16112857.57 1807.111356 1888.062368 2084.388262 1703.959311 1825.943888 2089.952366 Coenzyme Q10_feature1 933890.4646 743157.0473 1253418.962 804661.2007 746073.6573 953855.5359 1162171.804 823135.35 1195171.016 800262.346 536919.3467 609828.6106 762606.2915 439366.9949 681912.3929 775075.8082 775957.1821 403743.7681 486345.1528 496320.5332 623709.1562 889326.1885 1164375.494 809304.1823 1124629.032 941063.9138 944865.3774 580495.0567 712274.1357 555387.5932 718226.7635 718324.1715 548748.1166 708587.1153 752315.1358 743277.1812 742128.0146 719660.3771 1048479.015 1032992.711 601947.1436 539680.0971 545644.3232 421682.0099 475357.7344 699027.5389 409078.0598 656433.2469 647004.3002 615840.4121 353150.9495 367931.6823 594711.4952 591063.3678 698642.615 710880.8684 736089.4284 711867.7829 738507.2352 700454.9868 702175.6003 718593.5151 912.9329934 935.7601569 969.7023659 863.7092428 846.6741964 919.531083 cholesterol M - H2O_feature1 538070.8353 919950.0481 665488.1164 608984.8334 877631.3038 921437.0191 611018.4697 673448.1735 670032.0786 591952.0241 698488.4794 695499.5038 540236.9754 911738.7406 755695.797 518105.2467 801549.8991 644752.054 759393.6166 443364.3593 777170.9121 514401.7176 572706.265 662550.5762 632929.0718 624963.4353 688570.2744 559703.1307 516033.564 822489.8423 706949.6327 799673.8768 575232.5169 829550.5759 660415.5116 649282.8752 532391.0812 570207.7736 616729.8615 672822.3084 602652.4624 549110.4794 791450.1827 594269.0818 541699.2476 743518.3252 396036.5423 624821.7567 624191.5464 823237.6022 592673.6307 635670.9489 479773.2473 738504.0521 529917.028 650938.7741 829766.1794 647339.5085 544170.7228 723916.016 570420.4062 655694.6934 596.3787231 543.6790348 628.9760611 618.2022825 599.4352199 661.7033022 Cer(d43:1)>Cer(d18:1/25:0)_feature1and2 170747.0028 151029.1397 174528.8235 157828.1117 161354.2223 224893.9503 186589.766 197285.2356 179581.8094 111548.6254 54142.37517 56720.20572 67250.39371 51320.06172 82585.93759 87579.62825 86891.29808 50643.18288 48570.84272 79680.63029 183977.5032 170244.5881 228049.8579 132983.9556 195650.3229 89230.76596 78014.2968 38028.58027 97687.16951 56874.46861 140909.0301 186417.8341 103717.2552 133020.301 127906.646 164092.1515 164987.2538 126429.4005 145586.1655 189602.861 75565.04515 73315.40178 85820.66074 112756.5894 63533.75228 129441.4557 49503.79199 73029.48416 107166.5309 77924.46423 94189.31066 92671.56233 116884.3616 109532.0658 117509.0905 124789.6231 126725.9294 120627.7752 114392.3032 120059.7089 122838.6066 123052.3379 832.5684438 890.6158983 1058.085541 826.8950852 925.1162879 1111.048855 Cer(d42:3)>Cer(d18:1/24:2)_and_Cer(d18:2/24:1)_feature2 119605.2177 102214.9955 110603.8604 93557.53427 92505.06551 115357.1136 102528.8914 130278.437 97800.98195 79711.51193 76824.28288 105702.9824 111919.3874 95855.50988 102272.2089 83064.54753 79432.23373 89007.14189 69618.93981 77851.99212 132250.9898 106104.1421 83217.98923 87446.63892 124624.0307 100356.792 115776.4237 54541.03464 105781.2068 80759.76793 72496.66702 78696.4853 72790.02871 90358.05004 80936.05666 81260.89285 99377.12229 72371.85237 66279.60194 128576.6064 91292.89441 89057.55957 90881.14731 90805.54493 92942.27399 142718.4891 63101.96281 99572.26396 100441.1674 91693.19703 78436.31228 70724.5773 80949.99937 74762.84576 97647.99054 107249.0996 96029.76652 95975.11583 90488.58678 98248.54219 102585.3074 100491.0617 780.5421959 796.3542437 1176.997536 724.0283421 817.6171263 1384.909022 Cer(d42:2)>Cer(d18:1/24:1)_feature3 589631.6954 497449.4886 584236.4186 476276.0194 483056.8546 597192.245 501050.6025 563237.8057 529632.5609 354609.0148 375503.7087 511838.3714 571836.0755 400351.887 517062.5106 466026.2967 392985.2275 377296.729 363825.9201 421641.1051 643193.7927 521123.8727 461913.1063 411468.7752 596438.4081 572440.8369 512001.6693 317411.1602 507101.7726 367949.5137 392172.7484 447891.0927 334067.9891 385588.6399 394174.395 412913.7283 445164.9702 342086.1578 347654.8656 582961.6253 444093.7992 368560.703 478759.8247 542657.6748 446557.0254 706140.2139 316309.4066 463548.4387 492914.0734 460674.5933 294933.9279 298543.5841 330614.3729 333839.8569 452890.8043 435909.9092 458434.6979 440033.855 463059.7679 449492.5868 458168.8381 437599.0496 1508.975173 2737.251322 3162.165992 978.8028235 2369.164077 2732.301355 Cer(d42:1)>Cer(d18:1/24:0)_feature3 1438350.337 1456521.379 1568892.088 1211869.399 1104164.507 1753406.401 1365136.176 1595795.81 1432687.797 978800.5617 849651.0005 973789.6833 1396375.662 834710.6116 1200612.42 1147326.361 1189100.883 820570.9819 740005.0081 1161345.02 1509381.692 1398984.054 1221970.212 1022785.232 1729556.145 1265227.661 1479326.066 682497.6882 1324561.824 932585.6931 1055321.641 1267624.27 801448.6029 1092199.764 993782.5237 1244722.431 1208205.884 1008360.189 1116195.499 1697668.783 1129201.209 877438.6537 1156990.189 1399887.3 981652.8958 1599379.843 710073.6097 1035698.15 1411905.921 1252313.65 526314.7993 585511.7703 722934.9679 829754.5483 1107986.853 1159884.539 1143311.429 1048346.267 1032186.482 1166825.375 1122555.917 1131340.191 1211.976467 2837.275976 3454.884689 1434.662187 1459.611858 4173.364043 Cer(d41:1)>Cer(d18:1/23:0)_feature1 323235.5648 275511.3731 337366.333 261289.4378 237161.6277 346975.5802 274594.6065 285697.7286 282767.7425 193025.4519 214949.07 280304.5125 337301.9409 221550.3989 306486.1326 288381.3682 290564.4668 215287.4301 272261.7643 337512.6265 301674.6502 260983.6346 244560.2068 211050.5729 321141.719 346486.4175 346034.1889 198169.743 360748.3825 262932.7094 198376.2793 254884.9233 178706.412 208041.6615 193153.373 245038.668 244669.2882 200121.8458 224236.8079 291273.1328 285438.915 225207.9895 310035.8725 363031.8569 233900.433 357192.346 218970.6235 302365.0557 338312.8513 286285.1265 146306.0203 149872.038 194464.3681 211120.8074 263702.8149 268654.3712 277260.3441 255630.031 275313.1334 283916.7271 267740.913 259434.6725 709.9466444 5197.996309 8718.047739 745.6779886 8552.140323 9625.575677 Cer(d40:1)>Cer(d18:1/22:0)_feature2 1104983.405 1518495.869 1085656.968 592971.2175 860245.1744 636887.7005 917134.212 699438.9642 1339745.685 471804.1368 1616744.87 843388.4889 1263635.692 825097.6854 896143.7442 1177149.905 717588.7924 556583.8518 845343.9504 828509.5431 849716.0441 940612.665 1702273.631 1045436.389 1026356.393 1388467.633 1597229.215 1736782.057 1453170.813 727846.9576 982966.8212 1344093.705 333428.2718 645083.5626 729410.057 1091209.482 723377.8464 809251.4885 745886.9711 546575.4724 485827.9591 1712614.213 454856.2426 1403230.357 650077.3573 557730.7154 675098.2193 478350.8491 795993.8626 1310633.385 94113.5829 147494.008 117967.6449 189130.0963 1097185.146 958301.0469 930063.7575 857833.6996 865881.2657 947289.151 974865.1439 1123635.009 1377.851323 1214.579021 1709.551293 1235.295179 1587.622359 2267.871573 Cer(d36:1)>Cer(d18:1/18:0)_feature1 6086825.011 5761007.898 4631732.462 4022663.645 3599648.962 5372285.483 4881525.323 6394636.046 6766292.699 4112091.707 5146919.495 5237005.962 5762307.947 5316014.642 5568257.027 5232394.211 4268939.917 4339440.582 4651624.614 4004335.809 6370307.259 4251649.358 5008399.378 4537112.686 6336259.197 5066780.839 5975822.481 4175441.716 6035337.832 4086494.27 3908614.617 5078510.886 3293782.698 4256458.517 3647905.868 4744578.045 4403960.547 3666294.158 3716095.359 5492699.985 4685820.135 4895417.717 4681335.132 5375399.834 4900310.516 4825389.816 3375569.822 4231421.013 4994904.556 5054846.321 3585950.585 3516726.986 4027847.687 3950393.306 5123893.687 4849155.243 4924057.709 4905746.87 4787501.225 4927610.34 4878456.562 5095865.669 1787.273518 3237.037293 1721.110374 2407.982429 3090.478277 12590.43634 Cer(d34:1)>Cer(d18:1/16:0)_feature1 103911.5957 94856.6966 83505.02047 54775.97872 64519.79873 53660.80192 70557.14491 138677.5833 99345.66633 77327.99332 93643.65293 88184.66551 55920.60417 98007.09322 87854.80654 84027.07333 64965.98746 85605.10299 73909.4504 51700.35027 120582.6055 76785.11916 73365.1156 73413.91109 100399.5435 72428.19169 87931.72367 39544.13231 93871.08581 90337.53041 63698.46236 92754.86837 69131.89912 80394.12068 76412.62399 91272.13555 69128.60585 89312.97649 59869.15738 106999.8134 76351.25636 108435.79 81061.78527 108662.3714 103144.7504 94024.00398 47071.89671 108153.0157 89991.65798 86090.30775 93203.41362 93144.77661 75983.04938 77640.0857 86301.90773 91664.00496 77556.66646 82234.53045 98626.11503 78133.90011 89068.20826 85578.15614 603.785037 544.6383309 609.1093633 646.4562074 537.2940753 616.7454342 carnitine_feature1 224209476.5 222890167.5 214450882.9 221148151.7 186774076.4 258994696.2 219096659.1 280977943.9 246454588.1 180882354.1 149864748.2 179986681.6 182312224.6 148366205.3 186990237.6 210087483.9 208682403.3 153259872.9 125984036.6 167952744.5 223389789.8 197561093.6 179520080.8 156842181 233052552.9 178193796.6 187872201.4 111421701.3 203069194.1 151447910.7 156945092.1 211417084.6 172624186.8 211542772.2 165926295.3 200930508.9 217449184.3 169791734.3 183923964.1 271779076.6 193204505.1 171894975.3 192296667 187892718.4 181071408.8 192703601.1 142963924.7 162822143.3 196141473.9 201216680.3 132944639.6 147441412.5 175025070 178422987.4 190689226.1 193572410 193298090.6 195886785.5 199987326.3 205396816.5 188710104.1 188554379.3 24987.01004 9461.559128 32819.15373 31351.19892 41199.00443 25008.96573 Car(4:0-OH)_feature1 1021467.164 500504.4723 374738.5563 395113.29 317949.893 258796.9103 640692.3029 431954.221 410905.1626 205137.6022 417742.441 547414.9374 675716.1307 761005.1029 1190440.897 286969.4144 285081.6538 153201.6662 433182.6202 393549.582 246051.8823 240868.4888 534641.9197 362620.4062 324153.3966 318131.7156 367183.0972 110332.1965 299009.9363 412493.5253 481726.0869 601012.081 257373.3634 354003.5171 406961.105 528855.3275 399300.8062 419209.2056 312890.0469 475190.7411 545830.0319 363610.3563 788645.3816 651239.0275 330425.5437 593952.4272 420463.7419 864550.9042 787619.6375 589638.8845 2505553.177 2502581.291 672780.7696 753438.9989 452594.5606 496777.805 409247.8042 455708.4245 478696.3019 434278.9188 501473.5168 436401.213 882.6600692 2258.242035 2219.174433 969.5795029 2249.026212 2233.376119 Car(4:0)_feature1 143740.6279 105882.8216 80268.39959 123742.8791 84353.13197 114849.2719 135216.6948 188669.9497 222581.8931 129467.8665 106140.2358 237615.0098 113208.8153 227471.6978 161270.1935 114231.3888 111563.3248 115718.6327 127459.096 107077.6921 105375.2137 104884.3152 127906.3996 83736.98229 122038.4126 95081.95897 140577.7291 61811.2535 212133.3763 143980.7774 145687.6801 147933.4333 150607.5205 124642.6468 130754.781 198570.6821 187732.8796 146419.3568 74594.31791 192773.4656 192296.83 229889.3773 164438.2335 154834.2023 133749.8793 215962.3166 110781.2718 189026.4083 129646.498 169666.0877 1390463.43 1041829.944 317588.6539 235039.3943 134631.9261 138543.7845 141539.188 131223.5556 137309.4585 145562.6891 130147.8872 138497.7342 2549.927423 5344.256186 2278.950789 1236.637656 1652.06156 1633.635533 Car(3:0)_feature1 210405.846 159085.9264 208529.0682 146443.2018 153610.5782 228600.88 223221.4847 227659.9828 260971.8606 160962.7429 254391.5699 267432.7188 289417.2222 228568.2429 291228.0057 382820.4511 195287.4126 161709.4443 190335.1507 320826.3146 112435.597 151530.2731 191884.5218 138766.4806 166178.7091 192229.3609 195285.0007 94047.56446 276234.1106 299350.1332 182212.9127 201016.1017 147881.3504 166072.6831 148022.9521 162192.0916 176307.3132 118488.0474 190767.8283 167137.8153 230287.5814 140873.3211 244898.8583 404873.0559 211732.4292 359226.7682 125008.7403 287485.8517 172127.7736 266898.6283 782262.5186 765297.5491 359622.3266 346328.1247 219828.6712 205512.8774 205880.6541 211734.0237 215073.5076 216845.0971 205387.0516 213883.8334 1891.119481 2041.282498 3540.07867 153.6405786 2436.75188 2013.619673 Car(20:4)_feature1 71118.4246 21560.51009 54494.23787 18638.17077 29272.81218 19915.62426 76194.84256 74228.35696 73646.47647 41725.80514 22859.70619 49200.93795 69064.80024 62178.36712 70732.85462 24410.33432 22394.44833 18974.59346 18726.92198 22600.58252 17729.4185 26672.80449 82027.35344 35225.1917 76910.94186 75249.84799 74524.17552 85974.29786 104855.4211 81127.58011 81018.47575 83529.46622 30612.78819 30606.23974 49794.94435 56750.68634 68164.03959 38532.51225 124486.893 68181.98805 86651.84978 53602.3454 66121.74262 49909.44853 61605.51304 256709.4332 43940.82166 47380.04421 40456.50352 32564.40277 389189.6258 347628.5632 175546.9034 174784.2016 69439.67335 52501.12674 42309.4476 65099.42352 56914.79359 55315.60958 51744.27848 64725.5415 91.59849106 1780.333756 1838.136829 143.7957073 1684.308216 1980.855291 Car(2:0)_feature1 37019474.92 12860374.44 12290573.59 14090724.27 13652122.33 27850072.86 13522655.55 14124117.47 17368459.36 9819611.894 13736438.6 13562905.18 18018869.62 23098745.43 27199214.62 29599796.18 14899611.07 18584824.23 13173196.13 18984082.13 12414531.06 14197006.3 16125355.03 9689567.372 10612377.25 6133230.063 14248054.46 6153643.328 11319232.15 25226990.38 11427713 15274881.49 8647522.204 9233513.719 12309818.95 14535804.81 13772652.09 11381659.48 9167627.108 12476943.15 19298355.01 15784731.47 16462784.78 24955242.43 10364461.13 24284495.58 13118929.14 19236847.1 19877543.67 19153057.87 69891317.44 70005008.19 28712124.37 28372722.21 15649041.84 16286668.67 15614527.72 16143167.39 16167052.89 16475834.24 15578836.19 15812745.62 8037.746413 9856.338696 16204.19601 4749.965549 9880.704903 8965.449551 Car(18:2)_feature1 375442.7184 90966.83801 331974.0238 122479.5859 109064.7282 105236.8855 697436.9844 517911.1692 321638.949 221335.042 91629.7159 178020.6889 443659.0348 282861.0615 310164.8043 170793.5444 85508.86818 68334.40121 70975.60048 62519.49163 121560.519 129925.7512 426886.9688 198470.9351 343811.169 354616.1302 273727.8507 508832.9632 362514.4494 304762.2642 381804.8701 345010.4693 134482.1192 157670.3049 170254.2295 265586.3166 360369.1884 181584.2243 729068.5411 425452.7901 389657.2089 155316.5502 272049.1231 101106.45 247468.1297 529150.3441 80681.39939 251413.7607 161061.5885 88185.13524 1428136.316 1211540.474 615587.8906 599962.5487 280249.4216 237013.5382 261010.0081 267963.7572 272488.0008 244892.8169 275710.426 257089.5775 130.1684482 3247.166454 2778.267646 139.6165507 2453.361387 2224.268978 Car(18:1)_feature1 790530.1132 382996.1185 585688.7595 252688.5918 298736.9758 210280.3695 959101.4042 1099983.4 625270.894 424403.1486 231992.5379 364319.4061 794841.8939 569332.8437 617288.154 298464.5817 218258.1323 162708.3882 147952.6267 161266.4549 348223.2507 230688.3822 756671.3393 415267.2137 710199.0512 665924.1059 501384.6771 674844.3329 668173.7869 421357.8665 656683.9486 692900.9226 267925.7711 328118.4231 463250.8606 479453.6994 580169.1565 365114.1796 1076209.18 747953.2527 898244.798 391973.8122 495356.5269 289172.3191 467108.879 966075.8047 185619.8111 473749.3423 341232.176 228769.8603 1877712.33 1855287.312 1072897.416 1056926.319 506295.9274 499936.3293 485001.9386 493091.5002 484367.0698 510853.3637 492535.9146 500862.5323 162.5867085 1074.53878 1032.595229 227.3184081 1683.084231 1204.404444 Car(18:0)_feature1 264858.8409 115454.104 169563.3221 98900.11259 108007.0357 118144.1046 153026.85 186246.4494 216636.6856 115634.7551 69293.18302 126877.9895 288788.856 217112.2144 203959.3807 139783.8194 92487.87032 71375.51625 75127.99606 100050.0731 157472.7992 108770.9884 249115.2155 142897.9891 205159.9759 231842.9492 209298.7017 181651.2308 269889.7091 226186.1691 162335.5805 202168.5865 77243.80818 98348.52725 115994.6501 141514.6842 170815.8129 106184.1254 309199.1044 176368.2675 319171.8917 179087.0237 176363.7996 119263.2127 142430.0161 309135.1048 95822.96225 183817.3296 160539.7316 110483.3403 912426.6218 836231.2372 455953.2905 434720.5242 168994.449 162092.8176 159577.705 157499.6862 165223.7612 163084.7228 156086.6191 169709.1008 483.4748012 13734.79259 12537.98918 15547.50708 1677.433384 1833.300859 Car(16:0)_feature1 772685.8193 315745.8796 474495.6478 275326.1768 306795.1153 293104.995 730940.4848 746062.8663 655028.912 438287.9181 242682.5772 386413.0182 880577.4321 689997.8421 573300.4604 390705.5123 254576.738 216691.1808 202515.8457 217659.1725 357455.9703 301978.4636 696938.5845 430397.1025 726774.3568 644726.6651 569107.26 512051.3198 692506.104 545936.1273 718499.4783 699410.6779 299480.9701 377656.6707 464918.3459 523350.5559 523907.8137 381160.0642 983407.3219 683227.1811 1099511.786 465561.4318 527191.1173 330572.0455 509767.9279 955933.1064 229221.423 460180.1159 351751.682 281163.6496 1758360.363 1694490.979 1210168.524 1146090.853 525907.5617 505258.1169 474897.9573 496197.7718 501823.0824 498055.9114 509114.9059 509939.6965 161.4211188 1311.885595 1226.903393 171.6407821 1292.584222 1218.02675 Car(14:0)_feature1 108167.6481 29257.63915 46954.0004 28599.2212 34481.27429 45921.05801 72351.69988 81432.17856 73349.80268 46517.17002 38068.07288 70367.60811 269085.1786 131790.959 66419.39988 66404.70776 51523.93408 37360.61742 35520.11904 36812.34695 44232.5007 36942.82655 120199.9352 48556.73225 91648.13663 133751.3003 107273.9854 92592.61074 137212.1523 222634.3738 145692.0114 130142.6868 28862.82562 49601.82545 49354.41009 66915.61187 73479.35924 48468.92629 221745.2792 83200.81057 373232.5938 82398.12281 80298.64841 69999.59706 109328.172 218489.9764 52202.81601 73418.30332 72022.9174 48817.09718 554348.0077 657257.6329 330723.1581 375648.9417 96669.23317 89667.75586 79768.01832 94238.59887 81006.67815 95242.36273 89139.50584 92453.9282 863.8183743 1268.843886 1213.881868 148.7146598 1617.89477 1570.551835 3-(1-pyrazolyl)-alanine_feature1 230215.0282 168273.7042 248674.1049 203369.3172 217490.5883 298251.0098 317223.1658 290983.0709 234080.0984 206591.1046 181042.276 185555.6116 282387.6064 203779.5826 216386.4417 199776.1349 296245.4353 224419.2579 145922.1812 154993.6629 89063.73019 139116.6732 141166.5271 80171.34215 121804.8288 124965.6675 213160.5806 47520.49316 292607.4453 155085.3904 168119.9119 282039.8113 202459.9878 281436.1893 167681.7891 180878.1166 249900.7395 104664.7429 184807.4198 183578.7833 246777.6874 206972.9633 369450.2817 220781.5704 258581.7057 213488.3948 152059.2076 180517.7574 199330.5627 192293.0682 138065.6119 173090.366 177442.708 161922.7581 172431.5686 193809.3512 233926.4291 231120.4595 231603.0433 159035.1221 268082.8277 154443.2668 941.7414976 2817.767523 2819.052232 2763.002508 2817.017034 2411.933999 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH) 29525.36983 9327.564961 51349.34289 10085.39125 20846.94309 15501.1913 43981.02058 32356.27707 32723.09295 13841.03626 35730.35164 49624.11018 18307.87111 40807.5549 33209.69065 32628.03988 19849.43918 66536.53006 28816.92485 28385.74899 23924.18907 33991.373 48998.35312 14707.45185 40219.34998 40786.32865 136982.2789 54679.59024 67026.32892 33647.55095 22916.871 11037.19441 37471.58363 14613.22751 24229.19852 33332.15706 60533.48398 14868.55565 30032.0448 13585.90637 20952.93738 86159.62474 18933.6331 68298.9442 44882.67187 326807.4009 69156.54792 28988.08132 37439.52555 138682.603 26358.4745 20870.79353 51613.41191 41605.55875 51440.40167 43783.30258 38576.17877 52603.11026 46327.53777 40050.92294 47919.69681 47492.04876 713.9990844 729.9096223 1074.016755 513.9798568 583.4972796 985.5315888 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)_M+NH3_feature1 C51 H92 D7 N O6 829.7976166 828.79034 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_[iSTD] 8.748 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_feature1 C41 H72 D9 N2 O6 P 738.6457566 737.63848 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[iSTD] 4.306 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_feature1 C39 H67 D7 N O10 P 755.5545766 754.5473 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_[iSTD] 4.225 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_feature1 C42 H75 D7 N O13 P 847.6019966 846.59472 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_[iSTD] 4.148 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 C39 H68 D7 O10 P 742.5599666 741.55269 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[iSTD] 4.318 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_feature1 C38 H67 D7 N O8 P 711.5659966 710.55872 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[iSTD] 4.91 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 487.3519466 486.34467 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] 2.131 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_feature1 C41 H73 D7 N O8 P 753.6129566 752.60568 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[iSTD] 4.664 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7)) M+ H2CO2_feature1 C26 H45 D7 N O7 P 529.3989666 528.39169 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] 2.088 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_feature1 C36 H61 D7 O5 605.5842666 604.57699 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(9z,d7)/0:0)_[iSTD] 6.389 GTInternalStandard_CE(18:1(9z,d7))_feature1 C45 H71 D7 O2 658.6507766 657.6435 GTInternalStandard_CE(18:1(9z,d7))_[iSTD] 9.708 GTInternalStandard_cholesterol(d7)_M-H2O_feature1 C27 H37 D7 376.3947866 375.38751 GTInternalStandard_cholesterol(d7)_[iSTD] 4.73 Ubiquinol Q9_feature1 C54 H84 O4 797.6439966 796.63672 Ubiquinol Q9 7.178 Ubiquinol Q10_M+NH3_feature1 C59 H95 N O4 882.7321566 881.72488 Ubiquinol Q10 7.621 TG(60:4)_M+NH3_feature1 C63 H117 N O6 984.8943966 983.88712 TG(60:4)_lp_a 9.624 TG(60:3)_M+NH3_feature2 C63 H119 N O6 986.9089766 985.9017 TG(60:3)_lp_b 9.781 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 C63 H105 N O6 972.7999966 971.79272 TG(60:10)_lp_c 8.164 TG(58:9)_M+NH3_feature3 C61 H103 N O6 946.7845766 945.7773 TG(58:9)_lp_c 8.142 TG(58:9)_M+NH3_feature2 C61 H103 N O6 946.7846066 945.77733 TG(58:9)_lp_b 7.98 TG(58:8)>TG(18:0_20:4_20:4)_and_TG(18:0_18:2_22:6)_M+NH3_feature6 C61 H105 N O6 948.8001666 947.79289 TG(58:8)_lp_f 8.566 TG(58:8)_M+NH3_feature5 C61 H105 N O6 948.7996966 947.79242 TG(58:8)_lp_e 8.468 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature4 C61 H105 N O6 948.7997566 947.79248 TG(58:8)_lp_d 8.287 TG(58:8)_M+NH3_feature1 C61 H105 N O6 948.8003266 947.79305 TG(58:8)_lp_a 7.982 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 C61 H107 N O6 950.8155766 949.8083 TG(58:7)_lp_c 8.588 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 C61 H107 N O6 950.8156766 949.8084 TG(58:7)_lp_e 8.925 TG(58:6)>TG(18:0_18:0_22:6)_M+NH3_feature7 C61 H109 N O6 952.8312366 951.82396 TG(58:6)_lp_g 9.358 TG(58:6)_M+NH3_feature6 C61 H109 N O6 952.8311866 951.82391 TG(58:6)_lp_f 9.082 TG(58:6)_M+NH3_feature1 C61 H109 N O6 952.8222366 951.81496 TG(58:6)_lp_a 8.564 TG(58:6)_M+NH3_feature3 C61 H109 N O6 952.8324366 951.82516 TG(58:6)_lp_c 8.512 TG(58:6)_M+NH3_feature5 C61 H109 N O6 952.8310566 951.82378 TG(58:6)_lp_e 8.939 TG(58:5)_M+NH3_feature6 C61 H111 N O6 954.8475966 953.84032 TG(58:5)_lp_f 9.437 TG(58:5)_M+NH3_feature4 C61 H111 N O6 954.8473166 953.84004 TG(58:5)_lp_d 9.106 TG(58:5)_M+NH3_feature5 C61 H111 N O6 954.8472866 953.84001 TG(58:5)_lp_e 9.355 TG(58:4)_M+NH3_feature5 C61 H113 N O6 956.8625066 955.85523 TG(58:4)_lp_e 9.461 TG(58:4)_M+NH3_feature2 C61 H113 N O6 956.8625066 955.85523 TG(58:4)_lp_b 9.19 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature2 C61 H115 N O6 958.8775566 957.87028 TG(58:3)_lp_b 9.63 TG(58:2)_M+NH3_feature2 C61 H117 N O6 960.8933066 959.88603 TG(58:2)_lp_b 9.77 TG(58:2)_M+NH3_feature1 C61 H117 N O6 960.8933066 959.88603 TG(58:2)_lp_a 9.62 TG(58:10)_M+NH3_feature3 C61 H101 N O6 944.7692666 943.76199 TG(58:10)_lp_c 8.029 TG(58:10)_M+NH3_feature2 C61 H101 N O6 944.7693266 943.76205 TG(58:10)_lp_b 7.839 TG(58:1)>TG(16:0_18:1_24:0)_and_TG(16:0_16:0_26:1)_and_TG(18:0_18:1_22:0)_M+NH3_feature1 C61 H119 N O6 962.9098966 961.90262 TG(58:1)_lp_a 9.963 TG(57:3)_M+NH3_feature2 C60 H113 N O6 944.8618166 943.85454 TG(57:3)_lp_b 9.546 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature2 C59 H101 N O6 920.7693466 919.76207 TG(18:2_18:2_20:4)_lp_b 7.981 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature4 C59 H101 N O6 920.7692966 919.76202 TG(16:0_18:2_22:6)_lp_d 8.157 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 C59 H103 N O6 922.7848366 921.77756 TG(16:0_18:1_22:6)_lp_f 8.493 TG(56:7)_M+NH3_feature2 C59 H103 N O6 922.7756466 921.76837 TG(56:7)_lp_b 7.981 TG(56:7)_M+NH3_feature1 C59 H103 N O6 922.7756966 921.76842 TG(56:7)_lp_a 8.137 TG(56:7)_M+NH3_feature5 C59 H103 N O6 922.7849266 921.77765 TG(56:7)_lp_e 8.295 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 924.8008266 923.79355 TG(56:6)_lp_c 8.641 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 924.8004866 923.79321 TG(56:6)_lp_d 8.757 TG(56:6)>TG(18:0_16:0_22:6)_M+NH3_feature5 C59 H105 N O6 924.8007366 923.79346 TG(56:6)_lp_e 8.961 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature3 C59 H107 N O6 926.8151666 925.80789 TG(16:0_18:1_22:4)_lp_c 8.832 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 C59 H107 N O6 926.8154066 925.80813 TG(16:0_18:1_22:4)_lp_e 9.117 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature1 C59 H107 N O6 926.8150266 925.80775 TG(16:0_18:1_22:4)_lp_a 8.423 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 928.8311166 927.82384 TG(56:4)_lp_b 8.907 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature3 C59 H109 N O6 928.8223266 927.81505 TG(56:4)_lp_c 9.105 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 928.8307166 927.82344 TG(56:4)_lp_d 9.193 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature1 C59 H109 N O6 928.8305066 927.82323 TG(56:4)_lp_a 8.774 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature6 C59 H109 N O6 928.8310566 927.82378 TG(56:4)_lp_f 9.443 TG(56:3)>TG(18:1_18:1_20:1)_and_TG(18:1_18:2_20:0)_and_TG(18:0_18:2_20:1)_and_TG(16:0_18:1_22:2)_M+NH3_feature2 C59 H111 N O6 930.8465666 929.83929 TG(56:3)_lp_b 9.256 TG(56:3)>TG(18:1_18:1_20:1)_and_TG(18:1_18:2_20:0)_and_TG(18:0_18:2_20:1)_and_TG(16:0_18:1_22:2)_M+NH3_feature3 C59 H111 N O6 930.8469466 929.83967 TG(56:3)_lp_c 9.456 TG(56:3)>TG(18:1_18:1_20:1)_M+NH3_feature3 C59 H111 N O6 930.8376366 929.83036 TG(18:1_18:1_20:1)_lp_c 9.381 TG(56:2)_M+NH3_feature2 C59 H113 N O6 932.8615166 931.85424 TG(56:2)_lp_b 9.462 TG(56:2)_M+NH3_feature3 C59 H113 N O6 932.8619366 931.85466 TG(56:2)_lp_c 9.622 TG(56:1)_M+NH3_feature2 C59 H115 N O6 934.8782866 933.87101 TG(56:1)_lp_b 9.793 TG(56:1)_M+NH3_feature1 C59 H115 N O6 934.8783266 933.87105 TG(56:1)_lp_a 9.64 TG(55:6)_M+NH3_feature2 C58 H103 N O6 910.7835866 909.77631 TG(55:6)_lp_b 8.462 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature3 C58 H105 N O6 912.8004266 911.79315 TG(55:5)_lp_c 8.777 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 912.8006866 911.79341 TG(55:5)_lp_b 8.637 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 914.8163466 913.80907 TG(55:4)_lp_b 8.992 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 916.8310766 915.8238 TG(55:3)_lp_c 9.362 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature2 C58 H111 N O6 918.8463266 917.83905 TG(18:1_18:1_19:0)_lp_b 9.545 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature1 C58 H111 N O6 918.8368466 917.82957 TG(18:1_18:1_19:0)_lp_a 9.322 TG(54:8)_M+NH3_feature1 C57 H97 N O6 892.7382766 891.731 TG(54:8)_lp_a 7.659 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 C57 H98 O6 879.7431266 878.73585 TG(54:6)_lp_d 8.104 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 896.7594666 895.75219 TG(54:6)_lp_a 7.842 TG(54:6)>TG(18:2/18:2/18:2)_M+NH3_feature3 C57 H101 N O6 896.7597266 895.75245 TG(18:2_18:2_18:2)_lp_c 8.025 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 C57 H101 N O6 896.7696566 895.76238 TG(16:0_18:2_20:4)_lp_e 8.305 TG(54:6)>TG(16:0_16:0_22:6)_M+NH3_feature6 C57 H101 N O6 896.7696266 895.76235 TG(54:6)_lp_f 8.515 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 H100 O6 881.7581766 880.7509 TG(54:5)_lp_e 8.658 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature1 C57 H103 N O6 898.7860666 897.77879 TG(18:1_18:2_18:2)_lp_a 8.165 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 C57 H103 N O6 898.7848466 897.77757 TG(18:1_18:2_18:2)_lp_d 8.428 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature4 C57 H105 N O6 900.7924066 899.78513 TG(54:4)_lp_d 8.66 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature3 C57 H105 N O6 900.8016966 899.79442 TG(54:4)_lp_c 8.492 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature4 C57 H105 N O6 883.7738866 882.76661 TG(18:1_18:1_18:2)_lp_d 8.78 TG(54:4)_M+NH3_feature6 C57 H105 N O6 900.8004666 899.79319 TG(54:4)_lp_f 9.135 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_feature7 C57 H107 N O6 902.8185766 901.8113 TG(54:3)_lp_g 8.958 TG(54:3)>TG(18:0_18:1_18:2)_and_TG(18:1/18:1/18:1)_and_TG(16:0_18:2_20:1)_feature9 C57 H104 O6 885.7896566 884.78238 TG(54:3)_lp_i 9.249 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature3 C57 H106 O6 887.8058166 886.79854 TG(54:2)_lp_c 9.465 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature1 C57 H109 N O6 904.8240466 903.81677 TG(54:2)_lp_a 8.813 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature2 C57 H109 N O6 904.8297166 903.82244 TG(54:2)_lp_b 9.169 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH10_feature3 C57 H111 N O6 906.8437766 905.8365 TG(54:1)_lp_c 9.638 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 882.7540166 881.74674 TG(53:6)_lp_b 8.107 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature2 C56 H101 N O6 884.7693566 883.76208 TG(17:1_18:2_18:2)_lp_b 8.449 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature1 C56 H101 N O6 884.7694366 883.76216 TG(17:1_18:2_18:2)_lp_a 8.247 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 886.7851766 885.7779 TG(53:4)_lp_b 8.602 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 888.8010066 887.79373 TG(53:3)_lp_a 8.602 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 888.8010666 887.79379 TG(53:3)_lp_d 8.937 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature5 C56 H105 N O6 888.8010566 887.79378 TG(53:3)_lp_e 9.028 TG(53:2)_M+NH3_feature4 C56 H107 N O6 890.8166366 889.80936 TG(53:2)_lp_d 9.361 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 892.8322166 891.82494 TG(53:1)_lp_d 9.558 TG(52:7)_M+NH3_feature2 C55 H95 N O6 866.7225166 865.71524 TG(52:7)_lp_b 7.664 TG(52:6)>TG(16:1_18:2_18:3)_and_TG(52:6)>TG(16:2_18:2_18:2)_M+NH3_feature4 C55 H97 N O6 868.7383166 867.73104 TG(52:6)_lp_d 7.919 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature3 C55 H99 N O6 870.7540066 869.74673 TG(16:1_18:2_18:2)_lp_c 8.058 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature4 C55 H99 N O6 870.7540366 869.74676 TG(16:1_18:2_18:2)_lp_d 8.16 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 872.7696866 871.76241 TG(52:4)_lp_f 8.684 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature3 C55 H103 N O6 874.7754866 873.76821 TG(52:3)_lp_c 8.665 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature4 C55 H103 N O6 874.7852966 873.77802 TG(16:0_18:1_18:2)_lp_d 8.809 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature5 C55 H102 O6 859.7743566 858.76708 TG(52:2)_lp_e 9.182 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_M+NH3_feature3 C55 H104 O6 861.7904066 860.78313 TG(52:1)_lp_c 9.479 TG(52:1)_M+NH3_feature2 C55 H107 N O6 878.8076966 877.80042 TG(52:1)_lp_b 9.279 TG(52:1)_M+NH3_feature1 C55 H107 N O6 878.8185666 877.81129 TG(52:1)_lp_a 8.781 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 C55 H109 N O6 880.8324166 879.82514 TG(16:0_16:0_20:0)_lp_c 9.657 TG(52:0)_M+NH3_feature1 C55 H109 N O6 880.8229966 879.81572 TG(52:0)_lp_a 9.219 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 858.7538566 857.74658 TG(51:4) 8.253 TG(51:3)>TG(15:0_18:1_18:2)_and_TG(16:0_17:1_18:2)_and_TG(16:1_17:1_18:1)_M+NH3_feature3 C54 H101 N O6 860.7696966 859.76242 TG(51:3)_lp_c 8.596 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 862.7853266 861.77805 TG(51:2)_lp_b 8.968 TG(51:1)_M+NH3_feature1 C54 H105 N O6 864.8008766 863.7936 TG(51:1)_lp_a 9.003 TG(51:1)_M+NH3_feature2 C54 H105 N O6 864.8011566 863.79388 TG(51:1)_lp_b 9.377 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 866.8167466 865.80947 TG(51:0)_lp_a 9.575 TG(50:5)_M+NH3_feature2 C53 H95 N O6 842.7225966 841.71532 TG(50:5)_lp_b 7.797 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature2 C53 H97 N O6 844.7383866 843.73111 TG(50:4)_lp_b 8.052 TG(50:3)_M+NH3_feature3 C53 H96 O6 829.7273766 828.7201 TG(50:3)_lp_c 8.394 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature2 C53 H101 N O6 848.7696966 847.76242 TG(50:2)_lp_b 8.753 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature3 C53 H101 N O6 848.7696566 847.76238 TG(50:2)_lp_c 8.838 TG(50:1)>TG(16:0_16:0_18:1)_feature4 C53 H100 O6 833.7588666 832.75159 TG(16:0_16:0_18:1)_lp_d 9.213 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 C53 H105 N O6 852.8009766 851.7937 TG(16:0_16:0_18:0)_lp_c 9.496 TG(49:3)_M+NH3_feature2 C52 H97 N O6 832.7382166 831.73094 TG(49:3)_lp_b 8.197 TG(49:2)_M+NH3_feature4 C52 H99 N O6 834.7530866 833.74581 TG(49:2)_lp_d 8.735 TG(49:2)_M+NH3_feature3 C52 H99 N O6 834.7537066 833.74643 TG(49:2)_lp_c 8.614 TG(49:2)_M+NH3_feature2 C52 H99 N O6 834.7537266 833.74645 TG(49:2)_lp_b 8.532 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 836.7697166 835.76244 TG(49:1) 8.993 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 838.7853866 837.77811 TG(49:0) 9.396 TG(48:4)>TG(12:0_18:2_18:2)_M+NH3_feature2 C51 H93 N O6 816.7067766 815.6995 TG(12:0_18:2_18:2)_lp_b 7.704 TG(48:3)_M+NH3_feature2 C51 H95 N O6 818.7226366 817.71536 TG(48:3)_lp_b 8.013 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature2 C51 H97 N O6 820.7379666 819.73069 TG(48:2)_lp_b 8.023 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 820.7379666 819.73069 TG(48:2)_lp_c 8.403 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature3 C51 H99 N O6 822.7535266 821.74625 TG(48:1)_lp_c 8.775 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature2 C51 H99 N O6 822.7534166 821.74614 TG(48:1)_lp_b 8.352 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 824.7693566 823.76208 TG(48:0) 9.244 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 790.6913266 789.68405 TG(46:3) 7.665 TG(46:2)_M+NH3_feature2 C49 H93 N O6 792.7069166 791.69964 TG(46:2)_lp_b 8.021 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 794.7223366 793.71506 TG(46:1)_lp_b 8.361 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 796.7374666 795.73019 TG(46:0) 8.803 TG(44:2)_M+NH3_feature2 C47 H89 N O6 764.6757066 763.66843 TG(44:2)_lp_b 7.676 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature3 C47 H91 N O6 766.6912966 765.68402 TG(10:0_16:0_18:1)_lp_c 7.984 TG(42:1)_M+NH3_feature1 C45 H87 N O6 738.6601066 737.65283 TG(42:1)_lp_a 7.649 TG(40:4)>TG(4:0_18:2_18:2)_M+NH3_feature1 C43 H77 N O6 704.5818466 703.57457 TG(4:0_18:2_18:2)_lp_a 6.644 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 C43 H79 N O6 706.5974166 705.59014 TG(4:0_18:1_18:2)_lp_b 6.897 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature2 C43 H81 N O6 708.6131566 707.60588 TG(40:2)_lp_b 7.148 TG(40:1)_M+NH3_feature3 C43 H83 N O6 710.6286066 709.62133 TG(40:1)_lp_c 7.468 TG(40:1)_M+NH3_feature1 C43 H83 N O6 710.6285666 709.62129 TG(40:1)_lp_a 7.389 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature2 C41 H79 N O6 682.5975966 681.59032 TG(4:0_16:0_18:1)_lp_b 7.145 TG(36:2)>TG(2:0_16:0_18:2)_M+NH3_feature3 C39 H73 N O6 652.5507366 651.54346 TG(2:0_16:0_18:2)_lp_c 6.621 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature3 C39 H75 N O6 654.5661866 653.55891 TG(36:1)_lp_c 6.889 TG(36:0)>TG(4:0_16:0_16:0)_M+NH3_feature4 C39 H77 N O6 656.5818566 655.57458 TG(4:0_16:0_16:0)_lp_d 7.155 sn-glycero-3-phosphocholine_feature1 C8 H20 N O6 P 258.1095766 257.1023 sn-Glycero-3-phosphocholine 0.766 SM(d43:1)_feature2 C48 H97 N2 O6 P 829.7148266 828.70755 SM(d43:1)_lp_b 7.07 SM(d42:3)_feature1 C47 H91 N2 O6 P 811.6679466 810.66067 SM(d42:3)_lp_a 6.12 SM(d42:2)_feature2 C47 H93 N2 O6 P 813.6841566 812.67688 SM(d42:2)_lp_b 6.654 SM(d42:1)_feature2 C47 H95 N2 O6 P 815.6997666 814.69249 SM(d42:1)_lp_b 6.986 SM(d41:2)_feature2and3 C46 H91 N2 O6 P 799.6682566 798.66098 SM(d41:2)_lp_bc 6.586 SM(d41:1)_feature1 C46 H93 N2 O6 P 801.6840366 800.67676 SM(d41:1) 6.851 SM(d40:2)_feature2 C45 H89 N2 O6 P 785.6523666 784.64509 SM(d40:2)_lp_b 6.244 SM(d40:1)_feature2 C45 H91 N2 O6 P 787.6683766 786.6611 SM(d40:1)_lp_b 6.697 SM(d39:1)_feature2 C44 H89 N2 O6 P 773.6525266 772.64525 SM(d39:1)_lp_b 6.475 SM(d38:2)_feature2 C43 H85 N2 O6 P 757.6209266 756.61365 SM(d38:2)_lp_b 5.271 SM(d38:1)_feature2 C43 H87 N2 O6 P 759.6373266 758.63005 SM(d38:1)_lp_b 6.055 SM(d37:1)_feature1 C42 H85 N2 O6 P 745.6206666 744.61339 SM(d37:1) 5.553 SM(d36:2)_feature1 C41 H81 N2 O6 P 729.5890766 728.5818 SM(d36:2) 4.371 SM(d36:1)_feature1 C41 H83 N2 O6 P 731.6060266 730.59875 SM(d36:1) 5.081 SM(d36:0)_feature1 C41 H85 N2 O6 P 733.6212666 732.61399 SM(d36:0) 5.469 SM(d35:1)_feature1 C40 H81 N2 O6 P 717.5896166 716.58234 SM(d35:1) 4.64 SM(d34:1-OH)_feature1 C39 H79 N2 O7 P 719.5689266 718.56165 SM(d34:1-OH) 3.966 SM(d34:2)_feature1 C39 H77 N2 O6 P 701.5586166 700.55134 SM(d34:2) 3.652 SM(d34:1)_feature1 C39 H79 N2 O6 P 703.5738266 702.56655 SM(d34:1) 4.225 SM(d34:0)_feature1 C39 H81 N2 O6 P 705.5894466 704.58217 SM(d34:0) 4.535 SM(d33:1)_feature1 C38 H77 N2 O6 P 689.5580266 688.55075 SM(d33:1) 3.87 PS(40:6)>PS(18:0_22:6)_feature1 C46 H78 N O10 P 836.6063566 835.59908 PS(18:0_22:6)_lp_a 4.439 PS(40:6)_feature3 C46 H78 N O10 P 836.5418966 835.53462 PS(40:6)_lp_c 4.541 PS(40:5)_feature3 C46 H80 N O10 P 838.5576666 837.55039 PS(40:5)_lp_c 4.8 PS(40:4)_feature1 C46 H82 N O10 P 840.5734866 839.56621 PS(40:4) 5.352 PS(38:4)>PS(18:0_20:4)_feature2 C44 H78 N O10 P 812.5417866 811.53451 PS(18:0_20:4)_lp_b 4.757 PS(38:3)_feature3 C44 H80 N O10 P 814.5582766 813.551 PS(38:3)_lp_c 5.101 PS(36:2)_feature4 C42 H78 N O10 P 788.5429166 787.53564 PS(36:2)_lp_d 4.854 PS(36:2)_feature3 C42 H78 N O10 P 788.5428866 787.53561 PS(36:2)_lp_c 4.727 PI(40:6)>PI(18:0_22:6)_feature2 C49 H83 O13 P 911.5625066 910.55523 PI(18:0_22:6)_lp_b 4.452 PI(40:5)>PI(18:0_22:5)_M+NH3_feature2 C49 H88 N O13 P 930.6049866 929.59771 PI(18:0_22:5)_lp_b 4.98 PI(40:5)>PI(18:0_22:5)_feature1 C49 H85 O13 P 913.5784066 912.57113 PI(18:0_22:5)_lp_a 4.681 PI(38:5)>PI(18:1_20:4)_feature1 C47 H81 O13 P 902.5740666 901.56679 PI(18:1_20:4)_lp_a 3.945 PI(38:4)>PI(18:0_20:4)_feature2 C47 H83 O13 P 887.5630766 886.5558 PI(18:0_20:4)_lp_b 4.65 PI(38:3)>PI(18:0_20:3)_feature4 C47 H85 O13 P 889.5786966 888.57142 PI(18:0_20:3)_lp_d 5.268 PI(38:3)>PI(18:0_20:3)_feature2 C47 H85 O13 P 889.5786666 888.57139 PI(18:0_20:3)_lp_b 4.984 PE(O-40:8)>PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 774.5425566 773.53528 PE(O-40:8)_lp_b 4.806 PE(O-40:7)>PE(O-18:2/22:5)_feature4 C45 H78 N O7 P 776.5588466 775.55157 PE(O-40:7)_lp_d 5.078 PE(O-40:7)>PE(O-18:1/22:6)_feature7 C45 H78 N O7 P 776.5587966 775.55152 PE(O-18:1/22:6)_lp_g 5.686 PE(O-40:7)>PE(O-18:1/22:6)_feature6 C45 H78 N O7 P 776.6067966 775.59952 PE(O-18:1/22:6)_lp_f 5.551 PE(O-40:6)>PE(O-18:1/22:5)_feature4 C45 H80 N O7 P 778.5741866 777.56691 PE(O-18:1/22:5)_lp_d 5.979 PE(O-40:6)>PE(O-18:1/22:5)_feature5 C45 H80 N O7 P 778.5741666 777.56689 PE(O-18:1/22:5)_lp_e 6.272 PE(O-40:5)>PE(O-18:1/22:4)_feature5 C45 H82 N O7 P 780.5895166 779.58224 PE(O-18:1/22:4)_lp_e 6.651 PE(O-40:5)>PE(O-18:1/22:4)_feature4 C45 H82 N O7 P 780.5895566 779.58228 PE(O-18:1/22:4)_lp_d 6.486 PE(O-38:7)>PE(O-16:1/22:6)_feature2 C43 H74 N O7 P 748.5272666 747.51999 PE(O-16:1/22:6)_lp_b 4.759 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 750.5433166 749.53604 PE(O-38:6)_lp_b 5.035 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature4 C43 H76 N O7 P 750.5434566 749.53618 PE(O-38:6)_lp_d 5.335 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 752.5587766 751.5515 PE(O-18:1/20:4)_lp_f 5.951 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 752.5588066 751.55153 PE(O-16:1/22:4)_lp_e 5.641 PE(O-38:5)_feature3 C43 H78 N O7 P 752.5586466 751.55137 PE(O-38:5)_lp_c 5.194 PE(O-38:3)>PE(O-18:2/20:1)_feature3 C43 H82 N O7 P 756.5896266 755.58235 PE(O-18:2/20:1) 6.605 PE(O-38:2)>PE(O-18:1/20:1)_feature4 C43 H84 N O7 P 758.6053366 757.59806 PE(O-38:2)_lp_d 6.912 PE(O-37:5)>PE(O-17:1/20:4)_feature2 C42 H76 N O7 P 738.5427866 737.53551 PE(O-17:1/20:4)_lp_b 5.466 PE(O-37:5)>PE(O-17:1/20:4)_feature1 C42 H76 N O7 P 738.5427366 737.53546 PE(O-17:1/20:4)_lp_a 5.283 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 724.5268166 723.51954 PE(O-16:1/20:4)_lp_c 4.993 PE(O-36:5)>PE(O-16:1/20:4)_feature2 C41 H74 N O7 P 724.5267866 723.51951 PE(O-16:1/20:4)_lp_b 4.835 PE(O-36:3)>PE(O-18:2/18:1)_feature4 C41 H78 N O7 P 728.5588766 727.5516 PE(O-18:2/18:1)_lp_d 5.936 PE(O-36:3)>PE(O-18:1/18:2)_feature6 C41 H78 N O7 P 728.5587566 727.55148 PE(O-18:1/18:2)_lp_f 6.117 PE(O-36:3)_feature2 C41 H76 N O7 P 726.5422066 725.53493 PE(O-36:3)_lp_b 5.208 PE(O-36:2)>PE(O-18:1/18:1)_feature2 C41 H80 N O7 P 730.5742066 729.56693 PE(O-18:1/18:1)_lp_b 6.621 PE(O-34:2)>PE(O-16:1/18:1)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 702.5432066 701.53593 PE(O-34:2)_lp_a 5.878 PE(O-34:1)>PE(O-18:1/16:0)_feature2 C39 H78 N O7 P 704.5584966 703.55122 PE(O-18:1/16:0)_lp_b 6.599 PE(O-34:1)_feature1 C39 H78 N O7 P 704.5583566 703.55108 PE(O-34:1)_lp_a 5.994 PE(O-32:1)>PE(O-16:1/16:0)_feature1 C37 H74 N O7 P 676.5275366 675.52026 PE(O-16:1/16:0) 5.837 PE(42:8)>PE(20:4_22:4)_feature4 C47 H78 N O8 P 816.5502766 815.543 PE(20:4_22:4)_lp_d 5.527 PE(42:10)_feature2 C47 H74 N O8 P 812.5192466 811.51197 PE(42:10) 4.077 PE(40:8)_feature1 C45 H74 N O8 P 788.5217266 787.51445 PE(40:8) 3.863 PE(40:7)_feature3 C45 H76 N O8 P 790.5360366 789.52876 PE(40:7)_lp_c 4.423 PE(40:7)_feature4 C45 H76 N O8 P 790.5363366 789.52906 PE(40:7)_lp_d 4.77 PE(40:6)_feature1 C90 H156 N2 O16 P2 1584.096197 1583.08892 PE(40:6)_lp_a 4.44 PE(40:6)_feature2 C45 H78 N O8 P 792.5537266 791.54645 PE(40:6)_lp_b 5.249 PE(40:5)_feature3 C45 H80 N O8 P 794.5683666 793.56109 PE(40:5)_lp_c 5.514 PE(40:5)_feature4 C45 H80 N O8 P 794.5683766 793.5611 PE(40:5)_lp_d 5.838 PE(40:4)>PE(18:0_22:4)_feature1 C45 H82 N O8 P 796.5835366 795.57626 PE(18:0_22:4)_lp_a 5.185 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 796.5843666 795.57709 PE(18:0_22:4)_lp_b 6.112 PE(38:6)_feature2 C43 H74 N O8 P 764.5217466 763.51447 PE(38:6)_lp_b 4.037 PE(38:6)_feature3 C43 H74 N O8 P 764.5217466 763.51447 PE(38:6)_lp_c 4.378 PE(38:5)>PE(18:1_20:4)_feature3 C43 H76 N O8 P 766.5369066 765.52963 PE(18:1_20:4)_lp_c 4.625 PE(38:5)_feature3 C43 H76 N O8 P 766.5369466 765.52967 PE(38:5)_lp_c 4.309 PE(38:5)_feature2 C43 H76 N O8 P 766.5349766 765.5277 PE(38:5)_lp_b 4.1 PE(38:5)_feature4 C43 H76 N O8 P 766.5352866 765.52801 PE(38:5)_lp_d 5.633 PE(38:5)_feature5 C43 H76 N O8 P 766.5369766 765.5297 PE(38:5)_lp_e 4.907 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 768.5537866 767.54651 PE(18:0_20:4)_lp_e 5.486 PE(38:4)>PE(18:0_20:4)_feature1 C43 H78 N O8 P 768.5533666 767.54609 PE(18:0_20:4)_lp_a 4.457 PE(38:4)>PE(18:0_20:4)_feature4 C43 H78 N O8 P 768.5539466 767.54667 PE(18:0_20:4)_lp_d 5.18 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 770.5694866 769.56221 PE(18:0_20:3)_lp_c 5.966 PE(38:3)>PE(18:0_20:3)_feature2 C43 H80 N O8 P 770.5691366 769.56186 PE(18:0_20:3)_lp_b 5.617 PE(36:5)_feature5 C41 H72 N O8 P 738.5040466 737.49677 PE(36:5)_lp_e 4.712 PE(36:5)_feature3 C41 H72 N O8 P 738.5051766 737.4979 PE(36:5)_lp_c 4.119 PE(36:4)>PE(16:0_20:4)_feature3 C41 H74 N O8 P 740.5218566 739.51458 PE(16:0_20:4)_lp_c 4.575 PE(36:4)>PE(16:0_20:4)_feature1 C41 H74 N O8 P 740.5211366 739.51386 PE(16:0_20:4)_lp_a 4.154 PE(36:3)_feature1 C41 H76 N O8 P 742.5380766 741.5308 PE(36:3)_lp_a 4.772 PE(36:2)>PE(18:2_18:0)_feature3 C41 H78 N O8 P 744.5542366 743.54696 PE(36:2)_lp_c 5.647 PE(36:2)>PE(18:2_18:0)_feature2 C41 H78 N O8 P 744.5544766 743.5472 PE(36:2)_lp_b 5.458 PE(36:1)_feature3 C41 H80 N O8 P 746.5695566 745.56228 PE(36:1)_lp_c 6.32 PE(34:2)_feature2 C39 H74 N O8 P 716.5217066 715.51443 PE(34:2)_lp_b 4.725 PE(34:1)_feature1 C39 H76 N O8 P 718.5373766 717.5301 PE(34:1)_lp_a 5.379 PC(O-40:7)_feature1 C48 H84 N O7 P 818.6040366 817.59676 PC(O-40:7)_lp_a 4.665 PC(O-40:7)_feature2 C48 H84 N O7 P 818.6041366 817.59686 PC(O-40:7)_lp_b 4.801 PC(O-40:7)_feature3 C48 H84 N O7 P 818.6041166 817.59684 PC(O-40:7)_lp_c 5.387 PC(O-40:6)_feature5 C48 H86 N O7 P 820.6202066 819.61293 PC(O-40:6)_lp_e 5.684 PC(O-38:7)_feature7 C46 H80 N O7 P 790.5738566 789.56658 PC(O-38:7)_lp_g 6.165 PC(O-38:7)_feature1 C46 H80 N O7 P 790.5725466 789.56527 PC(O-38:7)_lp_a 4.497 PC(O-38:7)_feature6 C46 H80 N O7 P 790.5736366 789.56636 PC(O-38:7)_lp_f 5.967 PC(O-38:6)_feature5 C46 H82 N O7 P 792.5890466 791.58177 PC(O-18:2/20:4)_lp_e 5.04 PC(O-38:6)_feature3 C46 H82 N O7 P 792.5890266 791.58175 PC(O-38:6)_lp_c 4.762 PC(O-38:4)_feature4 C46 H86 N O7 P 796.6198966 795.61262 PC(O-38:4)_lp_d 5.502 PC(O-38:4)_feature1 C46 H86 N O7 P 796.5830166 795.57574 PC(O-38:4)_lp_a 4.309 PC(O-38:4)_feature6 C46 H86 N O7 P 796.6209766 795.6137 PC(O-38:4)_lp_f 5.833 PC(O-37:5)_feature2 C45 H82 N O7 P 780.5888266 779.58155 PC(O-37:5) 5.167 PC(O-36:5)_feature2 C44 H80 N O7 P 766.5739866 765.56671 PC(O-36:5)_lp_b 4.301 PC(O-36:5)_feature5 C44 H80 N O7 P 766.5727966 765.56552 PC(O-36:5)_lp_e 4.731 PC(O-36:4)_feature4 C44 H82 N O7 P 768.5898466 767.58257 PC(O-36:4)_lp_d 4.907 PC(O-36:4)_feature2 C44 H82 N O7 P 768.5506166 767.54334 PC(O-36:4)_lp_b 4.714 PC(O-36:3)_feature4 C44 H84 N O7 P 770.6058166 769.59854 PC(O-36:3)_lp_d 5.825 PC(O-36:2)_feature3 C44 H86 N O7 P 772.6209166 771.61364 PC(O-36:2)_lp_c 6.456 PC(O-36:2)_feature1 C44 H86 N O7 P 772.6217166 771.61444 PC(O-36:2)_lp_a 5.736 PC(O-36:1)_feature3 C44 H88 N O7 P 774.6366466 773.62937 PC(O-36:1)_lp_c 6.548 PC(O-34:2)_feature2 C42 H82 N O7 P 744.5900466 743.58277 PC(O-34:2)_lp_b 5.551 PC(O-34:2)_feature1 C42 H82 N O7 P 744.5892666 743.58199 PC(O-34:2)_lp_a 5.008 PC(O-34:1)_feature4 C42 H84 N O7 P 746.6052466 745.59797 PC(O-34:1)_lp_d 6.426 PC(O-34:1)_feature2 C42 H84 N O7 P 746.6052566 745.59798 PC(O-34:1)_lp_b 5.688 PC(O-34:0)_feature1 C42 H86 N O7 P 748.6210266 747.61375 PC(O-34:0) 6.519 PC(O-32:1)_feature2 C40 H80 N O7 P 718.5741766 717.5669 PC(O-32:1)_lp_b 5.514 PC(O-32:1)_feature1 C40 H80 N O7 P 718.5738566 717.56658 PC(O-32:1)_lp_a 4.81 PC(O-32:0)_feature1 C40 H82 N O7 P 720.5898166 719.58254 PC(O-32:0) 5.668 PC(O-30:0)_feature1 C38 H78 N O7 P 692.5580266 691.55075 PC(O-30:0) 4.758 PC(44:12)_feature1 C52 H80 N O8 P 878.5687766 877.5615 PC(44:12) 3.429 PC(44:10)_feature1 C52 H84 N O8 P 882.5997966 881.59252 PC(44:10) 4.02 PC(42:9)_feature2 C50 H82 N O8 P 856.5832566 855.57598 PC(42:9)_lp_b 3.85 PC(42:9)_feature3 C50 H82 N O8 P 856.5833566 855.57608 PC(42:9)_lp_c 3.965 PC(42:8)_feature3 C50 H84 N O8 P 858.5988566 857.59158 PC(42:8)_lp_c 4.31 PC(42:8)_feature2 C50 H84 N O8 P 858.5990066 857.59173 PC(42:8)_lp_b 4.212 PC(42:7)_feature1 C50 H86 N O8 P 860.6146066 859.60733 PC(42:7)_lp_a 4.553 PC(42:7)_feature4 C50 H86 N O8 P 860.6145866 859.60731 PC(42:7)_lp_d 4.971 PC(42:6)_feature3 C50 H88 N O8 P 862.6305866 861.62331 PC(42:6)_lp_c 5.523 PC(42:6)_feature2 C50 H88 N O8 P 862.6304566 861.62318 PC(42:6)_lp_b 5.242 PC(42:1)_feature2 C50 H98 N O8 P 872.7095766 871.7023 PC(42:1)_lp_b 7.257 PC(41:7)_feature1 C49 H84 N O8 P 846.5990966 845.59182 PC(41:7)_lp_a 4.573 PC(41:6)_feature3 C49 H86 N O8 P 848.6152166 847.60794 PC(41:6)_lp_c 5.471 PC(41:3)_feature1 C50 H80 N O8 P 854.5685866 853.56131 PC(41:3) 3.566 PC(40:8)_feature1 C48 H80 N O8 P 830.5697666 829.56249 PC(40:8) 3.809 PC(40:7)_feature1 C48 H82 N O8 P 832.5830666 831.57579 PC(40:7)_lp_a 3.888 PC(40:7)_feature3 C48 H82 N O8 P 832.5830566 831.57578 PC(40:7)_lp_c 4.215 PC(40:6)_feature3 C48 H84 N O8 P 834.6005366 833.59326 PC(40:6)_lp_c 4.992 PC(40:6)_feature2 C48 H84 N O8 P 834.6006866 833.59341 PC(40:6)_lp_b 4.437 PC(40:5)_feature1 C48 H86 N O8 P 836.6153366 835.60806 PC(40:5)_lp_a 4.963 PC(40:5)_feature3 C48 H86 N O8 P 836.6145466 835.60727 PC(40:5)_lp_c 5.264 PC(40:5)_feature4 C48 H86 N O8 P 836.6145466 835.60727 PC(40:5)_lp_d 5.566 PC(40:4)_feature1 C48 H88 N O8 P 838.6308666 837.62359 PC(40:4)_lp_a 5.488 PC(40:4)_feature2 C48 H88 N O8 P 838.6318866 837.62461 PC(40:4)_lp_b 5.857 PC(40:4)_feature3 C48 H88 N O8 P 838.6318966 837.62462 PC(40:4)_lp_c 6.18 PC(40:1)_feature1 C48 H94 N O8 P 844.6779666 843.67069 PC(40:1) 6.976 PC(39:6)_feature3 C47 H82 N O8 P 820.5833666 819.57609 PC(39:6)_lp_c 4.559 PC(39:6)_feature2 C47 H82 N O8 P 820.5833266 819.57605 PC(39:6)_lp_b 4.41 PC(39:5)_feature3 C47 H84 N O8 P 822.5991466 821.59187 PC(39:5)_lp_c 4.803 PC(39:5)_feature2 C47 H84 N O8 P 822.5992866 821.59201 PC(39:5)_lp_b 4.653 PC(39:5)_feature6 C47 H84 N O8 P 822.5976266 821.59035 PC(39:5)_lp_f 5.637 PC(39:5)_feature5 C47 H84 N O8 P 822.5991366 821.59186 PC(39:5)_lp_e 5.104 PC(39:5)_feature7 C47 H84 N O8 P 822.5978366 821.59056 PC(39:5)_lp_g 5.851 PC(39:4)_feature3 C47 H86 N O8 P 824.6133766 823.6061 PC(39:4)_lp_c 5.373 PC(39:4)_feature4 C47 H86 N O8 P 824.6151266 823.60785 PC(39:4)_lp_d 5.501 PC(39:4)_feature5 C47 H86 N O8 P 824.6151566 823.60788 PC(39:4)_lp_e 5.702 PC(38:7)_feature2 C46 H78 N O8 P 804.5513866 803.54411 PC(38:7)_lp_b 3.797 PC(38:7)_feature1 C46 H78 N O8 P 804.5511866 803.54391 PC(38:7)_lp_a 3.469 PC(38:6)_feature1 C46 H80 N O8 P 806.5687566 805.56148 PC(38:6)_lp_a 3.856 PC(38:6)_feature2 C46 H80 N O8 P 806.5689766 805.5617 PC(38:6)_lp_b 4.162 PC(38:6)_feature3 C46 H80 N O8 P 806.5660266 805.55875 PC(38:6)_lp_c 4.564 PC(38:5)_feature3 C46 H82 N O8 P 808.5834666 807.57619 PC(38:5)_lp_c 4.404 PC(38:5)_feature5 C46 H82 N O8 P 808.5834766 807.5762 PC(38:5)_lp_e 4.664 PC(38:4)_feature4 C46 H84 N O8 P 810.6003166 809.59304 PC(38:4)_lp_d 5.226 PC(38:3)_feature3 C46 H86 N O8 P 812.6159466 811.60867 PC(38:3)_lp_c 5.62 PC(38:2)_feature6 C46 H88 N O8 P 814.6308266 813.62355 PC(38:2)_lp_f 6.181 PC(38:2)_feature3 C46 H88 N O8 P 814.6308566 813.62358 PC(38:2)_lp_c 6.03 PC(38:1)_feature1 C46 H90 N O8 P 816.6469566 815.63968 PC(38:1) 6.671 PC(37:6)_feature1 C45 H78 N O8 P 792.5530066 791.54573 PC(37:6)_lp_a 3.834 PC(37:6)_feature6 C45 H78 N O8 P 792.5525966 791.54532 PC(37:6)_lp_e 4.668 PC(37:6)_feature4 C45 H78 N O8 P 792.5524666 791.54519 PC(37:6)_lp_c 4.44 PC(37:5)_feature4 C45 H80 N O8 P 794.6046966 793.59742 PC(37:5)_lp_d 5.656 PC(37:5)_feature3 C45 H80 N O8 P 794.6044566 793.59718 PC(37:5)_lp_c 5.329 PC(37:5)_feature2 C45 H80 N O8 P 794.6051366 793.59786 PC(37:5)_lp_b 4.909 PC(37:4)_feature2 C45 H82 N O8 P 796.5836466 795.57637 PC(37:4)_lp_b 4.627 PC(37:4)_feature3 C45 H82 N O8 P 796.5835966 795.57632 PC(37:4)_lp_c 4.774 PC(37:3)_feature2 C45 H84 N O8 P 798.5985966 797.59132 PC(37:3)_lp_b 5.125 PC(37:2)_feature1 C45 H86 N O8 P 800.6152066 799.60793 PC(37:2)_lp_a 5.66 PC(37:2)_feature2 C45 H86 N O8 P 800.6153266 799.60805 PC(37:2)_lp_b 5.857 PC(37:1)_feature3 C45 H88 N O8 P 802.6313366 801.62406 PC(37:1)_lp_c 6.458 PC(37:0)_feature2 C45 H90 N O8 P 804.5887166 803.58144 PC(37:0)_lp_b 4.931 PC(37:0)_feature1 C45 H90 N O8 P 804.5882866 803.58101 PC(37:0)_lp_a 4.767 PC(36:6)_feature3 C44 H76 N O8 P 778.5372566 777.52998 PC(36:6)_lp_c 3.516 PC(36:5)_feature2 C44 H78 N O8 P 780.5533266 779.54605 PC(36:5)_lp_b 3.725 PC(36:5)_feature3 C44 H78 N O8 P 780.5532666 779.54599 PC(36:5)_lp_c 3.897 PC(36:5)_feature1 C44 H78 N O8 P 780.5533866 779.54611 PC(36:5)_lp_a 3.555 PC(36:4)_feature3 C44 H80 N O8 P 782.5688766 781.5616 PC(36:4)_lp_c 4.354 PC(36:4)_feature2 C44 H80 N O8 P 782.5687466 781.56147 PC(36:4)_lp_b 3.961 PC(36:3)_feature2 C44 H82 N O8 P 784.5837766 783.5765 PC(36:3)_lp_b 4.537 PC(36:2)_feature3 C44 H84 N O8 P 786.6010066 785.59373 PC(36:2)_lp_c 5.369 PC(36:1)_feature1 C44 H86 N O8 P 788.6164366 787.60916 PC(36:1)_lp_a 6.055 PC(36:0)_feature3 C44 H88 N O8 P 790.6315366 789.62426 PC(36:0)_lp_c 6.662 PC(35:4)_feature2 C43 H78 N O8 P 768.5535466 767.54627 PC(35:4)_lp_b 3.983 PC(35:3)_feature1 C43 H80 N O8 P 770.5686166 769.56134 PC(35:3)_lp_a 4.174 PC(35:3)_feature6 C43 H80 N O8 P 770.5695766 769.5623 PC(35:3)_lp_f 5.865 PC(35:2)_feature2 C43 H82 N O8 P 772.5848666 771.57759 PC(35:2)_lp_b 4.91 PC(35:2)_feature1 C43 H82 N O8 P 772.5845966 771.57732 PC(35:2)_lp_a 4.759 PC(35:1)_feature1 C43 H84 N O8 P 774.6000366 773.59276 PC(35:1)_lp_a 5.569 PC(34:4)_feature2 C42 H76 N O8 P 754.5374966 753.53022 PC(34:4)_lp_b 3.669 PC(34:3)_feature3 C42 H78 N O8 P 756.5529666 755.54569 PC(34:3)_lp_c 4.108 PC(34:3)_feature1 C42 H78 N O8 P 756.5529166 755.54564 PC(34:3)_lp_a 3.846 PC(34:2)_feature1 C42 H80 N O8 P 758.5690666 757.56179 PC(34:2)_lp_a 4.479 PC(34:1)_feature2 C42 H82 N O8 P 760.5847966 759.57752 PC(34:1)_lp_b 5.106 PC(34:0)_feature4 C42 H84 N O8 P 762.6007766 761.5935 PC(34:0)_lp_c 5.999 PC(34:0)_feature2 C42 H84 N O8 P 762.6006866 761.59341 PC(34:0)_lp_b 5.528 PC(33:1)_feature1 C41 H80 N O8 P 746.5693366 745.56206 PC(33:1)_lp_a 4.706 PC(33:0)_feature3 C41 H82 N O8 P 748.5846666 747.57739 PC(33:0)_lp_c 5.52 PC(32:2)_feature3 C40 H76 N O8 P 730.5376466 729.53037 PC(32:2)_lp_c 4.123 PC(32:2)_feature1 C40 H76 N O8 P 730.5376466 729.53037 PC(32:2)_lp_a 3.757 PC(32:1)_feature1 C40 H78 N O8 P 732.5527966 731.54552 PC(32:1)_lp_a 4.311 PC(32:1)_feature2 C40 H78 N O8 P 732.5526866 731.54541 PC(32:1)_lp_b 4.415 PC(32:0)_feature2 C40 H80 N O8 P 734.5690366 733.56176 PC(32:0)_lp_b 5.051 PC(31:1)_feature1 C39 H76 N O8 P 718.5373766 717.5301 PC(31:1)_lp_a 3.972 PC(31:1)_feature2 C39 H76 N O8 P 718.5368066 717.52953 PC(31:1)_lp_b 4.229 PC(31:0)_feature1 C39 H78 N O8 P 720.5530266 719.54575 PC(31:0)_lp_a 4.467 PC(31:0)_feature2 C39 H78 N O8 P 720.5529766 719.5457 PC(31:0)_lp_b 4.627 PC(30:0)_feature1 C38 H76 N O8 P 706.5368166 705.52954 PC(30:0)_lp_a 4.229 LPE(O-18:2)_feature1 C23 H46 N O6 P 464.3131266 463.30585 LPE(O-18:2) 2.255 LPE(18:0)>LPE(18:0/0:0)_feature2 C23 H48 N O7 P 482.3235766 481.3163 LPE(18:0)_lp_b 2.396 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 C30 H50 N O7 P 568.3389966 567.33172 LPC(22:6)_lp_ab 1.653 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 C28 H50 N O7 P 544.3390166 543.33174 LPC(20:4)_lp_ab 1.723 LPC(20:1/0:0)_and_LPC(0:0/20:1)_feature1and2 C28 H56 N O7 P 550.3861666 549.37889 LPC(20:1)_lp_ab 2.368 LPC(20:0)>LPC(20:0/0:0)_feature2 C28 H58 N O7 P 552.4017566 551.39448 LPC(20:0)_lp_b 2.691 LPC(19:0)>LPC(19:0/0:0)_feature2 C27 H56 N O7 P 538.3862266 537.37895 LPC(19:0)_lp_b 2.512 LPC(19:0)>LPC(0:0/19:0)_feature1 C27 H56 N O7 P 1613.143777 1612.1365 LPC(19:0)_lp_a 2.448 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 C26 H50 N O7 P 520.3389366 519.33166 LPC(18:2)_lp_ab 1.795 LPC(18:1/0:0)_feature2 C26 H52 N O7 P 522.3551866 521.34791 LPC(18:1)_lp_b 2.093 LPC(18:0)>LPC(18:0/0:0)_feature2 C26 H54 N O7 P 524.3706366 523.36336 LPC(18:0)_lp_b 2.351 LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 C25 H52 N O7 P 510.3551866 509.34791 LPC(17:0)_lp_ab 2.207 LPC(16:0)>LPC(16:0/0:0)_feature2 C24 H50 N O7 P 496.3393766 495.3321 LPC(16:0)_lp_b 2.03 HexCer(d43:1-OH)>HexCer(d18:1/25:0-OH)_feature1 C49 H95 N O9 842.7009666 841.69369 HexCer(d18:1/25:0-OH) 7.178 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH)_feature3 C48 H91 N O9 826.6756066 825.66833 HexCer(d18:1/24:1-OH)_lp_c 6.656 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature3 C48 H93 N O9 828.6913366 827.68406 HexCer(d18:1/24:0-OH)_lp_c 6.978 HexCer(d42:1)>HexCer(d18:1/24:0)_feature2 C48 H93 N O8 812.6965266 811.68925 HexCer(d42:1)_lp_b 7.049 HexCer(d41:1-OH)>HexCer(d18:1/23:0-OH)_feature2 C47 H91 N O9 814.6760166 813.66874 HexCer(d18:1/23:0-OH)_lp_b 6.844 Eucramide Dimer_feature1 C44 H86 N2 O2 675.6756266 674.66835 Eucramide Dimer 3.177 EA(22:0)_feature1 C24 H49 N O2 384.3830166 383.37574 Behenoyl-EA 3.705 EA(18:0)_feature1 C20 H41 N O2 328.3205066 327.31323 Stearoyl-EA 2.635 EA(17:0)_feature1 C19 H39 N O2 314.3048366 313.29756 EA(17:0) 2.456 EA(15:0)_feature1 C17 H35 N O2 286.2735966 285.26632 EA(15:0) 2.136 DG(40:7)>DG(18:1_22:6_0:0)_M+NH3_feature3 C43 H73 N O5 684.5557266 683.54845 DG(18:1_22:6)_lp_c 5.723 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 C43 H72 O5 686.5714566 685.56418 DG(40:6)_lp_f 6.554 DG(40:4)>DG(18:0_22:4_0:0)_M+NH3_feature3 C43 H76 O5 690.6024166 689.59514 DG(18:0_22:4)_lp_c 6.893 DG(38:5)>DG(18:1_20:4_0:0)_M+NH3_feature2 C41 H73 N O5 660.5556866 659.54841 DG(18:1_20:4)_lp_b 6.022 DG(38:4)>DG(18:0_20:4_0:0)_M+NH3_feature6 C41 H75 N O5 645.5447966 644.53752 DG(18:0_20:4)_lp_f 6.68 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 C39 H68 O5 634.5400766 633.5328 DG(16:0_20:4)_lp_b 5.982 DG(36:4)>DG18:2_18:2_0:0)_feature1 C39 H68 O5 617.5132166 616.50594 DG(36:4)_lp_a 5.479 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 C39 H73 N O5 636.5558066 635.54853 DG(18:1_18:2)_lp_c 6.225 DG(36:2)>DG(18:1_18:1_0:0)_M+NH3_feature3 C39 H75 N O5 638.5713466 637.56407 DG(18:1_18:1)_lp_c 6.685 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature2 C39 H77 N O5 640.5869466 639.57967 DG(18:0_18:1)_lp_b 6.981 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature3 C37 H71 N O5 610.5395266 609.53225 DG(16:0_18:2)_lp_c 6.192 DG(34:1)>DG(16:0_18:1_0:0)_M+NH3_feature2 C37 H70 O5 595.5291666 594.52189 DG(16:0_18:1)_lp_b 6.67 DG(34:0)>DG(16:0_18:0_0:0)_M+NH3_feature2 C37 H75 N O5 614.5713166 613.56404 DG(16:0_18:0)_lp_b 6.978 DG(32:0)>DG(16:0_16:0_0:0)_M+NH3_feature2 C35 H71 N O5 586.5402566 585.53298 DG(16:0_16:0)_lp_b 6.661 Coenzyme Q9_feature1 C54 H82 O4 795.6283366 794.62106 Coenzyme Q9 7.516 Coenzyme Q10_feature1 C59 H90 O4 863.6902866 862.68301 Coenzyme Q10 8.033 cholesterol M - H2O_feature1 C27 H44 369.3508666 368.34359 Cholesterol 4.8 Cer(d43:1)>Cer(d18:1/25:0)_feature1and2 C43 H85 N O3 664.6595166 663.65224 Cer(d18:1/25:0)_lp_ab 7.464 Cer(d42:3)>Cer(d18:1/24:2)_and_Cer(d18:2/24:1)_feature2 C42 H79 N O3 646.6126866 645.60541 Cer(d42:3)_lp_b 6.77 Cer(d42:2)>Cer(d18:1/24:1)_feature3 C42 H81 N O3 648.6284166 647.62114 Cer(d18:1/24:1)_lp_c 7.013 Cer(d42:1)>Cer(d18:1/24:0)_feature3 C42 H83 N O3 650.6441066 649.63683 Cer(d18:1/24:0)_lp_c 7.373 Cer(d41:1)>Cer(d18:1/23:0)_feature1 C41 H81 N O3 636.6283666 635.62109 Cer(d18:1/23:0) 7.208 Cer(d40:1)>Cer(d18:1/22:0)_feature2 C40 H79 N O3 622.6125666 621.60529 Cer(d18:1/22:0)_lp_b 7.049 Cer(d36:1)>Cer(d18:1/18:0)_feature1 C36 H71 N O3 566.5503966 565.54312 Cer(d18:1/18:0) 6.169 Cer(d34:1)>Cer(d18:1/16:0)_feature1 C34 H67 N O3 538.5186266 537.51135 Cer(d18:1/16:0) 5.196 carnitine_feature1 C7 H15 N O3 162.1121966 161.10492 Carnitine 0.753 Car(4:0-OH)_feature1 C11 H21 N O5 248.1487366 247.14146 CAR(4:0(OH)) 0.741 Car(4:0)_feature1 C11 H21 N O4 232.1538166 231.14654 CAR(4:0) 0.761 Car(3:0)_feature1 C10 H19 N O4 218.1383066 217.13103 CAR(3:0) 0.755 Car(20:4)_feature1 C27 H45 N O4 448.3413666 447.33409 CAR(20:4) 1.717 Car(2:0)_feature1 C9 H17 N O4 204.1227266 203.11545 CAR(2:0) 0.752 Car(18:2)_feature1 C25 H45 N O4 424.3413166 423.33404 CAR(18:2)_lp_a 1.739 Car(18:1)_feature1 C25 H47 N O4 426.3571266 425.34985 CAR(18:1)_lp_a 2.013 Car(18:0)_feature1 C25 H49 N O4 428.3728666 427.36559 CAR(18:0) 2.261 Car(16:0)_feature1 C23 H45 N O4 400.3414366 399.33416 CAR(16:0) 1.941 Car(14:0)_feature1 C21 H41 N O4 372.3102966 371.30302 CAR(14:0) 1.499 3-(1-pyrazolyl)-alanine_feature1 C6 H9 N3 O2 156.0765866 155.06931 3-(1-pyrazolyl)-alanine 0.883 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH) - 826.6759066 825.66863 - 6.764 310.2867_7.054 - 311.2939766 310.2867 - 7.054 327.3132_6.748 - 328.3204966 327.31322 - 6.748 327.3132_7.05 - 328.3204966 327.31322 - 7.05 310.2867_6.752 - 311.2939666 310.28669 - 6.752 626.5264_4.65 - 627.5336966 626.52642 - 4.65 626.5268_5.487 - 627.5340266 626.52675 - 5.487 368.344_9.708 - 369.3512366 368.34396 - 9.708 368.344_9.331 - 369.3512366 368.34396 - 9.331 532.0813_1.649 - 533.0885666 532.08129 - 1.649 3184.3096_5.179 - 3185.316867 3184.30959 - 5.179 508.2898_2.583 - 509.2970566 508.28978 - 2.583 1759.2145_2.461 - 1760.221777 1759.2145 - 2.461 796.6453_5.681 - 797.6525266 796.64525 - 5.681 342.2877_2.107 - 343.2949266 342.28765 - 2.107 795.0699_4.564 - 796.0771866 795.06991 - 4.564 3182.3034_5.179 - 3183.310687 3182.30341 - 5.179 1584.0925_5.512 - 1585.099797 1584.09252 - 5.512 892.6918_8.361 - 893.6990666 892.69179 - 8.361 766.621_4.847 - 767.6282866 766.62101 - 4.847 1575.09_5.696 - 1576.097267 1575.08999 - 5.696 749.499_3.994 - 750.5062666 749.49899 - 3.994 835.5477_3.98 - 836.5550166 835.54774 - 3.98 818.0591_4.688 - 819.0663366 818.05906 - 4.688 901.7337_8.74 - 902.7409566 901.73368 - 8.74 1593.0718_4.117 - 1594.079087 1593.07181 - 4.117 795.0681_5.031 - 796.0753566 795.06808 - 5.031 3229.1979_5.265 - 3230.205147 3229.19787 - 5.265 908.7226_8.589 - 909.7298266 908.72255 - 8.589 1708.4465_8.389 - 1709.453737 1708.44646 - 8.389 972.8894_9.73 - 973.8967166 972.88944 - 9.73 811.6621_6.81 - 812.6693766 811.6621 - 6.81 1967.3245_2.445 - 1968.331767 1967.32449 - 2.445 820.5441_5.337 - 821.5513766 820.5441 - 5.337 1676.3946_8.052 - 1677.401907 1676.39463 - 8.052 687.5796_6.015 - 688.5868466 687.57957 - 6.015 231.1654_2.581 - 232.1726566 231.16538 - 2.581 961.8088_8.283 - 962.8161066 961.80883 - 8.283 2986.8729_7.471 - 2987.880137 2986.87286 - 7.471 199.3671_5.245 - 200.3743366 199.36706 - 5.245 913.7974_8.842 - 914.8046866 913.79741 - 8.842 1235.0253_6.674 - 1236.032617 1235.02534 - 6.674 3954.7821_4.33 - 3955.789407 3954.78213 - 4.33 868.6657_3.963 - 869.6729566 868.66568 - 3.963 872.5538_5.391 - 873.5611166 872.55384 - 5.391 1820.1136_5.393 - 1821.120827 1820.11355 - 5.393 1220.8402_4.403 - 1221.847497 1220.84022 - 4.403 2159.4522_2.413 - 2160.459477 2159.4522 - 2.413 944.5527_5.405 - 945.5599766 944.5527 - 5.405 1039.8555_8.029 - 1040.862817 1039.85554 - 8.029 858.5946_4.197 - 859.6018666 858.59459 - 4.197 938.7689_9.093 - 939.7761866 938.76891 - 9.093 731.6055_6.901 - 732.6127666 731.60549 - 6.901 1544.0406_4.794 - 1545.047837 1544.04056 - 4.794 619.59_6.81 - 620.5972566 619.58998 - 6.81 1718.9701_3.899 - 1719.977337 1718.97006 - 3.899 1004.7796_8.712 - 1005.786897 1004.77962 - 8.712 785.5352_5.521 - 786.5424266 785.53515 - 5.521 908.8502_9.475 - 909.8574266 908.85015 - 9.475 947.4836_5.478 - 948.4908366 947.48356 - 5.478 894.6324_6.993 - 895.6396966 894.63242 - 6.993 183.0659_2.353 - 184.0731366 183.06586 - 2.353 1718.5347_9.491 - 1719.541967 1718.53469 - 9.491 515.3245_2.067 - 516.3317266 515.32445 - 2.067 808.655_7.846 - 809.6622966 808.65502 - 7.846 1604.1493_5.374 - 1605.156547 1604.14927 - 5.374 975.9181_10.043 - 976.9253566 975.91808 - 10.043 911.5569_4.976 - 912.5641466 911.55687 - 4.976 815.5519_5.127 - 816.5591266 815.55185 - 5.127 938.7072_9.296 - 939.7145166 938.70724 - 9.296 1825.0408_4.242 - 1826.048097 1825.04082 - 4.242 813.5018_5.034 - 814.5090866 813.50181 - 5.034 922.7373_9.267 - 923.7445966 922.73732 - 9.267 2962.2296_6.62 - 2963.236867 2962.22959 - 6.62 2388.6439_3.96 - 2389.651147 2388.64387 - 3.96 1983.097_4.98 - 1984.104267 1983.09699 - 4.98 771.0709_4.668 - 772.0781366 771.07086 - 4.668 448.3409_1.038 - 449.3481966 448.34092 - 1.038 837.5512_3.496 - 838.5584566 837.55118 - 3.496 799.5486_6.277 - 800.5559066 799.54863 - 6.277 2424.7319_5.187 - 2425.739147 2424.73187 - 5.187 803.0373_3.846 - 804.0445366 803.03726 - 3.846 998.7521_8.963 - 999.7593266 998.75205 - 8.963 733.5982_6.136 - 734.6054666 733.59819 - 6.136 525.0771_1.467 - 526.0843566 525.07708 - 1.467 940.8281_8.165 - 941.8353266 940.82805 - 8.165 170.0221_0.826 - 171.0293366 170.02206 - 0.826 358.1592_0.838 - 359.1665066 358.15923 - 0.838 1750.5034_8.972 - 1751.510667 1750.50339 - 8.972 262.0739_1.102 - 263.0811766 262.0739 - 1.102 550.4954_8.525 - 551.5026566 550.49538 - 8.525 2009.3446_2.439 - 2010.351827 2009.34455 - 2.439 635.5354_5.691 - 636.5426366 635.53536 - 5.691 258.2345_9.708 - 259.2417666 258.23449 - 9.708 1820.6724_9.639 - 1821.679647 1820.67237 - 9.639 732.5406_4.916 - 733.5478966 732.54062 - 4.916 437.3346_1.909 - 438.3418466 437.33457 - 1.909 1347.8541_0.799 - 1348.861407 1347.85413 - 0.799 671.2908_2.351 - 672.2980866 671.29081 - 2.351 3088.2881_5.124 - 3089.295397 3088.28812 - 5.124 534.2086_2.318 - 535.2158466 534.20857 - 2.318 1519.0573_4.569 - 1520.064587 1519.05731 - 4.569 857.5913_4.925 - 858.5985766 857.5913 - 4.925 2391.6841_5.132 - 2392.691397 2391.68412 - 5.132 1442.9935_7.436 - 1444.000737 1442.99346 - 7.436 1653.0904_4.307 - 1654.097697 1653.09042 - 4.307 862.5046_3.961 - 863.5118366 862.50456 - 3.961 797.5813_5.6 - 798.5885666 797.58129 - 5.6 971.7233_8.665 - 972.7305866 971.72331 - 8.665 338.27_2.324 - 339.2772566 338.26998 - 2.324 813.5269_4.678 - 814.5341966 813.52692 - 4.678 1557.5749_5.487 - 1558.582157 1557.57488 - 5.487 1699.1295_2.23 - 1700.136767 1699.12949 - 2.23 768.0469_4.313 - 769.0542166 768.04694 - 4.313 586.365_2.202 - 587.3722266 586.36495 - 2.202 1505.118_5.966 - 1506.125247 1505.11797 - 5.966 847.7673_8.756 - 848.7745266 847.76725 - 8.756 534.3417_3.566 - 535.3489866 534.34171 - 3.566 653.0913_1.811 - 654.0985466 653.09127 - 1.811 1989.0285_9.452 - 1990.035747 1989.02847 - 9.452 230.094_7.517 - 231.1012866 230.09401 - 7.517 671.5848_6.907 - 672.5921066 671.58483 - 6.907 2271.7338_5.106 - 2272.741037 2271.73376 - 5.106 1561.1419_5.17 - 1562.149137 1561.14186 - 5.17 553.8439_1.655 - 554.8511466 553.84387 - 1.655 945.9066_9.561 - 946.9139066 945.90663 - 9.561 1511.1273_5.529 - 1512.134557 1511.12728 - 5.529 791.5362_4.087 - 792.5434966 791.53622 - 4.087 960.7951_5.419 - 961.8024166 960.79514 - 5.419 813.507_5.695 - 814.5142566 813.50698 - 5.695 854.7356_8.357 - 855.7428466 854.73557 - 8.357 382.3596_9.427 - 383.3668366 382.35956 - 9.427 698.5457_7.004 - 699.5529766 698.5457 - 7.004 326.2967_7.517 - 327.3039966 326.29672 - 7.517 711.6371_7.475 - 712.6443366 711.63706 - 7.475 1027.8554_7.835 - 1028.862667 1027.85539 - 7.835 676.5407_6.907 - 677.5479466 676.54067 - 6.907 761.652_7.37 - 762.6592766 761.652 - 7.37 1181.353_5.108 - 1182.360287 1181.35301 - 5.108 185.4615_5.091 - 186.4688166 185.46154 - 5.091 478.2849_3.564 - 479.2922066 478.28493 - 3.564 1566.143_5.152 - 1567.150307 1566.14303 - 5.152 562.1637_0.912 - 563.1709366 562.16366 - 0.912 1271.1193_7.284 - 1272.126617 1271.11934 - 7.284 813.563_5.029 - 814.5703066 813.56303 - 5.029 980.8592_8.509 - 981.8665166 980.85924 - 8.509 1181.7453_4.329 - 1182.752537 1181.74526 - 4.329 1594.0756_4.411 - 1595.082827 1594.07555 - 4.411 639.528_3.104 - 640.5352766 639.528 - 3.104 685.549_3.088 - 686.5562766 685.549 - 3.088 236.0075_0.944 - 237.0148066 236.00753 - 0.944 692.535_6.546 - 693.5422766 692.535 - 6.546 822.6328_5.519 - 823.6400466 822.63277 - 5.519 899.7851_8.057 - 900.7924166 899.78514 - 8.057 1375.1334_6.134 - 1376.140647 1375.13337 - 6.134 631.4286_2.089 - 632.4359166 631.42864 - 2.089 935.8291_9.565 - 936.8364066 935.82913 - 9.565 703.6261_9.43 - 704.6333666 703.62609 - 9.43 204.1875_7.519 - 205.1947966 204.18752 - 7.519 263.0469_1.588 - 264.0541566 263.04688 - 1.588 400.3336_2.928 - 401.3408966 400.33362 - 2.928 2407.6971_5.351 - 2408.704377 2407.6971 - 5.351 325.3703_2.583 - 326.3775466 325.37027 - 2.583 1702.0949_4.203 - 1703.102177 1702.0949 - 4.203 795.0693_4.693 - 796.0765866 795.06931 - 4.693 764.5908_5.116 - 765.5980866 764.59081 - 5.116 565.2915_6.755 - 566.2987866 565.29151 - 6.755 705.5905_6.622 - 706.5977266 705.59045 - 6.622 910.7795_8.74 - 911.7867566 910.77948 - 8.74 729.5316_4.544 - 730.5388966 729.53162 - 4.544 1057.997_9.931 - 1059.004287 1057.99701 - 9.931 444.3597_4.81 - 445.3669466 444.35967 - 4.81 851.5515_5.147 - 852.5587866 851.55151 - 5.147 1616.0601_3.862 - 1617.067347 1616.06007 - 3.862 536.5144_9.596 - 537.5216666 536.51439 - 9.596 269.1623_1.12 - 270.1695566 269.16228 - 1.12 731.6059_6.643 - 732.6131366 731.60586 - 6.643 1034.9062_8.593 - 1035.913497 1034.90622 - 8.593 908.6599_8.385 - 909.6672066 908.65993 - 8.385 1231.3571_5.402 - 1232.364377 1231.3571 - 5.402 912.52_3.861 - 913.5272266 912.51995 - 3.861 767.5801_6.423 - 768.5873866 767.58011 - 6.423 300.1654_0.762 - 301.1726366 300.16536 - 0.762 396.3347_2.564 - 397.3419266 396.33465 - 2.564 833.5139_4.108 - 834.5211666 833.51389 - 4.108 807.5773_3.732 - 808.5845666 807.57729 - 3.732 612.4726_5.556 - 613.4799166 612.47264 - 5.556 2425.7439_5.351 - 2426.751177 2425.7439 - 5.351 1945.297_6.991 - 1946.304317 1945.29704 - 6.991 810.0438_5.444 - 811.0510966 810.04382 - 5.444 917.5977_4.649 - 918.6050066 917.59773 - 4.649 1136.334_5.084 - 1137.341317 1136.33404 - 5.084 781.71_4.396 - 782.7172666 781.70999 - 4.396 970.7809_7.858 - 971.7881666 970.78089 - 7.858 926.7581_8.376 - 927.7653466 926.75807 - 8.376 839.0452_1.869 - 840.0524266 839.04515 - 1.869 784.6612_6.775 - 785.6684766 784.6612 - 6.775 1626.1381_5.256 - 1627.145387 1626.13811 - 5.256 423.2369_1.668 - 424.2442066 423.23693 - 1.668 1560.0836_5.488 - 1561.090917 1560.08364 - 5.488 900.8734_8.729 - 901.8806766 900.8734 - 8.729 363.2534_5.884 - 364.2606466 363.25337 - 5.884 398.7616_5.115 - 399.7688666 398.76159 - 5.115 839.6992_7.761 - 840.7064566 839.69918 - 7.761 797.5609_4.55 - 798.5681666 797.56089 - 4.55 1575.1502_4.523 - 1576.157467 1575.15019 - 4.523 604.5429_5.314 - 605.5501266 604.54285 - 5.314 957.5049_5.99 - 958.5122166 957.50494 - 5.99 953.487_7.482 - 954.4942566 953.48698 - 7.482 539.0747_3.076 - 540.0819366 539.07466 - 3.076 2273.7396_5.104 - 2274.746857 2273.73958 - 5.104 397.3915_4.089 - 398.3987766 397.3915 - 4.089 909.8638_9.657 - 910.8710366 909.86376 - 9.657 868.5787_3.568 - 869.5859966 868.57872 - 3.568 1212.0932_7.034 - 1213.100497 1212.09322 - 7.034 191.8434_4.53 - 192.8506966 191.84342 - 4.53 822.5951_5.107 - 823.6023866 822.59511 - 5.107 1575.8565_1.693 - 1576.863727 1575.85645 - 1.693 748.5227_4.398 - 749.5299966 748.52272 - 4.398 307.2868_3.902 - 308.2941066 307.28683 - 3.902 1632.0887_4.3 - 1633.096017 1632.08874 - 4.3 931.7985_8.722 - 932.8057566 931.79848 - 8.722 962.7074_8.908 - 963.7147066 962.70743 - 8.908 920.7439_7.663 - 921.7512166 920.74394 - 7.663 912.5202_4.239 - 913.5274466 912.52017 - 4.239 742.5682_5.662 - 743.5754966 742.56822 - 5.662 936.7964_8.729 - 937.8036966 936.79642 - 8.729 643.5538_6.556 - 644.5610266 643.55375 - 6.556 1539.0517_4.79 - 1540.058947 1539.05167 - 4.79 1576.1622_4.759 - 1577.169447 1576.16217 - 4.759 445.3395_1.956 - 446.3468066 445.33953 - 1.956 614.3352_2.326 - 615.3425066 614.33523 - 2.326 745.5531_5.456 - 746.5603266 745.55305 - 5.456 2468.729_5.381 - 2469.736237 2468.72896 - 5.381 1727.0071_3.856 - 1728.014347 1727.00707 - 3.856 876.5765_7.178 - 877.5837466 876.57647 - 7.178 1934.9041_3.853 - 1935.911387 1934.90411 - 3.853 1041.9656_9.631 - 1042.972877 1041.9656 - 9.631 921.8617_9.704 - 922.8689366 921.86166 - 9.704 183.0624_5.373 - 184.0696866 183.06241 - 5.373 711.58_5.741 - 712.5872766 711.58 - 5.741 1618.1709_5.189 - 1619.178177 1618.1709 - 5.189 1800.5147_8.296 - 1801.522007 1800.51473 - 8.296 675.6522_7.326 - 676.6594466 675.65217 - 7.326 967.452_3.866 - 968.4592466 967.45197 - 3.866 720.6064_2.688 - 721.6136766 720.6064 - 2.688 889.5331_4.924 - 890.5403766 889.5331 - 4.924 291.292_4.807 - 292.2992866 291.29201 - 4.807 667.6475_7.348 - 668.6547766 667.6475 - 7.348 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9.708 530.1789_3.129 - 531.1861566 530.17888 - 3.129 481.4853_7.376 - 482.4925266 481.48525 - 7.376 1929.0411_3.853 - 1930.048387 1929.04111 - 3.853 997.8941_9.106 - 998.9013566 997.89408 - 9.106 744.5389_4.767 - 745.5462066 744.53893 - 4.767 494.3389_7.52 - 495.3461566 494.33888 - 7.52 809.6471_5.477 - 810.6544166 809.64714 - 5.477 865.5328_5.163 - 866.5401166 865.53284 - 5.163 562.4015_7.519 - 563.4087866 562.40151 - 7.519 1682.1066_3.699 - 1683.113917 1682.10664 - 3.699 788.5182_3.811 - 789.5255166 788.51824 - 3.811 1954.4037_4.347 - 1955.410987 1954.40371 - 4.347 642.4462_2.571 - 643.4534466 642.44617 - 2.571 410.2553_4.363 - 411.2625566 410.25528 - 4.363 674.9775_2.599 - 675.9847366 674.97746 - 2.599 2463.656_3.85 - 2464.663247 2463.65597 - 3.85 794.7182_7.982 - 795.7254666 794.71819 - 7.982 822.0933_5.334 - 823.1005866 822.09331 - 5.334 581.5653_6.9 - 582.5725666 581.56529 - 6.9 482.3193_1.813 - 483.3265866 482.31931 - 1.813 3186.3131_5.177 - 3187.320407 3186.31313 - 5.177 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828.6106_4.288 - 829.6178666 828.61059 - 4.288 1544.0998_5.505 - 1545.107117 1544.09984 - 5.505 1977.3895_4.348 - 1978.396727 1977.38945 - 4.348 834.5874_4.153 - 835.5946366 834.58736 - 4.153 1484.1274_4.311 - 1485.134677 1484.1274 - 4.311 850.6225_6.658 - 851.6298066 850.62253 - 6.658 822.5944_5.337 - 823.6016266 822.59435 - 5.337 853.0471_3.699 - 854.0543366 853.04706 - 3.699 1901.3038_2.42 - 1902.311087 1901.30381 - 2.42 3848.0451_9.434 - 3849.052407 3848.04513 - 9.434 796.0228_1.9 - 797.0300866 796.02281 - 1.9 758.6142_4.293 - 759.6214666 758.61419 - 4.293 1555.0974_4.242 - 1556.104667 1555.09739 - 4.242 2405.6797_5.437 - 2406.686947 2405.67967 - 5.437 823.5241_1.765 - 824.5314166 823.52414 - 1.765 1800.6151_9.641 - 1801.622367 1800.61509 - 9.641 570.5425_4.136 - 571.5497666 570.54249 - 4.136 4368.1748_9.499 - 4369.182077 4368.1748 - 9.499 1562.1091_4.129 - 1563.116337 1562.10906 - 4.129 297.3391_2.587 - 298.3464066 297.33913 - 2.587 794.5171_4.595 - 795.5244066 794.51713 - 4.595 835.4728_4.975 - 836.4801066 835.47283 - 4.975 822.5369_4.575 - 823.5442066 822.53693 - 4.575 1704.4262_8.324 - 1705.433477 1704.4262 - 8.324 574.4939_6.999 - 575.5011566 574.49388 - 6.999 1190.8283_5.127 - 1191.835547 1190.82827 - 5.127 3159.1139_5.482 - 3160.121207 3159.11393 - 5.482 360.0758_2.128 - 361.0830366 360.07576 - 2.128 1717.1826_2.569 - 1718.189867 1717.18259 - 2.569 1660.0913_4.73 - 1661.098597 1660.09132 - 4.73 156.0898_2.496 - 157.0970266 156.08975 - 2.496 871.1684_6.994 - 872.1756966 871.16842 - 6.994 856.0365_5.333 - 857.0438166 856.03654 - 5.333 185.5832_5.083 - 186.5904866 185.58321 - 5.083 802.079_4.916 - 803.0862466 802.07897 - 4.916 1460.1002_5.155 - 1461.107427 1460.10015 - 5.155 1550.1093_4.13 - 1551.116567 1550.10929 - 4.13 1754.5171_8.438 - 1755.524417 1754.51714 - 8.438 358.3266_2.342 - 359.3339166 358.32664 - 2.342 2328.6837_4.517 - 2329.690967 2328.68369 - 4.517 923.7408_9.262 - 924.7480766 923.7408 - 9.262 491.663_1.908 - 492.6702866 491.66301 - 1.908 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3210.1474_5.273 - 3211.154637 3210.14736 - 5.273 570.3451_2.611 - 571.3524166 570.34514 - 2.611 METABOLITES_END #END