#METABOLOMICS WORKBENCH efahy_20230425_000096 DATATRACK_ID:3993 STUDY_ID:ST002678 ANALYSIS_ID:AN004350 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 Liver Powder ST:STUDY_TITLE - Untargeted Lipidomics, Reversed-Phase Positive ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE Georgia Institute of Technology ST:DEPARTMENT Department of Chemistry and Biochemistry ST:LABORATORY Systems Mass Spectrometry Core (SyMSC) ST:LAST_NAME Facundo ST:FIRST_NAME Fernandez ST:ADDRESS 901 Atlantic Dr NW, Atlanta, GA 30332-0400 ST:EMAIL facundo.fernandez@chemistry.gatech.edu ST:PHONE (404) 385-4432 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - QC01 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC01.raw SUBJECT_SAMPLE_FACTORS - SampleBlank01 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank01.raw SUBJECT_SAMPLE_FACTORS - SampleBlank02 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank02.raw SUBJECT_SAMPLE_FACTORS - SampleBlank03 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank03.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Liver 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SUBJECT_SAMPLE_FACTORS 1628FB23-6F66-47D4-8D82-63C87726F0FD 90245016809 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female raw_file=90245016809.raw SUBJECT_SAMPLE_FACTORS 1CA4210C-3CE6-4A5A-996B-673EBDEB3B81 90281016809 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=90281016809.raw SUBJECT_SAMPLE_FACTORS F65955CE-E49F-48C7-B861-02A2FDF6F9B8 90227016809 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90227016809.raw SUBJECT_SAMPLE_FACTORS 1F9BD644-303F-43E7-94BE-FF6654306F5E 90585016809 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90585016809.raw SUBJECT_SAMPLE_FACTORS DC8B35E8-4AA8-4829-8569-F223D069620C 90578016809 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90578016809.raw SUBJECT_SAMPLE_FACTORS E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF 90292016809 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=90292016809.raw SUBJECT_SAMPLE_FACTORS - QC07 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC07.raw SUBJECT_SAMPLE_FACTORS - QC08 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC08.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Liver02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Liver02.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Liver02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Liver02.raw SUBJECT_SAMPLE_FACTORS - SampleBlank04 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank04.raw SUBJECT_SAMPLE_FACTORS - SampleBlank05 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank05.raw SUBJECT_SAMPLE_FACTORS - SampleBlank06 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank06.raw SUBJECT_SAMPLE_FACTORS - QC09 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC09.raw #COLLECTION CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY IPA extraction with three cycles of freeze/thaw(with sonication) #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY global lipid separation CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Vanquish horizon LC CH:COLUMN_NAME Thermo Accucore C30 (100 x 2.1mm,2.6um) CH:SOLVENT_A 40% water/60% acetonitrile; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 10% acetonitrile/90% isopropanol; 10 mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT t=0 min: 80%/20% (%A/%B) @ 0.4 ml/min | t=1 min: 40%/60% (%A/%B) @ 0.4 ml/min | CH:FLOW_GRADIENT t=5 min: 30%/70% (%A/%B) @ 0.4 ml/min | t=8 min: 10%/90% (%A/%B) @ 0.4 ml/min | CH:FLOW_GRADIENT t=8.2 min: 0%/100% (%A/%B) @ 0.4 ml/min | t=10.5 min: 0%/100% (%A/%B) @ 0.4 CH:FLOW_GRADIENT ml/min | t=10.7 min: 80%/20% (%A/%B) @ 0.4 ml/min | t=12 min: 80%/20% (%A/%B) @ CH:FLOW_GRADIENT 0.4 ml/min CH:FLOW_RATE 0.4 ml/min CH:COLUMN_TEMPERATURE 50C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_TYPE Orbitrap MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_RESULTS_FILE ST002678_AN004350_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 90217016809 90218016809 90222016809 90223016809 90225016809 90227016809 90229016809 90232016809 90237016809 90239016809 90245016809 90248016809 90251016809 90252016809 90254016809 90258016809 90259016809 90265016809 90266016809 90267016809 90280016809 90281016809 90283016809 90289016809 90292016809 90406016809 90410016809 90412016809 90416016809 90420016809 90421016809 90422016809 90423016809 90426016809 90430016809 90439016809 90441016809 90444016809 90449016809 90450016809 90559016809 90560016809 90564016809 90567016809 90571016809 90576016809 90578016809 90581016809 90585016809 90587016809 IPE_Reference_Liver IPE_Reference_Liver02 SED_Reference_Liver SED_Reference_Liver02 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 QC09 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_[istd]_M+NH3 4943084.139 5523389.878 5442273.572 5636090.942 5473387.029 5389356.544 4621588.001 4587836.393 4256857.502 4467491.767 5569625.426 5373231.071 5602076.895 5315082.189 5771725.562 6190996.402 5471838.309 5376009.866 5511606.739 5447646.103 5268045.81 5478467.943 5198477.26 4448503.069 4456543.298 5773084.857 5579588.104 5508192.548 5723664.7 5399060.412 4561617.086 4575080.586 4579752.29 5079682.841 4286004.99 5504620.165 4993251.238 3679604.389 5128389.828 5272458.32 5560156.796 3599941.699 5288294.662 5436227.511 5337054.175 5514453.838 5931679.241 5334061.091 5188260.513 5208306.174 5001386.23 4752441.481 5306362.499 5515554.458 5199618.708 5060351.216 5185411.205 4923839.279 5039333.724 4770330.567 4817740.829 5094638.804 5433958.972 407.3540961 798.1714702 330.512181 1034.192136 617.048508 1343.188367 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd] 2634641.948 2837112.248 2525423.68 2227377.617 2554218.224 2501154.816 2423217.73 2507637.922 2573705.991 2612981.495 2618975.849 2567186.245 2806265.724 2538632.041 2526928.3 2807274.407 2631700.938 2792531.636 2749417.067 2579523.71 2558814.158 2675485.165 2427767.316 2469774.942 2615352.509 2813380.606 2647393.837 2456618.377 2713168.218 2495678.004 2350073.163 2279881.713 2496466.818 2272267.14 2512547.786 2346554.315 2366263.277 2364087.816 2531807.005 2704426.094 2690312.343 2812332.651 2691848.584 2754696.878 2897977.186 2747781.536 2503683.251 2519304.095 2570725.584 2552967.084 2350512.428 2353990.888 2379282.241 2479210.689 2492842.161 2449892.898 2654577.563 2367176.766 2406374.398 2409208.952 2546143.354 2439674.534 2547335.07 284.9925238 281.6834358 276.7556368 297.4027418 278.2220815 284.0593195 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_[istd] 61646.4482 55957.20171 36613.01188 45871.01791 33885.4777 49787.11069 69122.03323 54697.64137 80243.33683 53450.59113 49967.01057 110203.7878 97873.06127 34426.69373 34815.46152 65771.21107 75321.53824 115375.6249 37520.45089 52977.29828 51801.45872 85538.63617 57369.63655 46535.99785 119772.4639 38921.33857 53803.75541 66741.45734 93781.17462 107937.3847 38822.76372 63476.61268 52538.2846 68697.84912 91302.01116 92776.03451 63591.02391 50315.23803 46650.46101 81296.37611 56664.22491 77786.24536 34819.33355 71446.52966 99281.50533 43940.92888 105959.4683 49236.91873 73622.91169 54519.4031 18705.51569 24552.62393 60951.90321 55099.08777 56613.4973 59207.35977 66593.66468 67087.4601 60171.44152 56071.53839 64044.47908 55276.25361 63901.45634 292.1450007 282.1885539 327.972863 330.9011687 331.0675563 360.571015 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] 465372.1048 425394.2883 398682.5758 372051.4312 421649.5762 411021.5552 432044.5146 427674.7253 435116.6185 394847.3772 416744.0477 463791.774 461468.3836 435566.2345 413560.8912 464372.6461 449378.0246 467836.1979 441170.0855 434502.6173 401807.7546 438720.9698 398870.2994 417800.7631 512018.8116 474293.7734 451144.5976 455720.2856 480142.1313 316443.8822 399715.7763 362245.7762 401920.8406 374541.8325 415442.3895 415078.2925 371127.4538 412343.0595 412572.3903 433191.1153 456384.564 477245.2275 417233.9135 472500.7393 465050.4362 459908.0198 436189.7768 441159.2235 433866.9063 427857.1113 401168.8153 380385.2301 398077.6399 418114.6812 452757.7655 423983.8322 431329.3992 416399.16 422370.1921 417759.3896 426937.8547 414396.3949 462218.8377 364.2521774 334.4015632 321.1796912 351.7454371 339.0459776 333.6306889 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] 252456.0712 255814.496 264812.8357 263803.3068 250016.899 259520.68 279234.5088 269174.4431 266400.1822 278179.9129 274889.3497 274868.7372 267741.7873 290076.9374 267357.3518 302183.2886 273936.7729 295469.3563 279703.1679 260248.8484 247296.1486 251209.1949 269873.6797 261021.3315 259795.6373 252229.8083 273227.6372 275478.6481 265845.6802 283874.7496 287084.0365 270640.4448 269092.5559 274825.046 247479.4885 274945.0949 282339.0429 280406.1315 257970.1781 249849.6645 272445.4504 272641.7215 290662.5391 269347.9894 258613.4063 281014.5852 276255.6092 248156.7117 277490.538 301544.541 232945.5704 255666.6324 250484.4887 248630.2499 267045.3429 263769.8647 255109.02 262944.0155 266321.4937 271386.5111 268782.2384 270302.3196 251661.3772 465.4365863 459.7147497 452.4933891 489.5848333 481.095375 479.2036411 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] 163621.9711 159444.2685 148122.7025 148991.9213 136566.225 152249.8887 159078.2563 151961.8939 147844.0207 146793.459 142861.2048 156772.322 160320.3715 148933.8015 140850.0229 170325.2154 146242.2435 153496.8403 141651.0685 145780.3111 147901.2628 151317.2882 139807.1563 142509.249 151075.3539 142397.8209 130658.7359 147715.8398 142000.9363 150137.9584 140246.938 143612.7795 143101.6293 148907.5401 145774.0798 150658.0334 147615.2359 147335.8249 144903.6188 150692.6065 150586.8494 150928.9564 145148.7945 147260.9982 154957.2567 150050.5139 152823.3724 150607.0079 146094.1356 152608.4957 143296.6411 148710.3556 153822.8599 149598.413 143755.5627 143145.1593 144722.9136 138886.8224 145971.2913 143737.6572 140825.0132 144363.9041 143665.3047 330.9584036 323.0079879 363.5516981 322.3721173 353.1981222 342.3060444 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd] 41813303.65 47809826.31 42459785.8 40148395.02 38836956.97 39999069.28 45613935.39 40232491.61 45890247.36 41984410.1 44662322.44 48845434.71 46326748.42 45352844.94 46947857.76 47533607.46 48513408.26 44489740.89 43240383.96 40404663.63 46361347.5 43917376.7 39309202.41 41470841.86 45454047.71 48080771.79 47669936.15 44258979.47 45880939.93 38489654.74 41281991.14 44906800.18 38226942.06 40684528.78 43024628.76 39426955.7 46196474.7 38631967.4 47981109.53 50371991.31 44005537.02 49610988.75 49249090.04 46710335.34 46125880.84 48407136.23 52960155.22 45707438.66 45533544.87 44857233.78 37154315.9 41532025.78 41161153.05 44092556.33 44886783.79 45468905.92 41483154.35 43155485.67 42963242.28 42823472.25 43058658.13 44942755.7 44782914.87 767.9639097 678.9498179 953.3138404 765.2295264 743.9997845 1267.903676 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] 2370924.418 2400356.424 2430614.587 2236953.316 2184108.919 2228420.703 2580013.959 2350524.387 2279896.738 2279527.953 2147106.723 2167311.194 2295763.332 2344411.73 2215325.236 2567284.381 2232108.443 2404961.658 2342279.86 2250541.203 2161529.971 2233320.316 2291520.645 2207495.473 2240253.952 2122790.292 2129691.583 2295999.582 2184268.057 2347495.53 2297096.587 2177484.846 2283959.435 2344175.909 2167641.594 2283331.92 2398716.275 2357292.091 2304073.289 2222622.455 2307807.305 2181579.1 2146117.27 2264398.017 2268733.722 2521240.115 2255643.519 2204484.447 2317251.582 2314693.991 2233250.917 2164025.87 2220425.937 2132222.973 2300087.082 2233268.317 2216162.499 2226179.55 2286365.567 2280207.532 2211223.478 2278085.685 2252253.097 499.1543567 907.5231969 1104.812416 481.769623 958.2024672 781.8386547 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_[istd] 253771.4946 237036.1529 235079.3954 246553.2221 229040.5262 233575.4115 247585.1593 227377.7606 236813.2778 264963.2436 248152.082 243609.3477 233826.0881 237536.8013 241656.408 272260.619 240566.7166 243364.7717 229523.6545 231701.2448 212069.9252 236184.6163 245995.364 226939.6516 238233.7048 227565.6643 248298.703 230220.9129 238753.1268 241226.4377 230263.9502 234359.7522 226302.5287 239275.5392 240353.2489 249226.4159 253073.8214 215407.4066 242259.7206 245647.4856 225657.2438 223882.5993 238167.5886 245328.3107 237457.1298 233189.7505 238275.6861 215482.4932 234592.3638 242953.9155 234892.6791 228592.3505 242698.6532 237399.2612 236680.0321 243486.1752 254838.8512 236796.3388 225688.1459 232744.0549 234156.109 259982.6366 236972.3162 236.7173551 234.9263917 225.1229919 236.7974198 231.4239018 307.204457 GTInternalStandard_CE(18:1(9z,d7))_[istd] 482638.7742 485697.9629 491994.7468 502873.9903 508254.2041 471138.5943 442251.9081 325118.9025 369278.6926 419580.6622 496280.0051 575197.1771 589466.7115 556517.4308 484620.0049 576363.4345 581679.8019 533848.4443 491970.7037 555920.7921 453306.2304 504958.5808 433783.5564 393687.8883 419288.9688 523585.7908 418626.1754 508632.385 468320.9543 551577.3158 412790.3712 351783.913 498485.6122 398445.0689 403489.4443 487722.8284 402536.0963 385628.1493 370620.262 427251.1695 547128.1681 437653.4847 459096.654 508234.8378 571913.7165 560378.1133 563337.1228 510550.7674 458134.4756 559145.7086 418026.0955 394346.0498 462835.3112 488042.56 472118.4715 425484.7134 528884.1525 445603.402 471178.5868 444987.1122 507691.2189 504225.4972 421293.8667 1520.692928 1641.342414 1524.879641 1370.465239 1325.820878 2014.560234 Ubiquinol Q9_feature1 10045783.83 12725827.46 13380427.27 14053047.54 11519493.54 12594377.84 14306810.87 11807877.34 11521765.5 11299249.08 15913878.31 14261101.68 16777241.34 16289003.11 13933054.23 19110080.55 11907971.16 18329806.2 19086323.47 15619864.99 7975172.633 11614773.24 14164070.08 9911021.924 7938657.054 14885646.71 18434598.6 12616237.25 16294333.09 21612630.63 11362412.53 12404844.49 14644242.24 15931549.83 11737209.96 15732733.82 14862649 15871724.62 12060362.12 9070269.313 19049414.73 10403250.42 14383081.55 13777019.37 13257599.62 18666653.14 14013548.62 15352714.79 24041834.07 20813452.01 10239178.6 10987422.66 10041490.46 11649288.74 14071544.57 12759926.18 13596165.9 13389449.88 12683661.38 13200861.9 12529296.85 14456057.98 13447568.39 916.8212054 962.3977667 1188.202811 1090.43471 1145.112938 1168.198506 Ubiquinol Q10_M+NH3_feature1 928542.4405 1452170.489 1210331.802 1399888.847 1036844.262 1405636.213 2019001.312 1371466.574 1312964.166 1141180.306 1529285.993 1240685.756 1189825.967 1788954.424 1338314.156 1640236.457 841868.2552 1902855.105 1992184.691 1362084.424 699100.3515 1281591.133 1453390.158 992799.964 914352.7821 1437840.501 2074916.522 1042493.544 1629146.101 2574623.382 1157605.593 1141377.161 1517001.305 1919084.072 1082444.538 1801565.203 1822244.977 1785310.447 1237613.913 761068.2117 1998185.04 848564.7382 1483748.204 1345898.533 1297333.674 2096339.57 1408263.231 1361301.677 3166955.77 2545512.412 550805.7112 659282.3992 456741.2237 540364.9457 1358859.752 1317127.464 1300762.753 1364299.026 1255851.958 1397878.281 1336333.112 1382968.525 1275962.772 225.2913124 236.4759149 228.6928767 288.2328672 296.8194071 282.2464663 TG(60:4)_M+NH3_feature1 105145.4006 58633.84668 88206.94424 109725.3623 84754.32286 86388.45612 110207.1402 110891.341 156776.5027 113704.4756 30698.40711 69732.96759 52292.13999 38362.84313 51890.47461 73680.96812 55111.42163 88703.5781 59393.47613 109561.9219 72465.583 129823.0129 105770.5659 80483.33069 275488.4503 34085.55175 29129.86682 87150.3598 56992.96628 99550.41053 222118.6565 250251.5486 182710.7606 159321.6634 142840.2063 113344.3514 216295.7299 246907.3224 144941.1833 107325.7355 74316.62301 364231.8927 68419.48728 71027.52798 57539.29416 89531.99327 61034.43953 66791.6946 116828.6533 76755.00517 80054.84977 82532.82686 64248.94055 69521.59318 74853.73896 119223.2517 90726.25437 100361.0607 117322.6684 110708.8641 80311.05867 94893.26252 97619.94303 333.3023401 331.7178518 339.7266888 336.7402099 326.1797774 338.1507182 TG(60:3)_M+NH3_feature2 85390.42611 88882.46169 82115.98275 116444.0242 77055.75774 158658.0426 181756.8871 168615.184 214214.7834 147212.2209 29626.91868 94930.41579 95874.84587 73766.75955 80594.7895 108210.0267 88987.16295 93653.26365 105880.8856 153327.2707 138522.3614 157263.8942 172097.7857 77360.09057 290064.0099 43893.15989 52220.79641 63590.42368 70000.91639 136173.9129 248017.1153 276303.9588 253608.3525 108422.1432 187587.2818 145615.7655 206603.7345 265448.086 156441.874 111556.535 126644.6716 230240.639 106233.734 69243.56664 59874.0626 135573.2763 84300.53049 79312.17667 84915.33929 163937.3363 115425.8062 101266.9543 104818.1356 91074.29784 141918.1487 84519.42811 148364.9185 142885.2094 138854.9349 80238.16074 125457.645 135579.8877 130072.6191 484.461036 495.4270458 484.582293 375.9892686 380.7216377 379.5375887 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature1 452390.4324 319119.0747 201825.7584 261999.1534 180348.6652 175306.564 595882.764 678739.4573 820129.7231 496695.3817 177022.4202 136034.0728 189924.8652 214108.0851 240947.9223 104429.8109 65712.05414 136553.5518 177160.7173 96874.44776 575971.0058 414112.4559 759383.7093 448588.2592 578409.5941 155433.2809 159550.8413 111677.4994 256953.1652 163328.9055 733634.791 685332.7631 492383.2269 527736.8904 565136.1344 786671.5191 853879.5441 1433694.125 637791.5056 491803.4796 246797.6816 193035.243 213217.1956 182667.986 206328.3763 216349.0907 187098.4864 348063.4735 375435.5066 235934.4413 280126.9089 352370.7238 208113.9823 272803.4524 358135.9969 356404.1505 395845.2495 424951.6515 416647.1992 398301.8254 402395.2329 377274.9141 352041.4138 820.3617442 843.1524155 816.8542629 646.5949331 772.4246482 656.2545016 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature4 520077.4854 299791.0872 221366.4616 418006.1743 302609.8921 248666.4527 925685.1427 949566.3559 1317418.804 745970.2774 135679.6224 94703.14914 117234.9341 137796.0894 327802.9751 92202.12692 128862.5746 191001.3832 237880.243 141385.914 695620.2707 385968.8479 907342.2714 725248.0703 766114.7416 195327.1626 135998.5064 249882.8085 146090.8158 244581.6837 1271412.893 1144514.15 1018035.212 964103.4267 904596.9598 680851.9759 1093518.462 3247372.868 746955.6298 718107.2491 205335.3831 340392.0216 140232.12 196016.8662 196729.3968 311181.4374 310771.331 420946.4297 419467.9058 187974.8334 323212.5361 378271.9671 251325.6321 177169.7488 544558.4494 499800.4597 555405.3353 472124.826 547313.2184 459441.7773 596654.9072 527912.3628 501048.9152 300.773765 310.2255795 315.7193848 291.1832901 278.7925528 755.2573024 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 3101709.478 1398437.202 826601.9736 1600098.547 978261.0718 1112529.79 3753428.025 5306012.428 4880032.119 4370293.7 332053.9625 253554.5852 283153.1004 399050.232 675865.0315 202372.974 329622.7361 488679.2677 717454.1085 349304.6535 3573327.051 1982270.149 4941065.034 3621164.615 2609891.069 372966.5721 206906.96 367779.873 439577.8992 557356.2638 4436265.332 5835763.29 3903475.313 4119974.323 3430809.961 5781222.178 5411380.129 6812981.442 2944099.092 2731231.711 594715.8988 644599.7409 487113.728 445540.4205 665841.4711 829220.3788 223804.6825 1314418.264 1494307.197 680720.5305 2186719.439 1942277.146 1203331.735 1467597.586 2090158.85 1974396.087 2108361.629 2177579.411 2131744.711 2145846.657 1837854.247 2047762.005 2189861.822 500.5249834 469.1635466 481.596723 528.0332627 522.3363858 519.7487729 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature5 274622.0117 217441.7105 196432.9825 191024.1572 173355.3593 233010.8315 361203.4582 343087.6979 449343.9232 375774.508 228422.4547 191756.4632 159130.3987 231783.6998 197034.072 124371.5966 114802.0943 243266.8701 340202.0857 145784.6131 298353.2318 261417.4471 551922.9371 401848.9066 254210.7067 134313.1626 196758.383 172758.1616 191098.0088 222797.3653 437969.8005 457648.4781 479108.3749 338965.896 456327.2466 410784.8949 371360.6158 523192.276 334579.8103 270135.2282 333122.6511 174639.0915 268733.2109 244627.8368 210629.2177 339058.7025 232958.124 284025.2224 277458.7773 297056.1566 349331.8422 200013.1888 182996.3167 115740.9618 294969.3837 285579.2103 299681.7906 294950.7469 277870.3031 277020.873 284926.2423 308918.6177 290076.8888 558.412578 1900.948868 1546.249298 565.2349733 1242.879701 1122.997707 TG(58:9)_M+NH3_feature2 4050290.841 1823206.423 869112.4459 2503164.78 867771.4669 2044525.958 6321761.58 6279805.797 9847626.814 5940440.444 335379.6407 232004.5684 612650.419 562830.5215 952206.2046 608729.3456 565626.6901 600162.0117 681472.1978 511028.213 5626835.207 3843494.896 8471768.932 6978681.39 4038033.411 356907.4043 248776.4188 681178.603 633612.3888 526863.1819 6160926.96 8158700.292 5721224.19 6162425.338 4166765.441 5762601.457 5952222.148 8333770.389 5054148.163 2139895.166 654647.4921 903757.8457 610978.4573 269562.2858 443881.3931 610457.4199 1109527.765 727960.6265 1306654.865 793129.1269 3701051.475 5503048.048 1628400.628 2494591.8 2643959.321 2215751.038 2439122.775 2546848.292 2764289.014 1492599.469 2093233.399 2281965.599 3223124.099 305.9118726 300.1057575 307.1684844 427.2742274 451.6256526 451.9282743 TG(58:9)_M+NH3_feature1 1603029.417 1277101.921 684629.9553 1005219.073 553296.0819 669990.5371 2497001.369 2975590.71 3013710.858 2140340.608 542391.6181 441693.4317 588828.0523 779636.3875 686655.6263 362123.441 264153.5988 487576.4506 924909.9239 409241.3394 2199611.485 1506692.645 4544085.379 2934899.719 1794451.974 424218.7374 581736.6383 471289.8945 731378.1728 742611.2469 3228971.361 2996556.709 2589745.02 2556145.676 1995825.06 3383318.751 3071209.746 5137063.28 2277743.262 1484662.957 975469.8442 653369.3458 652985.1105 519074.8332 509156.7314 823815.2536 506606.464 936067.7971 1301396.138 894095.8572 1803565.867 1949819.778 906148.4866 1009332.853 1355814.61 1328529.944 1324162.666 1394222.893 1311098.621 1333390.635 1285848.578 1386431.283 1349926.971 855.6665446 569.2551688 571.4176836 595.3931241 555.3348648 596.0204261 TG(58:9)_M+NH3_feature3 12669235.94 7284243.218 4726681.192 7222148.505 5133394.743 5808183.038 17848157.12 20308911.95 24170224.13 17887688.4 3009836.557 2776502 4000311.99 4605074.548 5113140.527 1949723.999 2167712.519 3221656.194 6206549.993 3258510.338 14420948.08 9580792.559 22815536.87 18226829.37 11908003.45 2272998.772 3130582.494 3241007.489 3760949.196 5180793.31 19322967.29 19889248.06 18940129.16 17950915.74 16887574.14 17786854.83 21111474.43 33178304.33 14266941.63 13587148.96 6137730.812 6587313.704 4263910.375 3726523.482 4226478.427 6325912.202 3587860.864 7347135.459 8752558.12 6017650.926 12755398.29 13278030.85 7285144.023 7104441.18 10304340.13 10007825.21 9935743.583 9945045.839 10134926.74 10706432.92 10311552.33 9959828.044 9903279.7 374.5911282 365.7190048 375.2226629 390.9451941 383.5423214 389.4276425 TG(58:8)>TG(18:0_20:4_20:4)_and_TG(18:0_18:2_22:6)_M+NH3_feature6 2017260.56 1386169.545 789328.9527 980575.1249 731564.6523 1207309.235 1814281.706 1890196.58 2686223.695 2342335.109 1304898.474 1243191.862 994903.4242 1867599.233 1147141.477 488248.3014 466429.1355 1311885.242 2308975.475 1018024.747 1536282.74 1229715.791 3064250.968 1803744.13 1486236.944 586184.069 1005845.279 1029126.986 999442.978 1227886.696 2466202.772 2750106.875 3007447.088 2431139.339 2019025.806 2671689.585 2287491.639 3216393.601 2121292.869 1363910.873 2362810.43 2207606.793 2409807.865 1843680.558 1397490.666 2710968.978 1588053.9 2148241.796 2257663.212 2358627.031 3175216.229 3735139.413 1016814.579 1036085.204 1887949.244 1618812.723 1788173.15 1913333.383 1658425.774 1814023.439 1528224.796 1847127.159 1882661.955 365.2387028 358.2121211 380.4177109 361.6909603 369.2893696 363.8198812 TG(58:8)_M+NH3_feature5 5941705.289 3175040.721 2354798.191 3432981.281 3498735.289 2801646.701 8033767.382 8159121.578 9785194.506 6496040.986 1400687.947 1042580.24 1541255.629 1303879.247 2411446.353 1308800.887 1293382.868 1791799.424 2318526.848 1564846.584 6339466.815 3570017.826 7967878.398 3309636.525 5988985.96 1283073.988 1240646.38 1858023.776 1749009.509 2241776.803 7697122.308 7853121.639 7720678.675 8036916.26 7776349.976 7810824.532 9652312.06 15917446.28 6290604.765 5929573.833 2601288.937 2334325.875 1413549.89 1786729.4 2028956.215 2636351.63 1769403.65 3296320.138 4759574.84 2145607.168 2748735.804 4307483.191 2978533.184 3327020.894 4006892.332 4363780.906 5682379.774 4608008.117 4273041.032 4619204.9 4407540.775 4608222.286 4492397.816 782.3021093 2664.699823 2168.784142 837.1711849 1842.443747 1666.186833 TG(58:8)_M+NH3_feature1 731971.4607 448057.0523 120821.0743 439660.0773 254009.753 172970.8705 754482.3549 869767.1124 944389.2379 719434.4551 107110.1007 68974.85138 78026.9212 243771.9479 108693.5257 50568.031 44132.6805 24656.13819 216903.4692 89667.8566 16652.28325 400925.4448 1238509.889 603596.9702 354332.8581 65217.898 83986.91776 80306.01462 70921.54526 199785.4325 761094.6493 949361.2666 786764.7655 73250.59795 573950.491 848753.9081 910470.5155 980011.0966 649035.6452 508915.7963 1817.601134 353381.1859 16553.72383 102197.2509 49965.06737 267671.3879 7903.475793 339808.7137 393208.6612 43995.96846 530526.0884 566001.3785 259842.3818 242837.551 335347.2972 570929.9521 323790.8207 405535.5662 400652.2788 409664.1197 412338.32 470157.3837 370064.5404 225.7038318 222.7619999 224.8946788 125.1769646 135.7114276 131.9420458 TG(58:8)_M+NH3_feature3 9520218.08 4978883.092 2952837.079 5345641.299 3984943.865 4327886.84 13329199.45 14838770.29 19332937.97 11535770 1071719.485 811756.3366 1023779.709 1152780.412 1685835.44 781438.0668 1066703.684 1563503.304 2207199.629 1344507.363 11132305.26 7838536.152 16049597.31 7176064.253 8768892.527 1011675.165 963126.2986 1428841.699 1175655.454 1806485.638 13404162.01 16580095.64 13894234.49 12982332.55 10823594.78 13803558.81 17943276.41 23700759.05 10924778.56 8922935.244 1985724.441 3748080.326 971368.5109 1258135.568 1946115.974 2440997.144 1365817.826 3098927.02 3534407.495 1442938.691 9014095.579 9496947.394 4604935.397 5102627.374 6259152.373 5952786.093 6398436.291 6867420.995 6148682.671 5873164.664 6233140.154 5962123.731 6611618.346 392.9608204 419.0708521 411.9437474 426.2892221 425.6827194 438.1789661 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 727937.6699 328972.7129 269523.0737 386831.1737 300899.8117 453366.1127 971258.3365 999473.2502 1279131.284 895306.7713 245233.2072 228634.3448 277816.951 292135.6865 363431.9103 232164.196 231493.208 360156.0264 475665.4723 305634.4976 627470.2754 472381.1824 1039657.589 854315.4051 839493.8109 180797.5288 205897.6013 299175.9832 229854.6442 368850.2122 1152632.795 1145679.614 1084814.08 893362.2498 939989.3278 867861.0483 1308183.266 1905203.07 779587.3234 663664.3469 551040.2648 978356.4308 393556.4665 307401.6466 307251.6292 543737.7931 405983.1299 528153.7708 686937.2902 427061.2482 609836.1366 631025.6943 345698.4977 364736.6758 593007.5137 602206.6737 604809.5033 622002.4597 580254.0678 611708.7528 605339.5617 585166.097 608570.5745 354.8615795 344.6531246 345.9481837 369.6266307 378.5197121 377.3698791 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 13308000.46 5498714.248 4256309.117 5029581.95 5164730.883 4406701.536 16822217.29 18656122.86 20523313.45 15712117.8 1407035.269 1291510.608 1455552.367 1342547.897 2519660.154 1230003.956 1424421.602 2811322.712 3587193.343 2091951.483 7786931.037 9051921.612 12193224.93 14596351.14 12170047.31 1307651.314 1142947.884 2009117.604 2030158.217 2714669.156 17030920.02 17347918.58 15236586.79 15726834.85 18053383.66 15104918.34 22874046.41 28037221.9 13003851.06 12953291.69 2621288.301 6488383.232 1688986.024 1494190.064 2008136.05 3132218.487 2111929.868 4255609.695 4655777.864 1926984.941 9102811.343 6121362.83 6985785.403 6622523.798 6568931.678 9033183.945 6466206.33 8806322.287 9368996.907 8040848.325 5987063.729 8288679.357 7709431.757 574.2922827 619.4985888 599.5679368 529.304465 582.6986872 606.4285954 TG(58:6)_M+NH3_feature3 211154.7516 61230.89182 59151.32418 89063.44015 90142.4008 93611.13701 275347.2124 275844.5943 409717.5689 295990.3106 22943.56706 13741.59948 31406.84628 28409.95952 52587.58537 43598.52081 50471.39202 63015.10606 64497.43982 63057.06318 170016.8976 134383.4423 236567.3023 218171.8331 209858.6105 21034.42135 23492.3337 34313.60723 30961.11208 76622.42684 305144.8325 373025.8372 317653.4015 343597.2467 327429.0245 226995.6604 343798.0411 603175.0925 208093.5933 218659.1281 61016.72062 138262.9846 33305.97155 29840.90362 40433.6805 68162.85374 39243.2577 90997.20479 87425.24239 61883.46801 195250.3305 172531.7404 124840.3471 94775.2543 155723.7443 90097.00829 157201.782 145166.1094 144652.793 128701.7751 142290.4758 120922.5864 141235.9741 311.4923765 338.15165 319.0052338 412.5274028 391.0210602 396.5731569 TG(58:6)_M+NH3_feature5 5453517.822 2142896.053 1389034.205 3197630.554 1689578.307 1761726.808 8194662.466 9365187.087 11734609.2 5465501.052 457092.0177 287401.4439 350168.8427 169195.1079 739085.7824 334783.7747 466590.0006 623240.4019 865685.4996 724025.5627 3367777.06 1833337.828 5556607.297 5832857.735 4822790.106 320203.7888 438953.9862 571068.1357 580982.262 646683.9139 8385836.523 8764834.74 7407202.797 7689023.976 8677855.101 5790374.169 9149585.576 11120532.75 4705696.683 4708610.625 838881.4614 2586898.087 553491.166 531559.8214 680381.2327 1009807.36 584882.9749 1305008.435 2288153.936 811677.1042 3617474.321 2926379.239 2605341.265 1949884.594 3824695.256 3668451.062 3844912.504 3225124.737 3630205.432 3584550.364 3625502.744 3762279.582 3779248.356 388.5326476 377.42166 378.1360895 377.0701214 393.4490911 384.1522685 TG(58:5)_M+NH3_feature4 34843.18027 14820.1236 12501.27232 22723.92297 16180.30245 22947.30311 170104.6441 98493.01938 284111.9431 161355.9385 7716.600023 5847.62233 7581.742444 3690.378581 10986.26626 7775.675974 10174.77507 11645.42954 10884.82171 7615.1501 36846.93865 27508.24302 79038.19169 60739.60362 113641.3176 7728.178879 6993.226378 10534.16351 10519.85684 10373.50679 289675.8214 213034.0787 151640.695 173476.1221 145188.3544 74442.38761 398570.8853 362768.8047 74293.71477 51775.12755 13175.88771 120028.3975 15743.49438 8691.01277 12267.05414 20229.52134 10755.20492 30671.85375 44636.87065 10189.82882 41685.39931 101060.2768 28126.07478 23867.97701 49350.40615 37860.99444 36324.69118 39963.84586 39979.31499 42629.2227 31579.88296 44114.25749 51263.31896 142.4979371 154.5578272 159.4253047 307.9778887 303.7525073 302.413949 TG(58:5)_M+NH3_feature6 796102.3038 420200.1683 325511.7044 567483.261 478508.2347 485881.3918 1394934.391 1341972.692 1799719.086 1267234.437 263416.7875 267889.9598 148506.8924 139689.6804 340262.9245 163597.1382 187737.2193 442270.4271 545805.9007 396733.2356 624610.5063 480503.4684 934608.4903 908139.0246 1099071.788 166041.5667 273764.941 375372.8278 293225.3599 336750.9042 1516953.421 1647737.023 1370833.584 1356887.18 1516220.323 1129169.152 1556289.113 2621407.533 860564.42 883759.3719 586030.7684 1150154.85 394707.7524 270897.5016 284079.2134 433467.3004 368241.5049 695844.0372 799524.4897 397318.3238 871732.4847 862110.2821 426967.5837 514693.1685 725617.6643 693375.8017 747105.379 708751.6622 631121.459 710747.9723 703888.4412 703571.2344 742524.5816 342.1488958 359.8181202 349.412935 365.9267957 373.1309015 380.1296961 TG(58:5)_M+NH3_feature3 898636.3036 465813.7387 378411.5375 677277.2508 694510.3848 667606.9154 879784.2167 1129449.898 1007270.228 1096254.057 297329.4168 284124.0028 256586.3031 266935.3902 476197.265 241477.3899 400417.9488 396268.019 470797.9361 446188.3936 711119.8983 490544.4836 552665.403 861030.6864 571858.3438 272001.6034 285012.2207 486071.0619 337064.7022 409894.119 768186.2348 696721.2087 924096.9981 854034.8252 1040714.261 863352.6659 771731.234 1417097.871 761270.6694 850697.9678 421435.1871 490764.617 277920.2328 416449.4808 469102.6177 572226.1198 453629.5519 615894.1485 617997.059 544276.4812 689205.4004 622389.1532 503368.4052 557106.7994 494049.9748 655400.7875 696202.7594 709472.9766 797190.0409 685025.969 649448.0326 618564.3824 614596.2841 442.6051963 424.3482362 424.5996288 251.5915773 261.1701406 253.6970173 TG(58:5)_M+NH3_feature2 144227.2126 19387.58014 21366.79574 50932.82563 33360.68615 36471.03532 292754.5343 365726.3556 418589.7263 234635.1504 8343.260787 5954.940368 6018.670329 5258.421715 11762.61236 3998.547142 6234.671601 16124.55371 16352.21923 15429.25209 96589.01548 57229.45614 137438.4332 152949.5444 185396.3829 5402.836681 5001.160044 12197.19491 9265.839176 14027.62624 336034.9349 345932.584 222914.6924 305145.8525 199229.7397 182958.0316 535818.1085 657357.5656 195745.6152 136550.15 76961.96783 80468.96127 8026.387648 9016.26579 9039.109977 24505.21115 7721.104658 95756.44193 60810.92274 13583.86257 71886.26209 97458.35328 33656.37288 46542.7582 94980.3076 80527.10178 72853.73482 60503.06715 69516.19846 91464.23342 91590.3944 66208.87344 94466.47567 119.6167151 115.6082736 117.9296184 211.3187037 217.6238969 216.4590027 TG(58:4)_M+NH3_feature5 425655.8808 240022.3399 200497.2199 212364.917 257949.2225 352092.2923 438201.9858 435963.6299 560176.7111 411786.8052 164021.9745 181267.1634 180680.8667 159832.5703 190918.1933 203733.7596 180728.9316 287094.4723 190019.4429 337912.5602 307621.8216 361560.746 528235.2639 439874.2228 717654.6967 109256.1817 135046.5937 154327.8226 168318.9987 241051.5741 683912.8531 812219.1234 573936.8784 603953.9651 416125.4844 429059.6279 878415.5732 716799.7501 449831.0297 384849.2388 227024.8881 724335.4178 270581.2147 124799.8049 204370.5163 203806.7912 208382.6072 284299.1206 277863.196 277686.5244 429761.6462 349804.3724 279574.6908 320615.5974 313617.8729 358086.6237 295837.9045 283416.5908 276059.7512 360299.7176 240488.3199 340584.7429 342352.3877 383.3055855 364.3514877 371.7301286 398.713521 408.6781478 384.5330552 TG(58:3)_M+NH3_feature4 261722.0209 184621.5594 244500.9466 241791.3375 227010.9932 329071.1189 390459.7963 387621.1776 538797.2577 349126.0327 109344.2224 228636.1777 193431.8613 95719.25616 164189.7503 231132.205 172226.8879 284322.4431 188209.3841 303696.996 239624.1434 320275.1139 344517.1568 289474.3756 771658.9944 94070.65661 101343.4308 193584.3882 139592.3811 248931.5174 555611.055 745468.0193 497739.1517 422996.9501 485172.3835 328751.0853 569606.025 609921.27 385802.5509 273310.1697 299459.7317 1094967.794 242029.101 179686.3383 184537.0418 246435.0745 168013.4587 250023.7155 310740.651 242382.5056 250491.0403 169362.1522 127741.3795 151141.308 272973.1743 252791.5176 311592.9632 282134.5901 270934.0368 251419.7551 294811.7955 279039.5524 268697.1654 762.3490439 759.2960836 778.2128079 805.4755977 821.8835322 1240.520754 TG(58:2)_M+NH3_feature3 131974.3735 106361.5688 146432.1139 137151.5899 125620.371 137906.499 180463.6299 185392.6167 222305.3416 190299.8416 62614.02262 119369.3355 128701.5097 84779.12966 98924.86589 156013.4383 109915.5992 189556.7691 102777.2047 146454.8403 144661.7308 179967.8237 129133.2825 144687.9727 390723.0857 42289.19916 52139.80732 112243.4617 84240.44782 143925.2853 303242.1626 358008.4671 223005.8382 219446.6373 232087.1659 159154.7991 151902.4366 196539.38 186344.0315 121890.1006 179241.276 504616.642 136422.6839 115020.1689 122118.9155 145604.6793 112777.462 141110.685 183076.3699 170208.6984 96813.59082 81066.67603 104783.4717 130938.3076 151633.5963 160151.5592 174358.5135 165885.889 163706.0423 174455.8227 167264.1894 171199.6629 142967.8225 370.2447203 380.3691065 379.4659959 406.1275137 430.2211081 426.9746555 TG(58:11)_M+NH3_feature1 1334153.996 1265124.607 829473.7261 1092710.836 622115.7877 890349.4289 2353575.039 2504396.33 2567129.777 1902684.664 699205.4668 701659.5186 1237037.796 1498433.031 794826.3333 759888.6886 400756.1224 701227.5254 1392965.347 697323.54 1853098.134 1789154.063 3385617.443 2239091.153 1512899.945 424240.3131 876787.9166 648019.0759 945181.219 1226412.53 2169301.205 2079554.246 2134707.068 2177553.409 1624494.13 2395271.417 2065457.012 4186068.696 1743617.267 937892.4105 1542649.258 865609.3543 955735.1455 696916.4951 614856.6234 967801.2551 647146.6712 906613.4511 1487064.133 1151266.254 1863142.417 2091340.968 821645.3784 923241.3755 1346294.342 1311874.687 1276775.834 1379182.354 1270840.951 1367869.187 1326667.606 1378691.692 1266755.762 279.7680372 289.3354627 835.2505775 326.2767058 335.575226 337.7772419 TG(58:11)_M+NH3_feature2 213267.9928 135193.0012 116494.8155 118230.7808 96661.93326 133533.1149 260098.2093 289659.6176 343867.3493 174956.4679 106530.7577 87132.87218 104517.7939 169424.8598 154007.1617 58810.7587 36259.29445 114411.7775 201103.4467 88648.78661 263614.1966 221079.2853 379847.9173 171322.3976 200419.1838 43126.71145 103738.3467 79449.82052 63908.95426 126428.1588 301710.4919 287146.5376 223222.7784 189954.5837 264451.1831 246963.0147 208381.1734 420918.939 191055.9374 141034.843 224516.8725 140239.646 151430.7867 75973.58616 88468.66426 119560.6249 52137.69051 123298.6439 118720.255 86265.91446 163093.2715 151057.1925 95485.86345 105234.1905 165867.4727 175451.4839 143598.4208 176279.7349 155525.9515 163157.7321 165793.6163 170702.0537 161761.2593 279.8267823 296.9569468 292.7569084 302.903836 308.9214049 315.8350491 TG(58:10)_M+NH3_feature2 7754581.713 5284274.063 3237884.659 4842569.572 2991175.03 3364862.527 10832101.32 12373811.76 14941629.65 10317350.19 2526955.357 2155426.584 2850032.123 3821946.417 3603223.16 1690873.42 1383648.835 2043423.279 4616513.963 2287703.235 9720416.158 6496675.625 18083307.5 11873654.52 7356368.46 1904786.276 2407408.091 2146601.193 3097681.131 3406469.251 13259617.44 14316371.07 12179515.7 11874577.73 9039539.539 13905630.95 13943120.91 21192260.4 10101468.32 7069027.741 4639397.848 3855229.233 3484813.087 2931869.828 2894443.633 4274442.126 2790774.714 5218491.832 6663134.457 4490482.163 8607490.286 9117505.389 4306887.44 4588695.129 6356332.312 6139060.554 6290755.299 6412267.053 6096650.963 6093739.004 6284533.253 6319417.671 6307067.693 312.2902921 322.304047 320.5808099 317.0695074 317.7550636 326.4040319 TG(58:10)_M+NH3_feature1 304466.258 269023.7096 175331.1001 215923.3292 130503.1839 198410.0099 471339.3467 577802.7168 581772.2447 405102.477 112887.9425 99264.80167 204484.8341 202685.1607 136632.5906 119913.535 70504.40031 123468.0355 197693.8997 108132.6096 564270.9184 522283.5037 963638.7006 608870.8868 389759.9736 77867.24869 131596.0633 111221.699 165151.3588 198690.1307 488234.0096 459153.814 443486.1367 451554.683 317857.6642 577553.4444 455207.0022 764037.1299 392367.0711 210840.4292 209436.3842 127322.0992 138037.8161 89502.82901 90431.52085 134334.6829 95336.84056 125600.7446 187926.8072 152902.3068 401273.4731 462524.3443 207932.9721 241603.1505 259022.8895 262891.9535 262899.1428 258099.9663 260873.4468 262176.8248 254349.0802 264164.6416 261968.064 500.8647119 487.9504094 512.9894031 533.8048195 528.305603 559.456656 TG(58:10)_M+NH3_feature3 1318455.731 744871.0843 598513.8278 749834.7454 524495.0392 736643.511 1881601.742 2196052.305 1501277.058 1990544.493 587804.132 620640.4568 680009.7174 911897.6426 853212.4722 337050.4403 265418.4813 626922.8966 1163248.694 437348.6828 818815.7222 957653.6829 2694484.858 2063091.106 1339495.981 329711.1171 541963.1644 480775.4672 535798.8712 695776.9427 2362442.534 2393257.279 2513018.414 1944598.588 2187823.478 2245528.411 2039442.63 4144105.48 1461417.623 1260574.142 1534327.668 1170689.532 1078469.864 740274.3318 738124.2113 1171877.295 737848.9856 1319272.345 1408679.287 1096718.589 1428221.709 1566045.858 579151.0718 595627.3259 1163487.144 1205956.418 1216006.854 1249961.601 1201514.538 1201612.107 1179626.723 1193465.193 1206025.833 275.5063159 281.9001637 292.6343263 282.3431948 296.1156714 296.9803947 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 48073.26402 39486.19561 60102.22595 61006.06994 55577.29403 80705.60436 78492.54881 67776.49036 80636.29036 77130.05204 23490.399 35714.08018 42359.01868 33657.74504 34446.40764 61538.73653 41657.39876 65819.93344 50511.18335 62491.80777 52421.23335 65870.92542 73500.9808 57306.60342 118293.7764 19032.45252 26600.70719 43816.57511 28946.84275 58105.87752 87604.22576 91427.84993 97206.57572 75954.07419 83274.56734 65589.2015 75651.03124 102653.4142 60756.68526 48435.83048 65024.03842 129359.7726 46097.52978 47552.34917 44623.03411 61197.19247 41040.61708 51869.72278 63561.05139 60320.43634 31035.54285 33122.39972 36155.74477 36779.5065 60175.95215 62391.27203 64027.78308 62164.65197 58169.33298 64295.50783 59687.82774 62005.88274 62347.80136 373.0517831 350.6548153 369.7802527 346.6870801 438.9565866 348.0765095 TG(57:4)_M+NH3_feature2 58623.54811 28105.60006 37395.69057 41979.90624 37666.7272 54599.60884 122253.6943 105320.1412 123837.9704 93385.43247 15596.22891 23526.02099 33694.74603 19733.98616 30301.88177 28623.70241 25013.77645 32818.20833 55921.90027 40284.07392 45524.49306 48000.05173 81432.4103 82858.6221 117276.8219 16739.87403 15003.18222 25602.6031 21279.43511 32119.02141 99294.37244 120154.4219 140917.5774 93669.4968 139900.2792 49175.6768 131401.9088 146114.6626 68333.70043 42485.20964 41291.05898 98673.96148 36606.44873 32671.42396 27245.28881 34749.2044 21105.44609 44080.37756 56446.81311 36618.94186 75318.00183 74765.40384 39015.36119 39872.58593 73411.34263 40881.90319 43269.41022 62576.31341 42620.55824 51302.48405 48547.35237 62916.47295 56295.41012 850.883707 826.3133349 824.2661551 839.5065454 859.7953806 829.4071659 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature4 20554736.02 11493697.82 7933423.339 12069723.14 9052115.17 9058603.287 23757524.76 30646108.55 36419767.71 24713651.73 4760349.414 4811573.279 6200275.303 8234842.326 8069119.512 3370034.702 3525924.894 5056000.554 9873069.247 5125724.162 21309944.39 13829181.22 27799389.74 24957987.84 16956292.51 3492662.341 4378210.826 4726531.69 5243066.987 6409177.576 18320330.13 30562561.15 26722954.93 25534958.28 19648615.03 25229014.81 27042627.97 43201308.23 18679003.34 15623832.86 9280787.605 12632828.53 9513447.374 5072936.545 5836947.494 10096611.74 5282671.839 7648969.516 14184999.11 8401496.048 20060513.22 21395622.85 10108433.98 10795200.39 13176304.2 14089554.51 14056428.11 14266544.8 13406368.98 12952916.42 13504522.43 13692671.04 14197399.83 1516.601084 1506.208052 1593.639473 1533.981149 1620.580248 1613.43006 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature1 38761.08215 21611.30333 26855.76439 23087.80839 26586.59784 41810.39837 41764.98287 61151.71374 45797.11957 52294.5855 25265.52921 31402.09184 45882.91825 58939.66918 29718.66957 32463.55557 26198.02173 28638.39698 44363.44482 31253.15087 35626.11061 39243.72595 46939.83703 30891.93443 56795.80908 12768.03677 22855.98912 25167.78185 31095.76344 31526.1513 38416.53199 42364.89423 55033.34103 41800.28559 45364.52493 23540.67254 26924.47133 44869.43412 30046.04914 20660.96748 37061.08684 63893.94486 44239.67602 24539.88908 17904.9662 37315.86332 22445.25012 26959.70508 40760.44915 33064.57708 68045.51262 47932.40541 28404.44188 23054.85224 26515.30351 34938.16225 36470.75764 34297.63715 29309.85 31389.46825 30130.32967 26442.54545 37734.84788 274.1655375 280.4411308 272.0633409 175.9590905 178.7488727 183.6260201 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature5 39987842.44 24893607.46 17581877.54 19430548.45 18745863.75 22891251.21 46414368 47275526.9 64785143.8 44170993.66 10209659.49 13234888.64 15186008.1 14214542.76 18791909.1 9171335.547 8809401.415 13277006.88 19983092.12 14502754.7 39563255.64 35211114.66 65664193.96 55322686.4 34075071.72 8007856.784 12367988.4 14343453.85 16442014.33 20538966.14 47966543.48 48232028.86 56976189.1 41921396.05 50764548.65 43026193.34 50355687.38 73230851.48 34896626.62 34603661.22 23119279.42 22251717.97 14025197.29 13538562.45 14238708.54 20504060.23 13920607.99 22844775.34 22878984.33 22570122.23 40585511.49 38115578.41 20974849.49 22807376.41 31345264.07 28542398.7 29175002.87 31261356.24 30038167.63 29720664.2 29728435.32 29685188.05 30513628.15 539.007985 531.9365174 545.3677949 564.7368816 531.72917 529.9280822 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 17844928.76 14104165.51 10867010.69 12254277.36 8311822.969 16185670.66 22981220.09 23777447.7 40414033.73 24865394.78 8550525.061 8631306.365 10942502.46 8087961.108 14077755.45 7781636.135 10588257.14 11643643.32 12823679.02 10583919.49 20932490.63 20546261.88 24440161.1 31785370.54 19958540.98 6186363.77 8802327.961 9430267.864 10854782.29 12043384.31 22722846.59 25157655.73 17862557.86 24144640.02 28354568.56 21737739.75 24043243.1 25524782.14 18881338.5 18308648.24 14807280.2 11547392.97 5826370.299 7569914.584 9823882 8693742.171 7859623.302 14346051.76 18226710.2 12042799.09 14116408.8 22571737.09 10495711.8 13479675.79 16766795.96 15881368.95 18951870.07 17097831.55 17979112.08 16405251.24 18005653.28 13311094.32 19386509.09 417.2108812 1325.462878 1298.019526 608.1134215 1184.132691 1255.128092 TG(56:7)_M+NH3_feature3 1611847.546 807945.2737 1036015.661 1035860.843 844635.726 1169765.14 2064008.684 2522840.726 1691951.921 2236763.826 928650.0364 1107184.043 1308338.378 1554329.096 1303444.7 778994.2469 553347.1598 987720.0709 1537721.218 820758.7941 1054319.958 1243343.677 3006912.824 2215118.192 1485179.587 518531.795 935804.0363 818676.817 911469.7648 1162450.589 2568982.525 2506058.491 2886204.252 2098728.043 2434543.615 2402914.245 2123512.475 4600050.521 1602493.365 1433189.137 2318052.623 1307224.138 1503205.427 1241691.428 1064285.687 1514252.129 1070330.436 1557001.572 1563909.468 1179324.434 1713368.333 1701944.006 801642.4575 988109.2121 1380778.032 1378506.419 1332512.494 1321889.74 1486963.962 1410656.491 1411836.369 1224541.618 1433552.126 579.1297439 598.1660954 619.4607517 546.8292789 567.6562802 530.9699651 TG(56:7)_M+NH3_feature5 37565622.81 28095599.31 21532229.62 31106536.88 21750028.92 31907977.53 65147966.69 60383191.92 77487354.4 60529993.22 13812057.15 11140521.93 13426827.43 17710534.06 19373980.47 9763019.785 10969769.6 16112552.39 24210054.53 13349020.06 47470983.46 40587778.65 56523742.55 59363074.9 47881138.37 8054986.765 11457853.74 13345251.73 13000068.08 17296843.86 60872537.8 64869134.76 59099125.23 60321173.52 52315020.53 53939616.12 64940581.37 82333412.41 45493854.48 41713865.41 22421362.91 30353447.45 17479774.4 13534153.97 14547151.07 21735739.05 13741216.24 23674690.65 31945193.47 18872717.28 44441896.79 54130913.47 21505065.3 31438403.7 29932116.82 32970561.43 33839627.45 35620282.93 35262424.8 37693112.81 18217985.86 38109297.82 33892901.04 317.5349606 340.7010583 335.4762295 401.1301578 386.0946312 414.2121621 TG(56:7)_M+NH3_feature2 1428259.255 985889.3626 285628.6307 122564.3975 474279.0982 985881.4511 2908959.576 3316900.334 4251068.798 1851701.141 313455.934 198177.2487 913729.4638 590812.0915 386729.1577 111034.4653 178702.2053 223326.1747 859790.0652 330161.3771 1941181.629 256922.0223 2883990.231 2657731.313 1677877.987 199863.8866 185951.0226 254704.3496 228322.4542 393266.6434 2839101.675 3464836.749 2071141.863 2788302.806 1540672.581 2395755.427 2667415.428 70136.70968 1992173.659 1597307.195 659583.8458 1225820.074 720212.2242 397490.1625 399465.5875 851156.6564 302088.1838 915247.5827 1079353.642 575145.8703 1421047.897 1722210.232 896020.8728 1147794.474 1442624.326 1386821.346 1349207.149 1217004.377 931527.6128 960484.1271 1255973.828 1350174.383 1629228.019 340.6973642 272.6449541 278.1102519 272.7217606 294.8037763 293.3326171 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature2 5875960.607 3964690.113 2499541.051 4215457.771 3075594.842 4216947.445 9141032.196 376405.3524 10924679.85 8033611.798 20175.65546 264426.8292 20722.68241 2082663.606 13067.59591 931811.2585 1008176.487 1723464.28 2740739.911 1504284.812 140095.6086 91222.30185 7695841.725 8094850.377 6506123.943 882622.7757 5954.82137 1242643.772 1465706.379 2126274.707 7899548.767 9146250.879 7439508.529 244868.9979 491387.5787 7720248.953 9265889.937 563305.5655 6572723.322 6016946.144 762788.7629 205084.2368 1841506.076 1492690.237 1736618.283 3019214.056 190819.2044 24863.65434 3895325.064 20435.47617 5706058.407 251648.4147 25787.61795 3844893.136 4352578.38 4972592.822 3965126.979 5179892.759 4296090.456 4141822.188 4387110.025 4429252.896 4892138.797 181.3210312 179.3215488 182.5553125 228.1491648 245.6485451 234.6846262 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 57051387.71 26785807.56 21561999.09 31624858.27 30218501.24 36533845.3 72128397.41 79931441.63 103708884.5 75580900.06 12790390.65 13179844.71 13591653.65 16004839.18 19857118.04 11019453.71 15384869.1 17436843.73 23869973.12 17984917.43 45677732.89 1045783.69 57764878.43 65304585 49333630.18 8695093.609 11389173.22 16539423.75 15377648.81 19784740.63 72581045.33 71744256.77 88225326.92 71700841.79 80237417.76 57667286.34 73231106.16 135934178.6 51753641.6 52321558.01 25262600.26 42601555 16522616.96 16368198.64 18792972.46 27035974.52 19674306.95 30020035.5 35028294.47 21458994.43 55365094.29 1275726.461 30321188.75 31099804.82 41117150.27 44632336.18 45068351.8 44520200.26 47835941.45 42860667.65 41962313.39 43594932.85 44131838.35 428.2234447 436.0173509 440.6434237 525.4276624 460.04498 434.5394818 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature1 817324.7499 578181.8274 445361.3015 354107.3258 494810.7362 446859.3564 815965.0567 779010.948 916972.3299 471787.0042 210311.7192 363730.3525 350440.2017 366891.4297 351511.4518 166225.7058 295805.8167 344514.0636 448962.7904 306321.4669 719658.3098 643908.1959 901531.9978 643915.2596 845564.6804 242406.8989 250409.2594 438974.814 331700.6821 343934.4709 840484.8238 1178307.254 741506.0374 671249.1213 529603.7549 748055.3413 939832.5224 893186.7697 787817.2702 644916.5456 377349.5866 818280.4503 545961.8336 358265.1777 383945.1198 464423.8274 300197.1912 543304.4603 654867.5546 442376.6594 802514.3914 726283.7529 570012.7278 570765.8293 532929.9988 575075.0387 499319.1812 618983.2697 598857.4968 648795.2188 641391.3553 489979.0984 536078.9583 399.216899 383.5524208 412.3225472 256.0336817 256.5176829 257.4403882 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature4 14727360.32 6397232.782 5266962.924 10416260.38 8910012.375 10428678.84 23366622.14 24541694.92 32766194.99 26256552.61 3783532.295 3461289.066 3525038.137 3181281.657 6402733.847 3672157.672 5553309.876 6517456.307 6859448.2 6560312.964 11458380.33 8310236.56 12345157.27 17946203.5 16602186.86 2869483.572 3497098.351 5721306.102 4060390.749 5552226.274 24332643.91 20666519.89 27648633.91 22183790.77 27034473.28 14448783.24 21836460.83 47305691.11 13959735.08 15982966.12 7990139.483 13873522.43 4035080.713 5326680.657 6153674.491 8220764.183 6442610.276 9939056.909 12614237.39 7492125.123 14698754.64 14817474.25 8547477.455 8026798.259 12845404.94 12295075.95 11644741.36 11728907.38 12342602.23 12341988.91 13035347.95 12147219.39 12013403.31 2007.334208 1986.176814 1963.819917 1989.873621 2095.523504 2024.797152 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature1 193949.0299 218193.2592 180412.8108 146453.5716 127045.3452 160920.9642 106243.8116 170545.6252 190947.5459 212917.2654 222384.2813 253062.0418 223687.8186 241313.2465 263871.2847 152374.0896 161651.3773 184900.2155 269518.04 206172.2521 167631.3151 139071.2381 183450.7665 10199.90775 161551.4704 157814.8967 220317.158 188170.7382 216327.3053 238120.4637 177401.8527 114768.4499 210543.2714 196911.8059 228649.4468 218837.4867 150098.3628 129354.0291 176606.2953 205194.4408 308300.6972 212089.5355 264112.0076 274206.2315 236131.2919 229164.0355 259354.0772 300968.9451 299434.2663 321178.3344 194806.1783 199615.1488 133458.5608 164707.1489 135175.7018 183584.4107 208827.9922 210185.0198 224651.2919 193803.178 206290.1789 162525.4787 172944.9801 502.8260624 509.2903505 487.3416236 332.0366378 323.2722391 323.9361208 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature2 688385.1191 584734.4466 421977.2406 549683.4893 472803.5531 245130.9687 676484.1943 691920.0879 742346.587 579745.2684 283187.8137 340539.7134 353859.8448 318442.745 440510.6695 142459.6302 343858.329 275953.6212 409028.4861 372642.4028 639557.4237 545984.0596 816565.321 581272.0371 877620.3864 312959.2607 250517.4768 433706.7661 330372.6899 302604.5799 790809.2176 988119.9742 627358.2162 720494.5221 524136.4165 726403.8209 818178.3389 652319.345 803477.1658 776520.8888 330696.8395 913965.4424 451779.5827 279403.7253 321045.7504 407767.5779 319102.0286 465591.183 467808.8644 372617.2021 573024.0527 604561.699 469699.0736 601867.0602 459722.5929 554868.1681 612122.845 683988.399 640539.2131 591202.3538 604300.8083 493142.0158 568576.4177 631.2197356 2043.908796 1724.730423 435.1022226 952.8785392 844.2736344 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 3518389.672 2219691.963 1933187.249 2640654.578 2245190.274 3129261.437 6576078.496 5517579.505 7648129.964 5676794.254 2076506.828 2169397.001 1881570.308 2538981.07 2401946.408 1377193.252 1536544.194 2640110.401 3602405.95 2459543.126 2644381.663 2634799.505 4250953.726 4208693.727 4414431.919 1321064.911 1717068.733 2345349.048 1678552.702 2458717.205 6607079.936 6423960.544 3453200.873 4484245.729 4638877.598 3883143.085 5540784.107 5876934.379 3527528.773 4014742.152 3760015.994 7415280.66 3057962.06 2668839.419 2475219.196 4024169.81 2385432.811 3498260.881 4828337.564 3860956.65 5159508.57 5155053.758 2346360.707 2354291.441 3497596.653 3524366.265 3710317.146 3572396.028 3947847.422 3791453.074 3484535.923 3324067.109 3707726.483 424.3335445 439.6128638 429.1093635 447.1729587 458.3486531 441.3807029 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature4 4087723.437 1982547.932 1733251.963 2033061.928 1993132.461 2215105.108 5205002.326 5328350.541 5865916.628 4583460.929 1110338.824 1437127.208 1364554.855 1521703.49 1668076.908 1279417.507 1461191.949 1685360.997 1586951.034 2375455.294 3095469.421 2898126.134 4837031.379 3631312.23 5452108.905 884262.4356 849534.1108 1857647.45 1433173.163 1557685.651 5426418.36 6585339.036 4026525.524 4749776.93 4325480.405 3919930.549 6289494.348 6501543.548 4091159.778 4663080.742 1826165.501 5638199.672 2471832.472 1222114.015 1493311.829 1855989.361 1319298.181 1921590.461 2696760.896 1604876.199 5094126.69 4925902.148 2837463.495 3961372.195 2903746.134 3856434.449 3047348.365 3025544.696 3231961.036 3174373.006 3239892.646 3144643.146 3352918.17 450.2070131 436.9974048 412.3403371 510.9005816 469.8113434 485.9092335 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature2 778130.7453 569906.2603 407718.4567 562181.6945 478726.938 334706.8088 659413.3292 812044.803 678271.0155 490975.979 459711.6874 513781.4331 368919.7798 497417.0293 413191.0529 377506.7731 397032.8418 386876.8704 433678.0374 518835.0696 706684.4295 576475.5378 729611.8138 588495.7837 774802.6239 470429.6074 346263.9247 566809.0504 450211.7189 462789.2958 909886.5028 978605.4649 574233.6325 647929.9886 518887.7007 694538.2398 829091.6029 661532.3446 818148.3635 692995.4254 401948.6238 1019101.651 585224.4382 374405.5724 483225.8128 436837.9563 439312.7067 471470.0512 536057.6547 429321.4082 632009.6269 860354.8092 548868.5355 574591.1393 479037.2801 619038.977 675614.2456 622694.9199 636275.0716 569002.7349 603719.126 581408.2269 589910.5902 335.1253629 359.3791762 366.1184092 209.2561444 253.5063507 225.3742668 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature1 144233.0186 130359.7895 115724.9817 130456.2363 124729.4606 117290.3582 148007.8811 161383.0837 113356.7416 155871.7689 165076.4063 203656.8712 179794.1428 213691.042 188833.1881 128504.6346 121891.465 141629.1284 221272.9619 146745.2448 115222.1681 89128.23392 114610.3477 133683.9338 116668.8548 122473.234 172508.7353 147547.7202 149541.9797 168528.9167 145212.0029 134083.5486 164037.8955 144967.3591 194984.8209 148969.9324 117079.0513 126663.1771 134808.1523 149007.2179 256118.9303 168406.2504 230157.4151 169691.4484 181071.6137 211838.5891 204727.2413 219779.3948 7570.331931 228214.2567 125155.2495 125392.6217 90021.28967 81667.38719 107066.5097 145553.131 156451.7393 174074.9141 152952.4115 134162.847 144708.2494 144130.9679 136093.9488 389.1778449 391.5020892 387.703225 236.9162694 244.9303271 230.1156012 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature5 374648.2281 182496.7305 185355.2102 358368.2926 426532.1946 445219.5888 324528.5889 355773.8487 338590.9409 369389.5915 172676.4562 191274.8781 181803.1815 170304.5148 363816.3246 157516.9271 191884.1826 384996.2461 390746.3211 218365.3447 201035.1113 426088.3434 394666.2262 273646.9351 536286.067 162545.326 155162.9517 271222.0695 177073.8442 406703.8911 432642.1366 434647.5704 285679.09 340327.9032 181875.5771 322191.255 376653.4547 119916.6229 431596.6371 343167.5821 387546.4812 349803.1156 228043.1701 147637.9548 190064.9033 370758.6574 188012.581 169485.4399 334537.6798 372912.8267 376257.4547 398437.8028 181895.0482 395676.4345 265212.7723 378170.9085 400108.7664 415800.4871 365814.5253 389912.0069 318682.2338 329088.4948 376443.1287 284.560223 294.7899663 276.8337011 169.0072792 177.8033602 170.6273416 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature6 280197.1882 195180.4068 226954.9062 228131.2367 205397.7732 394566.1611 423032.0604 347896.2014 453243.2593 303494.7843 138373.4996 247793.1411 172248.8974 211331.255 201255.5516 165400.1979 152663.3647 285600.613 383562.1245 237138.7316 153785.2305 275486.3736 302880.6845 266407.2803 311443.1741 95565.68878 173715.3903 198522.6594 179026.9497 242640.5617 385786.3357 413394.9401 423097.5631 381778.013 418312.6807 369437.2039 389959.7693 620027.9993 287703.6081 237154.6444 386760.2039 543239.9058 396091.439 284209.3568 199736.4337 338148.0583 226854.5501 323065.2478 430233.3404 330860.6956 331536.3759 316670.2843 152365.6616 209015.5783 276394.7483 309084.2294 261981.1467 255235.8224 265216.0724 289352.2516 298859.1071 273842.693 276431.0634 303.1839599 285.7142187 294.5806402 342.4095304 396.0396334 339.7480773 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature3 349792.097 198694.4914 163586.2403 194003.327 177543.0572 248618.011 697012.8549 528184.279 776771.4036 633665.2846 199695.8734 206883.7706 179482.5739 253409.3606 229463.1554 123159.3838 163435.9952 242701.4368 380836.1247 222650.8077 229141.199 217431.7405 380960.967 359128.4979 437095.4782 106597.6566 160094.5123 213489.1137 152826.2608 230963.478 704754.539 636672.7323 827174.125 431873.7217 811440.6703 352149.8925 583846.969 1171062.287 342015.1755 363280.6325 371824.6017 813486.7548 308778.6998 277907.1951 211407.2758 412901.0319 220719.1126 336712.9207 513351.7483 401555.8093 534070.0472 497141.6325 201244.6804 197213.7297 398022.8138 307138.3934 356576.4559 358022.2043 326329.8752 369856.2028 376982.6322 372981.8108 329436.453 232.8901017 239.2442317 235.9513037 253.7854876 262.0834014 245.7607341 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 2405426.583 1195980.585 1447548.362 1440276.299 1453798.65 2264859.265 3815969.008 4248574.714 4666966.012 3534063.311 857811.9625 1394132.189 1263140.486 1256316.607 1375670.37 1488116.846 1315265.686 1784974.59 1574038.021 2150594.922 1664016.528 1807055.389 2306990.228 2302631.309 5350586.556 605590.8821 706302.6948 1491449.269 1060586.891 1547299.61 4672864.515 6205929.76 4169205.337 3353835.474 4514933.554 2076444.096 5693450.653 6683900.365 2848481.986 2492653.611 1898000.867 8464584.115 2040478.91 1238167.702 1128534.48 1727244.846 1213821.121 1660272.151 2407513.386 1544090.853 2723780.869 3006928.881 1691546.249 1930618.526 2372644.23 2330826.891 2333549.361 2308037.388 2341340.933 2388010.747 2379076.529 2347767.314 2309690.978 679.6080069 710.38943 809.2596965 727.4890895 746.1084046 714.9907991 TG(56:2)_M+NH3_feature3 507566.6103 300944.9907 463298.6458 402817.6569 383780.26 585855.2391 808346.1187 749972.2264 1182805.892 751801.3554 233631.8744 415320.9091 374914.4356 263703.6564 377747.166 470372.9986 363336.2026 590796.7035 447561.7458 744033.4704 386588.6601 564466.9538 581370.1881 521248.2714 1770661.082 167291.3185 199924.812 433338.2229 279740.1322 497217.16 1192092.399 1654362.457 954226.2111 731746.7159 909842.5052 498390.4114 1103074.94 1270665.793 766200.0402 503563.4496 590704.5277 2953136.755 550869.9114 337448.8748 327027.4628 544595.6524 386603.6676 492728.6698 692993.4433 562340.2087 437199.1101 501245.9536 362414.6836 433409.6453 592683.74 610219.2515 639788.4505 647165.4293 596142.1611 640815.4085 622182.2194 618110.6601 594111.416 325.2562027 324.2422751 332.6169184 369.4780399 413.4560138 372.1901247 TG(56:2)_M+NH3_feature2 767003.5787 443648.0112 402242.7547 501406.3065 595808.6904 636904.139 1063200.565 1179307.446 903553.7633 359211.441 458370.4924 745940.8242 611161.9669 614177.5679 582963.6951 591801.0002 624411.1289 695224.4105 692335.1835 823638.5591 576681.8305 629997.5301 609904.4144 675398.8775 1317209.382 330257.6134 375230.9518 768175.4871 511589.3652 752031.6462 1145592.271 1143313.537 805753.7946 847139.2721 1040374.341 566406.0226 781720.8141 1110763.068 817960.8561 766035.9792 679607.1545 2148770.179 837090.5164 665995.1161 590340.5575 823747.5703 539798.4152 614121.5906 764569.0841 734995.0042 601611.8151 794360.0703 593514.6429 654979.4368 600972.8217 811176.6377 868373.989 876280.9324 754176.5668 718640.7622 874728.7 775620.4234 680943.0116 290.2093857 266.4191611 279.4793828 242.0630857 247.4968348 232.2981723 TG(56:10)>TG(18:2_18:3_20:5)_M+NH3_feature1 350333.7115 310955.571 230510.6399 259404.5224 125016.5811 302394.7075 614953.516 607981.6361 393343.571 490840.812 194518.5298 201459.859 399755.6362 415358.7744 209135.3581 189091.864 114442.6107 232398.7253 396643.148 198813.4539 543959.0694 622515.3155 798644.3997 594211.7332 424197.2605 89004.1321 222071.4072 181764.7551 220750.5906 353139.5456 466195.1127 464367.7762 494994.6914 448066.7746 373314.652 440610.8114 412669.5172 829266.8121 376408.5041 152668.1379 239301.8564 274706.5649 313222.422 159951.8883 83585.08144 267512.6649 127638.5022 149228.0522 400311.0215 276287.875 627460.5084 792447.4826 205798.1883 271920.2102 324404.7016 334227.6831 398987.5923 340793.8307 338975.0873 309633.6345 335534.9739 344082.4605 361215.7532 311.2778974 308.9846495 346.4695932 368.0240097 390.0172021 403.5841381 TG(56:1)_M+NH3_feature1 66878.15828 54272.11517 46883.08795 61251.3437 60305.61692 68234.93089 84212.9576 96495.6031 131932.4972 71451.35169 52404.57347 106531.0353 89602.94152 57635.16688 34041.29144 83691.15331 56121.96183 89703.22124 56794.96799 115739.0101 42669.13782 78651.92853 55003.71532 28102.56479 167701.6282 30849.99716 37032.27811 127652.5585 38138.03681 87807.9637 140431.1283 3804.812438 90951.48369 84405.35953 80108.51124 48024.72317 37548.51373 79028.08921 78829.52389 45841.90619 107038.2127 608322.1173 102051.8029 63831.92874 51780.55793 59744.60703 61966.27446 63079.91258 66291.17117 71562.71121 72340.35963 34180.71971 45472.93033 63143.69096 73303.20694 77364.50896 83056.62576 85028.19974 91893.09973 78829.51949 76748.43076 71648.26393 82952.87301 216.242382 215.1350303 214.0070343 211.9211262 205.1812107 202.3960588 TG(56:1)_M+NH3_feature2 81803.62158 62607.48591 92801.9122 82101.1742 86390.96828 124662.0753 130855.5945 109298.1678 145291.9879 101038.5902 42048.72438 79958.70387 74571.45006 51593.39716 62371.10309 95035.85226 67260.98401 111809.5163 82712.24395 101863.0041 78126.43792 109853.3728 111049.7054 77982.56013 240507.023 30835.17795 45059.89654 72344.95318 49276.11238 97575.16709 182370.4543 198830.6723 149890.3537 123008.9184 123953.8182 99170.12798 124039.2425 158425.034 115722.9705 79821.12469 109361.4018 354455.6811 86454.49195 71547.87536 69568.7801 93488.41349 69331.018 86265.35061 102251.8286 108972.38 65222.50449 63971.07106 67720.23253 66692.69658 94260.5729 100685.3793 103718.804 103970.5026 95803.69855 93954.61055 94944.09922 102353.5426 100793.1974 307.9157991 315.8223433 309.8236007 288.2203939 367.9571282 292.2047147 TG(55:7)_M+NH3_feature2 1216611.625 621561.1398 514106.3848 674959.7049 633817.0143 938290.8317 1583560.262 1726307.275 2425753.962 1833343.762 236560.5673 299624.9908 404751.7672 438293.3528 377867.1676 286124.8902 261105.5794 394704.2972 514768.0345 387800.7084 1490527.172 1571801.429 1479116.336 1671150.563 1150575.593 174535.493 260962.5663 335791.989 352731.057 511733.0901 1542728.972 1443247.944 1679671.929 1411514.769 1623036.082 1002665.116 1225425.352 2292805.291 1084981.245 946175.232 523145.3102 606907.1131 343066.8751 306458.6325 307018.4623 498343.9468 342802.5284 467313.242 563562.6146 452367.0841 1730937.505 1964152.852 979536.2832 1025908.101 888131.722 907255.5453 867890.93 897165.8222 910701.8994 923003.9205 897475.4987 896764.2845 872054.6543 840.0905835 1577.673879 1284.239633 2889.244901 1461.466028 1795.468239 TG(55:6)_M+NH3_feature2 690839.4813 684550.1708 614560.6101 1199572.923 421030.9253 1363571.098 2000503.627 1764387.63 1994797.969 560480.7729 318913.9145 504244.5353 412683.1685 442025.1548 636612.3339 408038.9902 531014.3759 498953.4425 581779.5069 635866.7139 915780.3343 1044159.696 1844869.194 1563561.355 1115394.4 225749.3051 449890.9157 416577.1861 379778.3278 555812.3283 1148147.236 1190222.326 1534804.722 1696329.696 1837760.586 569785.435 1511968.532 2037934.985 835664.5207 363864.3467 625681.148 839754.6375 549062.4465 454730.6548 408843.5048 830752.7954 682747.0261 848448.6332 683343.0883 650026.3201 1326988.026 1391984.781 1245855.49 1506252.899 985012.7182 828687.3768 916292.4467 775071.9059 868915.9387 978172.7601 860154.1229 957402.5675 858995.9665 546.0574556 1059.950788 1114.169978 620.3990743 1068.771769 873.7725841 TG(55:6)_M+NH3_feature1 1415084.958 1004431.103 614076.1603 1200521.33 643615.4402 1344539.595 1988067.918 1805299.535 2001167.076 1774476.165 431706.3732 510956.8741 543492.2423 449877.0171 639680.0554 403295.7488 528942.8213 494312.2067 849509.5731 648880.6833 1794631.061 1030398.238 1871052.742 1662738.664 1384400.474 288421.3043 541786.8641 674679.3315 531193.2954 566687.3802 1159446.102 2068408.806 1577451.784 1683169.289 2683379.422 1624804.211 1495564.754 2115682.141 587650.2652 1208993.605 623725.7831 858462.4626 546072.1596 466944.9788 413928.1395 843278.8839 672152.7011 851845.0685 955136.7537 660408.4646 2176976.009 2378146.236 1285156.512 1467429.133 1019795.534 1393511.432 933396.855 1312247 1276030.129 969830.8879 1304614.131 935012.343 1277289.706 991.3048489 2755.169309 2241.160175 825.4030321 1815.215563 1640.362247 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature1 91076.41564 64733.92032 14310.01082 38026.76838 28715.39584 21976.47569 56118.59522 48950.34909 63430.53029 43831.85208 18051.85263 36924.46935 23188.0467 45776.86648 55214.37838 15934.76322 35503.31291 15378.61579 48968.83212 32215.8865 50462.11029 37280.93082 47792.43588 60466.23891 37072.00757 30334.58779 19319.37458 26260.05505 24718.73328 42043.75206 44888.62801 101634.7015 68337.19643 57521.76768 32686.08272 55274.09095 70140.53687 105952.3449 61127.86001 27636.5995 18547.33081 82056.01074 43111.28908 41506.59379 27257.27887 72319.52978 25367.49088 29221.80395 47286.27859 74918.04005 53030.17568 45401.17984 44374.66652 33257.59062 57750.77809 70352.4181 73016.41631 40499.87446 71999.91435 63887.22771 81654.12155 47706.94992 64282.80597 646.3169748 2196.301988 1783.339453 580.7479138 1275.189777 1150.57105 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature3 682530.4558 322466.3068 311931.8168 439382.4833 451108.1287 751499.8445 927750.3728 998848.1683 1097134.371 974967.5221 266290.5111 238669.8708 307217.8056 222009.7199 362657.449 159235.0614 249432.041 430965.6122 272928.5811 289463.8387 555536.2061 446440.0415 694966.4031 705048.8002 582850.244 171184.945 75298.69082 180545.5441 107672.8503 337819.7648 912120.6091 980753.02 1028013.895 755825.0832 838441.4288 577471.7659 757389.7402 1195634.437 567039.4869 552000.5857 293189.1398 70028.32724 383878.6306 488571.8033 202928.5622 498122.5527 370047.6945 411458.2732 376777.8392 447177.8849 837484.8763 772869.6796 493999.0734 724073.4829 478157.4023 366802.1581 485403.8891 451887.933 447102.659 445489.5523 464107.2088 434169.0713 436138.8587 525.8231317 568.1156195 535.1292711 483.5391115 456.5472549 460.069107 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature2 363626.8379 241086.4736 171787.4649 243655.3954 265552.7576 281659.4042 629605.405 450029.0056 1117781.083 418919.2734 152591.7514 215872.7449 263559.6962 245694.2393 226541.8639 226227.8006 160435.5113 172189.3594 196031.8904 168035.3968 348196.2838 294432.4978 259180.7053 387379.3632 395814.4422 88250.90076 112071.051 206690.0144 205557.1878 186610.1951 430625.8773 1012517.978 365296.4272 260349.1007 429966.5653 315379.0615 401385.3991 1179303.969 267938.5432 333200.1682 450140.5559 986371.0058 223001.5108 231817.5282 225216.2971 203480.8712 200094.1007 94066.37274 304016.7362 295728.8644 420435.7829 445949.1081 268799.7389 288120.8812 307409.0551 357619.4211 262210.9957 309324.7349 281868.9396 285083.9066 247847.2081 342567.8455 336427.8652 666.7772814 678.4730645 681.5520976 646.8586099 671.6318354 633.715057 TG(55:4)>TG(18:1_18:2_19:1)_and_TG(18:2_18:2_19:0)_and_TG(18:1_18:1_19:2)_M+NH3_feature1 426258.0338 99410.76444 162275.0748 307234.2045 216121.3161 358300.6564 870701.2357 780149.9 1314873.982 731990.5491 63702.72861 64391.33836 86782.58442 90796.27763 83075.05424 95379.42681 90145.47435 165462.3542 193587.481 238877.6208 295699.6028 307514.0103 455625.4974 643709.9815 985111.6461 39898.4288 47534.89812 122260.8742 67915.61652 84223.44988 1054199.315 1196800.051 750738.0602 728363.7542 792483.6229 452182.998 1023742.205 1410390.273 584958.761 536915.2226 113249.2462 1441106.864 196907.4897 103905.4636 84896.43137 212600.7286 97987.27369 164600.1908 297282.1793 119864.6806 790689.0163 760683.7654 340597.1386 300563.7726 369246.708 441457.9665 482073.9492 350279.7119 338096.0821 474729.5072 432752.6707 446417.9429 357033.28 393.0768361 381.235653 421.683516 449.8746159 449.5650579 445.5584504 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 140961.8859 38112.88474 47639.54406 62652.85625 70785.54824 99595.15558 83606.12981 196745.7489 353646.3995 269212.5633 19661.72997 27166.62149 8622.38619 28675.40378 40354.59716 27108.05697 34904.90623 17394.24814 37424.52093 80098.65223 98574.80212 72018.31634 52810.78132 158997.6684 185839.9679 17686.97709 23397.42607 24776.36824 18807.4503 46210.92806 328822.242 225655.5206 285171.4879 56719.36229 234371.3847 100225.7392 184168.8016 312813.8483 52214.26244 123640.2335 44785.46007 173328.1877 39100.60383 36095.60726 33006.00722 49789.66901 31452.21607 38250.18501 63017.92507 45851.55722 344391.0809 149364.0242 119046.1351 91443.26417 63707.81091 101314.3029 51966.3771 91821.6715 97424.46725 66838.74256 91026.21354 63514.67759 80065.50708 363.5132802 351.5541377 330.5033665 303.0282629 311.3135524 297.9618486 TG(55:3)>TG(18:1_18:1_19:1)_and_TG(18:1_18:2_19:0)_M+NH3_feature3 458146.1045 194866.5457 264161.6329 270522.016 265540.1435 399117.7434 955139.1858 840039.6919 980698.1698 879331.974 139403.7382 192694.0403 233509.664 198258.921 229325.14 256897.5583 225839.8376 222601.3093 305256.8867 410047.1585 423325.636 431501.2322 467028.9333 499408.6345 1205579.821 92832.62043 120680.2228 286611.683 150191.4222 252351.0024 1454483.927 1473394.894 798838.7284 578231.9722 943001.5218 417493.1289 807005.7034 1359558.134 695745.0251 532141.5931 339405.1161 2148942.293 369330.9096 230611.9891 190168.504 380929.719 220597.3733 268052.3903 483971.3901 282456.2328 672226.9614 717636.2771 361484.9913 421782.3039 469402.2032 512113.2033 525877.6283 444084.1632 510699.5235 503228.5673 552261.0416 469156.4936 469994.01 483.7027176 508.8380968 494.2754858 554.5271431 558.886778 554.9643088 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature1 8321.971245 2764.592732 2928.928504 14842.54115 1896.814262 3840.967168 22653.58982 22071.87398 29123.43321 14510.10182 1604.350762 2734.243443 1391.389202 3676.631842 2165.804413 3289.439708 1663.968772 2561.643429 3658.225638 4833.522948 5206.821243 6520.719695 11722.1178 14383.5636 46799.4283 1412.45226 1284.545782 3307.92414 915.7953465 2097.374358 30297.70587 38931.73133 16683.7968 19088.32554 18706.25162 9389.497947 24998.72481 30148.34252 14220.0964 13188.16947 3074.377716 54104.30602 4987.655548 1673.18646 1157.302313 3638.894802 1902.638645 2747.077335 7170.056283 2562.270842 13243.82537 16981.21242 7995.681834 7046.367365 11080.60277 8767.844434 9030.010099 9040.721102 8588.588029 9284.787549 8477.97091 8978.047914 11875.4808 144.3050782 150.3861424 147.3582552 237.8697773 246.9308033 239.2726738 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature2 99614.61759 59884.61255 80870.49451 80569.66045 104726.7317 167679.6316 338424.7012 285407.2166 454207.7168 297919.8886 65884.52703 103603.9784 111339.0605 78644.5112 91614.16949 134772.9996 101708.8541 134195.0967 75939.71771 127210.5917 72743.4982 129202.8695 110317.4187 116282.2082 771862.2261 42448.89532 40326.84508 92066.30751 69003.86537 118257.7235 493372.3678 647119.7427 295525.2983 186554.7402 347559.0459 98234.10409 207004.8054 300421.6363 147740.4352 166618.2276 114147.86 1007094.938 195769.5758 99551.74669 77435.88941 94805.22151 126928.9705 128633.3591 132274.6348 135021.5627 144836.4301 184504.6076 80300.32317 126978.7565 146902.7072 119367.7201 119813.4747 130480.9416 150705.4651 133099.2244 138193.7111 133097.8325 123575.5596 358.059819 366.0867873 381.8842611 478.8748391 486.7525054 472.2900508 TG(55:1)_M+NH3_feature2 35766.81756 17337.84045 23509.00502 25135.4298 27054.57109 32407.53322 46758.38832 42030.9501 66376.37888 32838.9015 17880.10504 24723.19666 19625.27784 17654.47697 15136.53655 24490.20433 16209.98423 26251.34326 14330.71449 38421.96662 19651.08453 40271.28556 35580.00417 26192.08695 135949.0643 13655.97311 13985.76875 29803.11874 13237.27088 24931.27949 76920.97613 111935.1142 46512.1059 34791.17492 36019.96254 27619.52152 40939.26397 50318.11732 31344.20998 20753.70272 34217.87954 137828.1557 32198.08316 21488.30632 14926.82247 18918.37699 21785.43026 21563.26573 26701.03376 22250.32821 22335.93278 21721.3528 34401.4438 30083.76768 29316.37009 32351.35948 33352.01435 34849.53648 30754.98594 36406.61866 28782.7077 33009.01031 31021.11679 433.4540016 419.7855613 427.596388 409.3500297 417.0436075 403.5118538 TG(54:8)_M+NH3_feature1 768464.7345 562238.0011 453178.8838 510223.3963 397830.3878 818360.6049 1345064.433 1364314.572 1589460.48 1160861.31 385851.988 446842.292 892070.6454 1109259.616 425477.6792 544740.5895 306255.497 588621.457 865889.3644 507097.6844 861844.1397 1093420.547 1398486.457 1009344.25 891917.8716 143308.6464 473234.0383 398261.3012 461674.9644 770610.0404 1009534.772 1044479.529 1117393.01 1076097.396 1054118.393 777962.4243 903455.3649 1636400.658 715886.8498 478812.8859 995616.6273 914679.7253 732714.532 413728.9061 332928.6113 686576.2996 377397.4352 570241.7499 841669.1329 703631.8054 988620.0546 1463797.996 441711.4129 552788.1255 732637.2344 702450.8571 798089.1071 710808.3511 763869.0462 724177.7883 709198.6688 743311.5438 744165.7057 514.6639108 532.5583916 525.1730482 637.577698 646.1197956 668.9091677 TG(54:8)_M+NH3_feature2 1656694.063 1044248.624 886798.9799 1105846.028 886395.1126 1668568.85 2043621.808 2329330.204 3396622.044 2660027.226 535903.1001 584740.4516 1015370.098 970369.8768 734003.5462 639316.1402 513939.0449 741450.084 998068.3209 692753.9863 1928042.647 2205808.235 2368470.416 3071248.728 1830708.309 264435.2948 569686.0723 549775.7966 707577.7361 857321.0862 2210800.947 2128901.247 2218734.048 2202429.187 2277578.019 1523119.031 1721132.941 3083724.048 1469063.136 1232061.277 1249713.877 960270.5081 835337.7289 484020.0971 499487.8463 868370.1586 631106.8401 709377.3893 994243.773 716491.1532 1869024.588 2172526.338 1048861.497 1273678.761 1628969.556 1169420.413 1208237.137 1310581.947 1217608.041 1291763.895 1385107.173 1412936.658 1371043.987 315.1225842 334.9967472 330.8365102 390.8648194 399.4187391 409.1678828 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature2 88019.25644 56318.74594 47444.25324 58336.17642 37096.57374 91115.81216 100419.7022 128250.118 179208.7071 136823.5984 24634.78333 41699.96161 36546.92659 46805.09745 31759.6416 27913.68723 29725.01348 37189.68469 53410.97256 29697.587 98693.08168 106438.6721 121749.1802 166437.6891 90644.1237 15515.46764 20216.59209 28934.16223 39321.6423 41854.65729 104276.0786 99803.96516 113480.0091 107337.7846 119384.5107 81976.04275 83337.60686 160291.6901 75836.34223 66326.30078 59486.91205 38348.13072 32309.90734 20067.66278 22297.16466 43384.05874 34104.68058 31857.57703 41274.40889 32247.84145 86703.70216 103615.1374 69273.45534 66091.53066 64824.83779 60731.01114 66664.50297 63542.76932 63581.4465 65979.09356 62589.02674 65081.48466 62755.21111 170.7506417 173.8819087 166.3395202 190.6531543 195.4875482 194.4002778 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature1 172307.6778 110950.8069 95142.49862 132662.9124 37565.61153 166700.138 287571.4174 267226.622 337133.0306 253064.1093 45460.47807 87732.50663 139936.812 47261.25266 78958.67901 96913.71249 71828.26678 99804.80286 146019.9716 104849.1496 211580.3927 204672.0189 131420.518 271342.7439 181186.7058 34454.07879 78071.83275 76672.51375 103220.8745 144699.5988 202635.6554 189611.5007 240196.4612 226904.0137 237616.9836 165044.9811 74541.14705 347664.0976 143359.6933 119134.1992 158140.1363 185541.9843 111310.6083 72360.72424 73937.84273 125919.4102 33741.54483 108567.8674 131055.0661 32536.15026 231234.8755 255660.9685 70310.12039 122538.2139 145090.2067 165867.9591 80161.328 143207.9637 139283.7479 152413.3583 136610.1848 138438.9627 134483.0639 602.1726909 619.5725695 610.2488786 665.5218851 673.2805637 695.8286081 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature3 3379041.369 2171111.957 902468.8205 1908780.248 1570773.202 2123296.754 4322820.354 2152577.419 5950086.306 2957621.921 1119270.613 1385213.758 2022474.002 1906647.056 1402072.35 1059852.317 942784.6011 1376092.147 1868358.479 1779177.741 3317611.954 3411672.967 5285054.805 3827405.016 3410881.038 439989.7908 993310.8809 1338078.039 1544463.536 1943304.916 4466731.568 5298642.853 5014154.253 3957181.774 1986190.124 3132207.169 4060332.96 1997516.572 2882024.905 2179456.834 2346459.312 4833895.057 2127438.516 1593073.335 1415691.926 2536764.315 1207493.666 2267788.17 1548117.267 2246453.765 5919394.479 5697414.289 2433955.246 2177120.912 2841300.892 1763443.431 2775204.675 1736452.591 2589257.47 2586046.591 2520156.849 2327388.99 2271123.381 298.5328946 307.5535669 298.6627417 268.6241117 266.5594213 273.3729712 TG(54:7)>TG(16:0_16:1_22:6)_and_TG(16:0_18:2_20:5)_M+NH3_feature4 16904238.3 9722060.98 9449651.209 10167944.6 9167013.2 12975690.69 21997637.9 21979154.92 26865352.54 23770560.3 5323589.529 7791355.257 14023216.35 13234671.17 8448359.029 6828506.131 4995104.088 7581261.353 12368106.63 8532898.916 17904194.45 18851266.46 22117423.97 22162486.15 14934560.68 2921073.744 6370350.218 6161213.505 6698101.798 11125888.97 17741099.01 17550660.25 21896163.12 35802141.34 21399389.89 12426993.1 13672097.25 27618191.42 12082998.56 10709070.16 13656373.09 12759834.33 11257314.51 6655623.948 6261402.514 10927662.57 6474033.971 7953079.075 11919462.31 11226561.24 18354945.11 19350271.22 9316280.109 9625066.74 12589625.38 12702487.28 12545233.33 12376549.52 12460730.25 12371590.17 12157861.19 12216711.63 13220020.82 331.396218 343.0257819 356.0002913 362.08279 351.9434566 352.8323681 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature2 470864.1621 277426.0199 227190.04 293791.5037 325098.448 357983.1057 1304660.766 954130.8605 1074665.241 805664.52 126107.171 136864.9014 159217.0058 252510.7365 198395.1211 138053.6226 84302.90842 154043.2446 346549.2119 175177.8484 652080.5431 468149.0482 740696.7851 728800.3288 393096.2534 61237.11555 108283.1099 127669.2899 119265.7293 211816.9941 701325.0618 725896.8805 902389.6417 614110.8115 844208.6454 448028.9411 464261.4948 1417114.415 440878.0792 332296.6318 350049.892 463627.5236 226213.8084 151318.1643 130816.0459 226758.5825 149129.8418 243992.5466 382608.0511 261855.3316 722763.0531 850000.6704 318359.9402 300343.0984 357669.7035 413831.3847 360209.6873 355089.5634 369480.6453 335607.2865 395927.9479 362759.3076 387925.0781 477.4391051 476.2189722 507.993838 589.1789924 562.0358483 560.3288004 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 25207974.4 15578359.05 9800444.299 14413839.18 12880494.98 13460682.41 35854617.74 32361245.26 37810810.05 21040559.07 6114053.068 7762847.529 9955003.346 13691922.06 9891191.766 6275759.713 6270964.754 8598855.957 14264881.3 10501041.55 23662740.67 20452769.89 37291978.29 28136805.78 27765272.85 4414415.036 5562787.252 9318046.677 7993218.403 10949402.65 37379704.62 47423272.4 32772403.74 32936673.72 25800554.33 26683524.45 36060754.14 44895112 25278236.77 20098225.01 13745110.89 47723940.8 13401822.46 10188391.33 9330701.529 15206906.6 3659280.734 14126810.63 18919774.24 12112465.96 30724263.33 35141436.69 16245233.08 15596787.72 19480209.99 18727014.33 20125073.1 19637970.76 19696065.44 19960549.49 19151941.18 18808668.94 19832422.06 1362.943254 1273.227822 1320.123192 1364.019662 1321.837163 1491.145422 TG(54:6)>TG(18:2/18:2/18:2)_M+NH3_feature1 356875.0756 237646.1184 146078.4343 205964.8913 134401.5145 213906.2038 514063.9309 1250858.235 699255.5338 326807.9966 120966.4518 133987.4553 347236.5784 272502.0972 124626.298 110642.0256 96925.74814 154396.9821 251823.2712 172584.7727 391758.8647 404546.7857 599833.2295 467871.7042 415018.0736 65786.17474 113586.5671 117935.6851 158359.248 197735.9206 503224.1806 649011.1582 550010.3399 476969.2978 285896.8714 351466.6377 499225.1257 411345.6718 339568.921 242023.9194 260131.6282 534095.0388 233647.7511 160471.7534 144865.7143 263017.8645 132458.9927 248270.8084 341726.4494 239217.4166 649215.708 734624.2646 250742.3536 259330.032 294508.9793 289070.6722 287655.7181 283702.1447 289384.7967 296550.91 291918.2231 294205.1966 284442.5168 272.7037117 281.7401949 274.3710844 303.0295418 301.5496901 310.1299716 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 59399373.49 46156652.87 34601005.63 45319085.12 34162427.24 43855613.41 79232096.87 74953772.78 77477209.36 80571110.82 34952317.93 39725727.67 38622294.22 39287335.28 45125013.39 24303309.46 24049068.57 34525782.02 57914982.93 34792686.24 50323666.88 43847485.38 65729998.37 69304641.02 59702748.43 17259772.72 32310239.38 31030090.7 31325120.64 38088836.01 75445760.55 76519282.3 46141580.47 62167659.08 83378048.13 65556523.01 69212487.48 111279856 55102924.61 55058749.48 67904415.61 59118260.29 54312696.48 17235481.74 38571224.54 57177109.46 46838097.46 60397201.57 75400174.6 59270976.94 69847635.17 79062926.78 32961629.52 40105580.7 50386320.37 52189939.73 50863083.58 55206030.6 54149834.89 55596045.97 28941383.95 59387158.03 57466133.05 312.3886193 335.024153 323.7144557 375.5245687 360.6230966 387.0467688 TG(54:6)>TG(16:0_16:0_22:6)_M+NH5_feature6 1546082.591 939565.2199 946418.2497 1215599.349 890911.2132 1250355.338 2310704.78 2581831.494 3173543.728 2914091.837 668402.0681 864203.5419 1010679.987 885414.5266 1153033.487 79747.62931 690554.8508 1097489.65 1226527.246 944157.0064 1874962.178 1532807.051 2142811.465 2491720.76 2869472.074 362043.6608 706230.6039 1001726.667 825247.3007 1103045.995 2753152.113 2639622.982 2516585.721 2572381.263 3673108.476 2004042.207 1914452.973 4512749.779 1522897.984 1625273.132 1396413.197 4109112.842 1052963.052 843639.0556 919957.4541 1151009.067 1021493.988 1164913.326 1442317.795 1159122.209 1184874.349 1551622.576 695121.4759 894125.5377 1718134.837 1713029.138 1801218.908 1642820.829 1716974.176 1807659.684 1567921.244 1610426.627 1703423.398 322.7835405 598.4282737 640.8404174 344.3407674 596.6074165 522.5976279 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 36581126.36 23976737.8 19873298.31 29458474.84 24233445.29 27889274.98 52997278.47 54194742.45 58502516.43 59704276.57 22367621.7 25885047.68 25356868.88 31160103.05 29835251.71 17774027.33 17826585.46 24680393.81 40723699.57 27823872.94 30430117.71 23497901.58 36597991.28 44019839.79 36051327.23 12035949.72 21070907.37 22760557.09 19841968.74 26479737.31 51268572.43 49487722.5 59185726.75 48764880.89 57942467.52 40285581.52 42853481.51 82798504.91 35850596.17 36156439.08 47654103.3 44466249.82 36010903.01 29237864.03 26905291.73 43384627.79 32338217.41 41702591.31 49593305.51 42641822.3 36889739.59 20845357.48 20868965.38 21442440.19 35277843.35 37879257.15 35926721.96 37651417.91 39354600.04 35123238.51 38337540.09 33360633.5 38163703.17 308.7298396 313.7857271 313.9243161 333.3384631 346.677128 327.6457774 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 40692833.3 26437863.09 21072352.84 33585702.38 28672775.9 19635504.75 63256689.75 46940613.73 66873810.42 30337923.59 15789491.41 22277536.26 21912281.29 27420215.49 15225253.44 15276662.4 15038151.37 23826042.47 28732328.19 18675599.13 49772251.9 40524156.21 63408893.15 57570424.59 69851108.9 12065119.22 10121095.3 24958237.54 12319513.09 25110531.92 74402622.55 71496191.34 66298640.12 63645977.07 45685274.42 48239175.59 74673306.44 97814752.55 47466674.61 49403410.05 26359429.49 94547434.98 28804178.35 22868645.1 16673435.81 30316132.8 11443235.58 27343017.26 36356391.52 25980787.19 63726662.22 60386528.02 20570047.85 34914415.3 26730026.35 38589264.48 38728768.44 44913168.49 43567404.64 44460680.41 36807037.74 43876168.03 24180395.32 2188.284074 6836.710536 8511.349217 2653.688725 4102.970106 3987.873268 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature5 2583566.806 1611743.923 883435.8512 1392951.149 1104058.283 1206682.675 3516884.445 3607357.972 4503045.786 1939799.948 281585.6989 390782.5004 684020.998 900694.1199 567857.8669 249683.3292 305489.4768 501574.924 965454.0881 557799.1768 2401131.971 2210074.306 3783115.552 2914433.671 3274932.401 308406.7152 242600.1854 524917.354 584240.6369 816776.1001 4241278.668 5236602.94 3932261.76 3138833.092 2437206.138 2750055.095 4269179.556 6406024.919 2948093.74 1890243.55 693830.8405 5205838.922 1037354.055 412719.0556 649072.9657 223830.8316 443558.0456 1279485.319 1713487.477 1045168.167 3360015.009 4240180.503 1493239.372 1416573.7 2052115.51 1926131.966 1702436.789 1835374.163 1915561.921 2114299.928 1946122.994 1765719.2 1970038.152 325.4529417 309.8207297 343.021795 382.4279623 385.7329496 389.7171809 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature2 449544.0635 494045.8228 502994.5378 480623.9952 566435.5277 559634.5195 419872.45 226050.3961 226138.4296 206294.8886 646426.4033 1085936.557 1047591.288 1154925.978 809997.0324 911722.163 755055.5323 874996.3243 1032518.131 1198452.394 184251.2699 449063.2779 268947.8292 87336.04289 273287.9814 419419.2996 830249.6842 724980.079 630254.3439 921581.9595 248517.5984 204241.6825 395360.3126 398264.7434 389857.0321 160864.5509 251117.2331 33759.11145 156261.51 150716.5007 949430.6731 368058.4779 1074004.85 932863.9514 817654.9784 1129599.919 896617.1567 829393.1253 899981.6022 1050008.047 274154.497 240729.851 169879.1967 82055.58472 294692.8116 461271.6431 518683.4347 599898.2636 590132.4012 495846.0098 592755.4038 477728.7377 522759.223 382.8608006 364.1692489 380.6919769 221.1444395 217.4652201 214.1309829 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature3 19028150.08 14023172.13 11411781.38 12286888.38 11895821.81 16012407.29 22530177.76 25300895.68 40809843.17 24989855.87 8263856.088 9076921.229 11370596.24 9187562.475 14387282.9 7666167.241 10586314.46 13604574.08 14186696.9 11571348.26 21637029.19 19677769.31 25435044.5 30759848.71 18910922.29 6905975.567 9073573.721 10182132.14 10895382.92 13063214.35 23380306.49 24598459.73 19211508.07 23547915.35 28974704.37 21897602.53 23207023.83 1394720.555 18605581.59 18664209.73 15659044.12 14398142.84 6518779.122 8359673.154 10615319.06 13077604.79 10973528.37 15372753.04 18082941.01 13534875.13 15280311.15 20632340.49 11385444.93 13664254.03 18338420.3 17116707.62 19945779.99 17552856.94 17980201.14 15958749.03 17012537.04 19956173.71 18218118.36 589.7446014 1763.065878 1715.856809 695.0862326 1337.813005 1406.423416 TG(54:4)>TG(18:1_18:1_18:2)_feature5 15949597.54 1041931.521 4841464.518 7283382.434 12133063.93 12410518.47 16933366.32 1303094.31 15507487.63 19088918.31 5239405.014 7751127.069 11065978.1 5960361.349 9411421.19 4980719.912 6800145.685 6875044.562 11057750.82 9079471.353 12407648.82 13441454.22 21196822.64 14542531.17 14789048.49 2135017.422 4227864.992 11468414.64 4498983.602 10171364.58 14479440.09 1814610.042 24152098.83 19383123.81 21798908.59 8801890.139 14077969.36 28236556.09 13858131.35 8031256.201 7806653.953 22139825.92 8864766.942 5815874.701 5353484.515 10713543.69 3770777.861 7092847.635 15395032.12 12189495.16 21963266.39 7507748.801 19391214.16 3852406.115 9857279.364 13697425.37 10740018.65 12577466.65 9929697.122 9097605.369 10071354.72 13685685.57 771775.6988 2211.499751 1331.435936 2345.720996 1029.830989 999.5941551 1614.916001 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature4 37504293.74 32173490 24973989.16 35951517.22 26116586.69 22023586.32 47868508.43 75538461.72 59362578.3 43271420.62 17358498.53 28055276.63 16646645.03 32964402.51 16502921.43 22571679.95 20398622.48 29193547.48 24849562.56 39451775.92 34652896.56 29500867.87 20028840.67 38837861.87 54542362.88 15194239.49 13212442.47 23574513.23 22905733.24 23045801.81 55642344.41 88445870.41 44501023.05 45612255.1 46051418.67 38451192.21 65158095.68 70153211.13 44070530.1 52143870.48 32634352.1 93675839.49 27687609.98 20383633.92 25774562.76 27489419.88 16364862.44 31130081.43 28905385.67 23796309.5 45635378.14 44081097.96 25005100.05 34492891.05 52569576.73 37331794.43 34022153.57 37208858.23 46205431.96 45172068.53 47784471.73 33799654.78 45027539.72 4238.97071 10027.28984 10350.11933 4614.831992 8922.639968 9852.030328 TG(54:4)_M+NH3_feature6 1149940.18 751116.185 710981.3127 898284.5123 843092.6014 1105462.99 1818348.726 1610855.682 1336686.647 1852902.949 736138.2112 874581.8892 777593.1641 806268.965 920567.7063 559940.6709 583451.0334 927397.8839 1210107.476 751727.8676 862520.4819 919333.779 1398541.447 1354083.998 1463005.026 423990.6188 615597.0647 924548.1547 622742.8455 548700.075 2222886.263 1947582.708 1812991.499 1598146.184 1471188.695 1485263.95 1034884.189 2977246.795 1199395.7 821957.2422 1448162.671 2762163.4 1177393.218 881850.4567 769160.0653 712655.5825 897050.7573 1235752.377 1464674.392 1246530.567 1365691.507 1342562.563 706602.5324 758085.8923 1365417.59 1264972.657 1168409.856 1219433.282 1259811.305 1278455.474 1375175.237 1147902.629 1328534.026 438.3624971 717.2004313 737.4154336 501.4056262 575.3633576 481.4424159 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature5 28569.37614 11748.62049 33019.36399 24283.71943 51907.32803 39992.71759 25794.23111 39769.65533 34668.49605 31961.06552 26905.84415 36593.64528 59272.05601 66636.14581 22559.9319 73855.67175 48481.21077 52460.99584 30820.7026 50121.52911 15948.98947 26123.97896 6325.479943 20183.09216 42957.45761 13418.3865 24694.68361 36744.33907 24887.63099 34505.82888 26772.59353 17067.05108 20298.95083 28907.96126 46834.64297 4979.866685 14364.19689 23077.87829 15439.97419 20536.24192 32341.03223 148820.7699 258219.4153 19220.33846 14538.22339 30740.54925 21000.67261 12736.09014 15011.97845 16935.8205 42960.48371 36155.64805 40139.28879 49505.32263 22834.17769 31209.04458 30186.9394 30063.90522 26819.71192 25821.15901 31865.0318 29447.92506 25582.12068 167.5034285 167.7146618 177.494259 97.97111625 96.8025427 91.86852993 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature3 431356.4727 393238.8737 343798.3974 395560.1172 405933.1838 426120.8477 396838.2507 384237.6749 294999.185 392800.3557 315621.9464 429610.5159 432915.7082 481542.184 478388.1394 354362.2674 375395.4122 332906.8565 471073.3606 386048.9958 387095.6038 349673.7565 373656.9452 385039.2522 276232.6477 281155.6698 332129.4889 328335.7252 236022.354 369099.7072 389056.8043 371273.6389 383924.4875 361871.1207 414849.065 371265.5454 328460.4285 352075.0495 372965.937 394280.0957 443727.517 369122.8207 430360.8715 418386.4248 385301.1709 488809.6221 365314.5935 436019.3803 435183.2847 462555.1959 394253.1087 358801.1249 303746.1591 423742.794 334914.9425 410498.0835 455803.7628 414460.753 429113.8828 396772.8106 415742.6219 359236.4059 423617.7802 1210.496483 4081.994853 3289.382505 726.6190403 1589.211506 1428.308648 TG(54:3)>TG(18:0_18:1_18:2)_and_TG(18:1/18:1/18:1)_and_TG(16:0_18:2_20:1)_M+NH3_feature9 18638127.72 14444134.29 13392022.79 14298132.72 15238802.94 14681694.82 24041626.89 33189613.12 32103882.73 27957917.39 9342358.649 12715886.98 10725892.54 9487144.896 13104938.29 12645630.58 12112920.35 15943864.26 14810844.3 20625158.62 14557859.42 21336909.1 17636579.76 21150067.08 37965234.39 6607188.864 7156717.994 15085137.94 9661152.927 12539428.6 29356286.53 41766541.77 31156501.88 23219308.51 29695509.1 13827204.87 32605483.95 39655645.81 22955921.75 18258897.33 15681857.48 48778955.55 17504230.63 12933523.87 12045386.69 17640240.48 11371233.06 15193968.7 23146387.03 15685966.58 27500446.04 29729564.13 15050279.84 15399262.97 23053531.63 20947277.16 20558417.72 19423662.22 24509209.33 19180026.7 19836886.73 19633263.68 24656338.9 2094.036993 1172.448631 437.5288169 1856.117486 2231.83755 1075.342443 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_feature8 10818902.37 4379223.121 3268047.159 5090041.118 4224246.253 6750363.428 19974397.66 15699377.38 28928948.4 11479654.29 5272671.846 8155535.042 6787948.358 14047444.63 4507935.586 6141846.14 6653432.231 7039447.382 7692811.493 8270311.316 7684106.107 6932669.92 10427800.39 11786457.14 19666533.51 2842935.221 4144596.327 7271879.639 5119736.736 6976158.528 19926710.35 25139365.36 13055671.17 14651756.91 19470819.29 12968523.2 21327725.95 29824362.28 11617439.26 17075910.37 9550994.294 58354943.75 10278197.15 5236644.586 5562711.489 8581485.005 5286313.804 5702437.198 9676176.968 6325617.396 11687363.41 13349835.18 6232657.279 9777817.375 11402964.93 13022163.13 12118033.72 13359783.09 12497487.86 11226221.03 12172350.23 14136127.21 11027563.65 2853.388443 6106.870261 6178.899431 1685.87294 6211.437551 9225.851964 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature3 9628830.442 5114169.002 6044610.228 6687143.728 6817513.905 9264304.86 15188547.24 15133176 19945405.83 15397104.21 5445655.708 8798531.022 7825410.808 7206549.112 7424246.225 8673928.992 7982483.144 9904112.945 8849039.787 12368311.41 6776266.489 8402554.624 8376865.396 9931686.172 25348142.32 3331483.327 4373001.227 9515816.773 5955782.913 8207259.736 18121018.91 23297754.96 15647400.46 13224867.49 17547078.59 7745455.421 14776662.82 23755700.43 11276717.66 9735899.464 11001776.57 44417346.3 12345243.64 7951442.022 6480824.628 10701383.02 7320135.801 8308131.408 12732904.48 9269807.683 11232803.19 11908287.65 6776313.259 8398828.402 11283213.45 11493778.13 11326141.22 11108678.74 10946097.76 11438327.28 11564151.66 11256058.95 11258287.2 1553.666708 2929.830333 2839.571892 2097.706102 3412.559333 3229.556515 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature1 585787.7001 446746.2148 465874.599 505767.9717 458681.5145 496124.0535 608023.6068 324671.8239 463480.9578 585035.3451 479887.7392 455314.7021 612307.6976 663642.3428 598300.7063 555714.9658 437678.8761 534028.5626 527888.9445 608565.3198 357300.9585 546162.1726 577687.9509 426842.42 258345.9157 376750.5891 544283.2859 496925.8466 440197.9342 479256.503 416580.1853 439334.7936 434447.657 572574.1352 531866.1138 438443.5003 537045.4499 366774.9622 589358.3304 316501.4733 618851.2832 153044.8511 516089.1452 600485.066 574135.8871 285843.967 603736.7033 627679.268 372100.2741 541805.8547 466276.6204 504072.1004 373607.0271 437817.8333 383686.9351 494342.4236 608665.342 496194.7067 606501.8255 554750.5608 536846.3896 575562.3952 367006.3396 5028.571949 2499.274687 553.9388468 2643.342469 1165.322669 1116.720795 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+NH11_feature3 797377.2238 489478.0207 696077.6478 712878.261 706211.593 908766.9589 1196521.708 1268825.6 1846891.128 1051772.59 522742.6853 975691.5832 754708.4454 487119.4667 616999.2577 833979.7427 663538.3679 1081247.241 878277.5177 1381801.817 529806.731 930564.5228 850385.4501 661433.0354 3244250.095 307285.9628 398320.8905 1111856.691 484089.0907 954898.6737 1859258.847 2763571.104 1355690.279 1216053.863 1320381.817 811701.8623 1230258.417 1796888.078 1210022.907 667809.4911 1258686.016 6589957.596 1295356.592 700688.0682 614270.7463 989355.4502 784200.3908 923775.7629 1235673.436 1139902.998 615703.748 680536.0469 461250.1591 530869.6281 1037464.104 1111709.795 1083317.303 1061279.743 1050018.528 1090588.806 1101763.773 1091407.172 1035139.975 250.4131015 322.9532018 281.4150711 260.9545006 330.0176785 267.8672767 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH5_feature1 531895.8614 442492.1922 296477.3145 452163.3722 495411.2185 497737.8465 538585.0555 406121.5702 421215.9881 553329.1862 341735.2056 380180.2965 350231.1726 571827.9728 502518.3223 453411.6423 549289.228 521561.2827 549212.0824 486938.0968 437057.4184 400603.6423 424380.2998 33731.09795 321326.5077 350624.4793 430797.6829 514261.1518 420119.647 527825.6657 363986.4363 370843.8146 394473.1608 479551.9705 417628.5437 429580.5102 455034.4582 422512.6113 438247.0695 492973.6927 530787.5324 224109.0891 346075.5303 560827.4534 472889.8118 569397.6398 455680.7004 529284.1322 528529.5047 619666.2947 476873.9916 499623.278 374337.9244 498411.1473 349484.4109 476547.0542 525964.9235 553679.5171 494920.0511 465049.4664 451658.3788 473433.7587 438328.183 471.9136982 454.8792696 426.2384663 344.648072 316.2865279 320.137542 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature2 1232829.741 830568.8703 551830.1536 788203.7885 589574.2291 837652.8552 1759582.286 1882752.702 2228001.896 1727717.785 282706.9359 335624.5066 493995.1425 469190.64 451006.7791 304859.3266 255880.3482 419424.0763 649184.7746 483799.5959 1126267.236 1065529.96 1633126.613 1560928.013 1293430.053 149147.7945 296757.612 372773.0247 350188.3239 463509.1308 1911125.172 1331168.177 1849960.035 1609005.623 1658677.685 1233037.483 1684317.047 2351590.007 1204881.227 1053370.259 741154.5364 1045054.315 625182.5028 432898.2691 414003.4754 631614.6394 435956.3883 726752.5013 932548.7486 713128.6971 1800307.682 2094179.08 822629.4814 881297.2774 984530.585 957032.7391 980241.4724 954044.5529 965802.9037 996617.1424 976513.5897 960887.4247 970843.8565 1678.761841 1620.869604 1541.234472 2267.313364 1699.946093 2237.547676 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature1 753380.4593 452547.4847 240791.8279 501222.3856 580602.1866 817431.4414 997903.962 1117419.006 1589063.171 1043996.892 122856.6084 276960.2434 391734.6735 531511.8096 265458.4136 369969.6079 221686.8181 310801.6454 387206.9008 570700.1395 740321.9073 766005.1687 688931.9384 845481.5763 938585.9381 142224.4955 190248.9365 385246.1341 302333.0687 408411.7213 952790.8769 1073362.577 1155294.203 915009.0091 949772.3139 498777.5369 1051030.333 1394111.932 689042.2459 737186.06 381830.8388 1598788.616 376656.0637 399090.314 132024.3796 515406.7225 275249.9643 373649.392 498707.3498 380571.3907 1439801.457 1549243.814 833820.1411 833219.3204 614197.1484 629626.2538 660428.1433 599819.3645 716212.2269 663330.3336 618697.8437 648961.9941 602220.1074 398.6729275 385.6154196 417.4156268 415.7921235 422.1628944 425.7180647 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature2 423711.2981 292376.6092 367922.5442 423345.6763 458271.2559 323743.8095 846033.2408 787235.2153 751258.8202 658296.3105 246295.3919 363117.8419 378420.7945 441254.5172 374929.4836 343033.2373 310796.655 355862.9884 522040.9181 340051.9189 390767.2792 345176.9248 402970.8876 539489.6938 556539.8999 187582.3075 296967.8794 373162.0145 261362.1396 516048.1334 659744.7623 427538.0183 819986.1774 447360.9157 964509.9963 301408.583 485377.298 994598.4167 333125.2422 448063.4128 510811.4712 339257.0726 408405.6611 437906.4632 360399.1129 485268.8447 412045.7661 439908.962 476828.4952 506406.7577 726740.5468 619183.7898 350683.0464 258345.1128 499235.3639 478423.7474 344058.2893 376138.8038 392895.7319 303438.238 438541.6987 473209.0537 447374.5377 1483.924195 5024.415024 4065.046575 1053.974102 2307.767573 2076.415334 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature3 924107.2042 1408079.801 1119430.468 1410174.774 1452735.629 2075942.809 1723678.689 1998625.889 3432143.006 1988752.343 670897.7498 946981.7604 1034693.814 710373.8338 965565.0651 929127.6521 949956.607 1095675 1198489.583 1514135.853 1537540.509 1970688.465 1989174.37 2032675.253 2064128.533 401783.4925 568728.445 1016487.053 777900.1369 1131976.685 1222422.024 3233862.315 3217383.863 1289429.348 1477923.78 1380080.131 2500052.665 2982901.44 1917452.859 1906055.916 1407311.737 1742861.898 1267553.059 1263342.015 883011.1541 1271738.033 990757.0459 1104415.96 1588133.414 1451018.247 3382677.994 3558012.341 1819273.424 1786867.546 1777864.896 1871601.286 1978219.244 2060104.92 2061844.92 1630776.79 1782095.249 1853971.061 2022710.708 645.8865565 448.4881868 528.5482419 446.0747186 1039.988756 430.62952 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 1337646.814 449501.845 1543383.165 1999698.242 2096426.343 2439639.87 2326413.949 3151172.298 5238596.136 1991217.125 824908.135 1299819.304 1538492.348 901084.3352 181474.5517 1440434.94 1419303.733 1566290.16 1822684.702 2286778.79 2379300.419 2760905.308 2635358.942 3306806.726 1892272.346 561000.4432 805495.2214 1459733.46 985360.9952 1672010.146 2296512.869 4622004.013 4051332.351 2062272.155 2302895.238 1379798.288 3849557.616 2413603.527 2723289.785 2634114.696 1963600.033 4252448.762 1807851.355 1477695.402 1193935.772 1973622.258 1325527.421 1452210.528 2262610.87 1723788.86 4639915.106 4681330.494 2587503.922 2622393.144 2639836.571 2699388.982 2382270.24 2410235.165 2819676.207 2553363.574 2626893.732 2535888.14 2597213.39 360.2385818 409.2229066 370.6108544 889.7152393 806.7610722 514.9307459 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 857705.5687 281182.1532 293885.506 423178.5129 707157.2167 638436.1842 1009545.922 920905.3551 1758924.596 972028.5789 180393.3628 257416.1197 333721.1503 477239.0831 305179.2969 409251.5554 356761.7769 454177.342 423378.0718 522088.4688 555793.7724 605885.3229 592014.3099 1046294.064 1111514.117 95089.77387 155346.9692 327751.9847 190592.7383 291452.4291 1335821.587 1437736.472 908277.393 3677657.518 1204673.776 392457.3681 891100.1116 1455539.664 639169.688 607832.7938 475507.8407 1895182.779 464172.7826 318236.8291 230517.7883 622317.5835 219504.4187 307591.7326 430247.7341 576307.987 1222085.196 1059688.019 906043.251 743735.3415 747504.7081 600596.3602 661462.3128 615294.1362 596726.0852 645440.9073 549378.5039 853736.4103 600548.5015 315.7246737 306.1456913 306.7985136 288.74642 294.1614827 293.7045288 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 2357752.97 1391943.952 1203813.913 1746805.721 1687395.391 2369392.185 5070993.02 4114705.589 6241129.641 4804057.225 851751.8921 1122614.457 1342616.683 1295230.197 1259506.398 1296438.557 1484559.924 1671111.327 1882260.553 2465214.369 1939260.053 2237741.003 2658728.399 3203699.492 4393310.913 500509.5112 753453.3376 1367672.325 1009656.545 1457079.399 4483551.836 4950730.672 5318074.367 3745935.32 5467269.398 2038783.408 4139594.053 7801265.683 2547597.777 2760471.135 1796882.277 7307948.602 1624354.262 1639399.746 1175587.765 2098545.481 1286110.535 1633375.232 2669415.864 1948823.382 4016152.151 4124178.38 1797737.547 1831340.223 2579659.977 2537366.03 2552435.067 2428312.453 2539115.222 2604110.886 2658126.091 2416869.061 2564964.644 385.3414244 402.8648175 412.9142548 420.0598848 408.9833466 415.3911168 TG(53:2)_M+NH3_feature2 125865.9066 119503.1398 109361.2053 105165.1148 106246.4484 125855.4518 151337.2257 143492.9901 179253.4498 164754.9531 128677.7847 93537.95711 116767.7857 128044.448 158562.8517 130730.4395 144759.9475 121050.239 109086.9875 133491.5484 85151.39265 117825.0181 106825.2213 169634.0444 128903.1888 73152.63227 89216.9049 109008.0928 100873.4077 115454.9145 193839.9149 125304.615 158762.2913 185743.6403 164699.7854 84412.53647 165985.4691 182137.9612 115826.0442 110686.2753 126187.6889 203211.8333 99058.19294 124432.1491 96013.89611 146185.2785 116532.1443 108155.1411 155725.336 111224.9402 121505.4271 154888.6636 96693.47761 113748.4644 99686.073 134811.2994 135390.1403 125479.1908 141083.3842 126110.0416 142590.4759 131303.0236 91543.46365 388.5912066 377.7598215 483.7334304 516.3507428 506.1742718 487.4879366 TG(53:2)_M+NH3_feature3 151102.7631 202548.5905 107143.3108 128264.9799 140706.4868 174582.2843 301888.2732 291677.4968 364458.9826 543331.7879 55774.18253 45575.01051 137160.2925 114454.5713 297261.4745 168207.4921 303858.3792 132233.6919 137930.727 210452.1898 127985.1027 129965.3346 130890.0739 194004.8206 291946.3893 71234.63081 64772.93529 113351.746 64347.54669 95958.21986 251485.8549 671449.443 296516.1377 239882.6523 389494.1843 156538.8156 709733.2216 1113916.783 163668.1423 178849.2173 198072.9307 2271155.73 186534.6445 163979.4639 91598.50025 140605.1754 88659.91853 62273.81005 140385.9644 121451.279 229558.8199 220062.9712 384508.8273 154241.3449 162526.3148 135128.8168 175397.3644 172739.9042 157057.2374 164160.4969 148738.1293 142962.5628 172698.6839 1112.21595 1165.07143 1130.326449 1121.618814 1155.196875 1120.977179 TG(53:2)_M+NH3_feature4 1551838.935 934100.1844 1121078.117 1251072.946 1358149.519 1837839.68 3281269.857 2840344.607 4143929.392 3568444.432 836867.087 1160381.592 1316945.164 1265533.618 1200180.95 1583554.985 1645563.827 1743663.056 1636651.596 2515251.269 1316709.566 1575739.543 1518538.25 2165484.474 3952223.511 486446.1606 724339.3993 1295298.73 955601.2848 1324435.496 3191121.091 4060313.97 3464801.92 2716849.048 3998231.595 1356608.577 2990784.127 5668318.873 1761822.32 1899330.132 1763050.748 7211570.664 1573767.914 1541025.327 1031651.18 1854058.332 1255705.032 1374657.398 2118926.052 1719386.51 2183031.561 2544553.062 1453651.41 1366160.692 1943390.202 1921033.307 1966344.077 1978444.759 1971387.43 1934860.735 1962976.252 1909239.574 1963483.333 327.3752428 344.4721572 334.6962555 367.5026197 380.9227471 370.1928525 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature4 170189.5853 100622.943 183415.027 156339.8571 159120.4631 263212.563 327551.6608 328952.3675 471053.2432 338964.6479 84462.67379 207389.2327 203104.3405 95280.8428 119205.7004 259612.6388 184688.9428 222082.5938 183686.2104 353402.5873 137277.668 227482.0268 166134.3261 198082.8952 885945.6986 57972.60469 60390.12621 202147.6181 92579.05785 141099.532 483338.6213 690005.2287 382841.7157 293882.0643 441108.2225 157848.4426 301795.9582 529294.3203 256299.795 181002.0367 279757.3071 1577162.888 295822.7831 158554.3361 101758.8612 182020.5957 137514.8453 172825.6104 246790.8905 200079.11 187186.4154 230358.9034 132574.544 155949.747 252922.4307 233188.9398 245332.3419 265773.7752 258688.1411 253222.6594 250960.1087 237844.0368 247489.8703 289.40559 293.855918 289.2638931 343.3467117 339.386416 357.6920183 TG(52:7)_M+NH3_feature2 527881.4888 349286.8967 302985.886 362522.224 338844.9043 663247.2238 774552.0025 875911.3287 974763.7402 841302.3948 211095.6551 266515.6879 517693.7118 577167.4777 204319.7557 355723.3695 159578.7261 392790.9492 430363.0368 251790.5809 547371.1772 634052.716 655717.3358 682557.9496 531347.9075 82980.21887 279094.5528 192634.1435 217200.4476 449123.4263 682732.8773 563789.5607 745623.3093 607822.5149 832671.5058 406338.9557 412728.5965 1068626.161 412342.2647 282109.9666 633226.3081 524209.6292 355124.6308 260812.0848 167487.2602 470400.0094 212371.6861 209652.597 501194.2569 380116.3588 617929.5279 613899.3382 297383.1357 304891.3342 463207.8405 466776.4181 415704.0534 463204.6514 425521.5492 430028.297 486527.6276 419219.0708 471595.2335 350.9623845 361.9378863 355.1879638 361.2135241 368.8181398 380.8080325 TG(52:6)_M+NH3_feature4 3191301.772 1896138.765 1614790.431 2193822.59 2061312.014 3107155.55 4851983.684 5146650.756 6230209.957 6037823.919 1528187.35 2153452.95 3402077.091 4238967.928 2176472.007 2107524.434 1447693.709 2400440.676 3975668.51 2329005.464 3359370.791 3076196.031 3978991.73 4749535.413 3287631.346 597788.4402 1759046.494 1592403.738 1534795.786 2836126.017 4348271.739 4070200.994 5435727.877 4339518.485 5709804.538 3091324.031 3291605.699 7259477.453 2712770.477 2261826.848 4121738.763 3923918.613 3101208.745 1897068.475 1596128.069 3524294.288 1958591.778 2564396.642 3768813.135 3164632.192 3970543.639 4720079.145 1929588.636 1879383.546 2963106.5 3047738.744 3053204.791 3100694.574 3100476.188 3133087.85 3061438.35 3050553.583 2934318.351 365.9387973 364.6486062 388.5997057 420.1233568 391.1214252 398.7885685 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature3 7690642.086 4087270.051 4117307.189 3815591.145 5085622.021 6100969.022 8637198.47 10667170.54 12804817.75 9680498.959 1839886.784 2878678.272 4049209.724 5204967.648 2519701.471 2922179.248 2450095.87 4890696.041 4781566.212 4009682.33 4493756.946 5808812.291 6607768.855 9523316.385 9479312.243 762824.6255 1617116.305 3119018.903 2037626.549 3166929.679 9755913.492 7921279.394 10263925.43 8464646.342 11797170.44 5278915.792 7156911.209 13613877.54 5943459.958 4670287.191 5544728.653 16945265.16 4090910.509 3036963.172 2212600.711 5485378.375 2176316.928 3338893.757 4688439.774 3941903.225 6485035.673 10163849.94 5421223.004 4606852.353 5233943.358 6940285.021 5846328.169 6345511.365 6716177.325 6710450.533 6816760.459 6174827.713 5155809.166 340.4710489 354.6917935 369.8843961 379.9352945 378.6906182 382.1641157 TG(52:5)>TG(16:0_18:2_18:3)_feature5 24628979.12 14575022.85 12351999.73 15410280.24 16108752.3 19753015.8 31987901.17 29803728 38226347.82 35104362.99 11345007.63 17238908.9 22365633.03 26061775.78 16638371.06 14552279.75 12642501.22 18948089.16 24551927.3 21940485.65 20864621.2 21950376.77 23616234.1 26917053.22 24053175.86 5775422.312 13830689.61 14350176.39 12740620.56 21849651.7 26710723.02 27371081.45 35056009.62 29048280.61 37326433.06 17289147.08 25269721.3 43921520.44 17649820.32 18432604.09 26162948.62 30948150.3 22605599.76 18006536.27 14733106.31 25394130.12 16162978.11 20912943.91 26496945.4 25242460.22 29919825.31 32485954.53 15775695.41 15902122.49 22994518.03 21711478.2 22382036.54 22769607.23 22692846.84 22352452.53 22761213.22 22139959.12 22522618.33 8199.558743 1552.429291 36136.66839 3017.257859 11734.99243 14595.24714 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature2 16953857.22 9763462.504 9474508.13 10215674.33 9266425.018 13039203.5 22102413.67 22037536.66 26918134.86 23816965.96 5351215.218 7818977.553 14081730.13 13264040.49 8513788.887 6867975.721 5044078.23 7621954.025 12402463.93 8611750.285 17923651.42 18889534.59 22188417.46 22248556.79 15030157.62 2948419.614 6385796.241 6193908.28 6757789.368 11160303.7 17838270.53 17554951.77 21996303.75 18079172.16 21422619.72 12444849.19 13687464.31 27664129.4 12120694.4 10753321.37 13664900.33 12960816.57 11287527.69 6711003.01 6289261.439 10964737.94 6510544.163 7969442.944 11921006.71 11253455.79 18394731.64 19450826.99 9366724.174 9673245.394 12630759.63 12774346.81 12586773.73 12476753.16 12497956.93 12481753.33 12193895.4 12296928.16 13253402.64 544.4849879 563.5637837 584.8501623 592.7574784 576.1320236 577.5605609 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature5 152856681.5 111085492.6 86610437.16 106496502.2 106309078.8 118982748.7 187318015.9 171012567.4 185419887.7 175729280.3 67703489.25 95108461.28 114534961.1 121138184.9 95585639.09 77995216.13 81121621.66 90793698.87 132277165.9 115629912.4 112839594.6 120655017 154526272 164179712.7 144172810 45285493.88 69957400.32 82695135.26 76792553.19 102451519.7 172569011.1 180940695.3 193035900.2 162071182.8 192946232.4 127795669 154950019.7 219573384.3 125269623.2 132086484.3 122670821.6 168622230.3 109298225.9 112479830.2 87683057.66 130899158.2 84420068.27 112481700.3 134751062.1 131991425.6 183215397.2 179001381.3 102850902.7 112804600.5 133509608.1 125882943.9 134898129.6 136581722.5 125655577.8 129434662.9 125238511.2 135576253.9 133148038.3 968.8142786 2511.031761 2270.102071 715.5675243 1572.574497 1503.146289 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature4 182849263.4 132301679.2 111713149.4 146679016.3 159964653.6 151589733.1 238339043.9 228885558.8 258353993.8 249750652.9 108414041.3 134528816.9 158667132.1 163969414.7 133106228.8 139426155.7 134651747.4 148784327.2 169193523.5 200687277.9 159295618.6 135860169.1 170507590.8 210983030.6 195834617.9 70715164.47 103937165.3 128259324.3 112310288.3 143811412 210486652.9 196998168.8 211056461.1 187829835.9 235442938.3 156208536.4 201249819.1 295697845.1 175301698.4 179483536.6 171963001 239534900.9 146191310.6 154240885.4 128144562 159169199.7 127899862 152511052.7 181510803 174010927.2 206440361.1 176848667.1 144406959.5 145420278.3 177039730.8 189033567.9 152722050.3 184475023.8 174076472.9 172157882 175981436.4 171742726.9 181890156.4 3498.081083 2895.48256 2958.307243 3322.102836 3549.411284 3336.130891 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature2 158606.9968 71141.4696 139894.9219 144941.5804 183632.306 73227.34892 155320.3885 180720.524 181073.2779 231445.3664 51478.64239 169958.2219 205295.6704 193156.7249 159549.8803 73763.53681 77030.97555 182388.9017 169026.1382 205849.4859 124013.6565 164536.5041 94657.55411 182251.7398 195066.1436 55823.35275 139936.6342 134138.2863 45072.76907 148844.0906 179382.6417 129352.7484 157383.2313 169044.5505 250851.0885 103001.0759 115885.6787 143751.4531 120473.7676 160433.3287 151554.7988 157123.3902 136127.5286 145432.0917 60086.78427 151559.2588 139334.3575 105650.984 110452.3164 117381.7066 145635.8508 128980.3288 148018.2581 190114.0377 104383.694 131788.4527 157023.5215 172532.939 151042.6064 142566.6189 139534.6196 132231.929 133042.0182 160.6979042 190.6685518 181.1979707 100.8449798 111.892602 100.5118351 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature5 106135418.3 65824453.62 63676229.97 82006811.61 88767349.55 94187734.43 144436788.6 139846972.8 167293567.6 165065441.7 64971612.96 83286889.81 86107297.72 106967740.7 79812284.62 103328035.5 93228917.54 104360292.5 100919442.7 125566189.8 78338717.49 83469275.89 83177881.67 115100573.9 138203897.3 39271834.42 61616489.49 84226043.95 63657648.84 90243125.26 131735958 129821851.5 147121404.6 124513812.6 165829580.3 79066984.35 120889919.4 189409874.4 90376199.92 106123835.4 102796777.6 199801851.8 47108369.87 95666534.27 74265262.13 111959328.9 66978149.95 87655060.58 109363302.9 105467175.1 112534389.9 112478697.4 78792493.64 86556973.27 114717909.6 106410693 107416139.4 107409479.2 105044752.8 106550263.9 107119549.2 106025047 115695307.6 7161.572839 13609.81256 12042.8687 9546.221363 13304.20899 13075.77748 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_feature3 7181655.466 4358439.984 5501125.127 6040572.023 6699450.316 9024337.237 11704979.7 11258389.7 14995403.54 13432336.05 5250127.99 9084163.85 9571925.302 6659632.655 7301266.405 10474337.16 8574909.414 10344157.23 8704707.429 14221625.86 4841344.393 7397195.515 5820963.818 8199935.27 20963468.61 2849401.415 4102803.064 9134645.19 5934138.096 8077160.929 14189952.99 17445147.43 12938593.34 9972207.561 15452649.52 6128913.724 9555966.46 20462142.65 8097527.989 7814636.578 12240109.91 41731354.13 12222883.59 8054986.865 5767086.126 10403386.41 7229263.804 7578474.99 10811371.61 8809497.225 7353822.496 7818012.815 5176323.184 5818414.213 10215166.1 10044040.71 9665374.278 9662364.695 9801908.752 10026999.21 10397892.96 9916456.079 9813777.408 2543.731025 3914.457837 3453.08876 3036.249545 3867.014775 3774.403704 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 235566.0142 176139.4949 249828.5867 249890.1144 255530.7488 382583.4087 367989.5913 384864.874 614813.9025 313858.6092 202933.0271 345509.983 386711.9248 184745.6194 252753.3481 390056.5656 271927.1167 420065.8831 330051.4414 495768.5195 181823.9297 343277.4225 307726.0456 220566.3405 1039001.345 126761.7203 170557.5413 424004.0552 216038.5431 366345.4633 565765.7134 833559.397 486663.6033 402415.7499 403856.3764 303452.7068 342011.1692 517924.9856 371356.0673 212062.6389 537383.604 1695601.792 486618.5098 283578.1944 245242.6701 411429.8722 276389.8819 268482.9062 386759.5108 363157.3913 189996.398 174623.7299 130047.8366 170507.6134 362876.1518 391904.8268 385500.3642 366916.8323 384839.3572 385482.3011 381199.6836 366995.9987 380021.35 5539.475731 6214.321186 5419.140083 4462.259071 6009.113499 5843.158525 TG(51:5)>TG(15:0_18:2_18:3)_and_TG(51:5)>TG(15:1_18:2_18:2)_M+NH3_feature2 325632.3575 179887.5112 150597.5298 197479.2772 170126.0795 309497.7268 427610.6757 456901.6633 600213.2269 513065.4766 86476.38931 120325.1746 201312.6094 235780.1528 124675.0857 140559.5382 120376.193 139813.9714 201892.0306 193921.0782 307013.8673 335260.45 314281.4942 403093.615 312121.9197 39828.66294 108963.3333 124224.5493 97814.40391 190786.2126 382215.1685 378811.1823 521667.2796 373673.61 400700.3724 206331.6854 316498.418 557719.6366 186649.689 227410.1095 219030.0591 409700.7811 158530.6212 161549.3322 113141.9535 207334.2573 130694.3601 177964.18 240498.1251 206747.2259 540730.6518 571715.3126 259324.7083 249199.7951 218484.2511 260354.0084 236811.247 269291.143 259327.7851 259453.0308 240130.5502 247762.5391 229811.9 446.2430789 1704.874474 463.6222392 411.6741855 432.4401589 457.2700648 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 2440143.844 1637474.236 1261278.971 1513731.728 1581454.188 2201077.412 3287601.223 3234783.64 4190866.16 3227126.945 638789.4653 881590.1467 1217448.921 1287725.012 881540.5211 965933.3255 983793.2655 1106477.153 1398530.712 1573424.018 1990547.084 2396501.738 2505444.506 2837253.446 2535784.912 302331.6527 636791.2909 906238.1342 753646.9959 1088628.131 2938623.216 3373113.264 3567139.418 2868122.669 3156088.901 1787396.123 2842047.828 3632441.045 2046737.728 1972272.413 1363392.056 3213478.798 1235938.095 1216793.894 776365.1922 1521932.811 923192.6994 1149442.708 1632619.865 1425930.481 4166708.323 4507497.446 1961302.507 2121193.625 1841251.083 1870543.993 1957358.79 1897656.92 1955824.342 1803935.671 1894757.853 1954597.937 1831494.284 492.7603357 455.2370819 355.1822378 423.3866711 383.1449182 386.7027189 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 5187882.18 2818148.977 2752600.166 3272253.621 3903583.504 5459866.778 7478378.488 7278858.489 8916492.6 8396614.946 1749004.867 2353050.777 3193610.883 3512218.736 2110921.278 2923648.825 2946757.124 3532770.602 3846251.071 4835456.243 4112968.581 4706677.966 3973135.102 6143615.587 7134691.935 781617.1965 1557388.597 2449760.382 1858203.971 2743047.894 6729147.164 6331926.438 7217647.046 6872568.693 8725470.887 3098713.299 5911083.785 8749962.823 4283215.149 4719712.963 3492140.827 8729127.796 3050624.551 3299177.955 2068384.763 3983469.646 2544437.85 2726884.082 3790304.648 3195272.979 7401468.539 8305117.997 4512440.164 4793901.275 4684787.646 4747019.849 4652916.057 4806316.138 4893214.831 4539667.476 4589988.033 4733916.943 4809673.017 342.1339321 406.479939 356.4963332 553.2801655 351.5256466 863.3004929 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 3979954.595 1091790.564 1748147.15 2350188.595 3176448.253 3760040.346 4521800.024 6778321 8079291.694 7659437.648 1094357.76 1700969.609 2606123.368 2658430.134 1608943.852 2627206.035 2502682.616 2890037.153 2306579.646 4759148.499 2582439.73 2464555.846 1950787.07 4715691.797 6332801.262 468988.1603 1134149.905 1437783.78 1266042.135 2118337.75 3957673.862 5483039.675 6485183.117 5410055.271 6267430.764 1546829.245 4068207.513 6522735.62 2423032.614 3592110.905 2768025.476 8567947.85 1897735.712 2643425.948 1450459.83 3261477.931 1620845.586 1240785.42 2920410.335 2655868.367 5325495.478 4780863.285 3011971.708 2675633.31 3977777.733 3468041.6 2599466.244 3628361.754 3668257.057 3701538.419 3590466.201 3442915.44 3416622.789 933.1001614 902.2129443 910.3256682 818.1505798 844.2964226 823.3072146 TG(51:1)_M+NH3_feature3 691274.5354 380741.6643 626421.6152 631069.9758 791301.0144 1099105.548 1611234.858 1453740.544 2112329.336 1810996.974 393023.4497 630746.8933 893557.5597 580503.4034 550753.1975 977398.2441 839249.6258 929846.9621 948792.3701 1484402.307 652694.4803 860247.124 664625.8842 1183560.913 2473836.261 195160.5984 348515.4735 787020.4669 410440.8222 576173.3459 1680943.354 2098038.318 1847146.023 1432371.153 2521895.852 652371.0184 1178549.191 2700091.411 847354.7547 1146132.421 950798.2463 4941627.475 831107.9453 711320.4051 438816.3673 925712.2415 789778.0497 575830.9106 1092280.093 780046.6259 985527.6615 1092443.708 560345.7845 651260.1144 1139416.385 962833.9965 1020424.801 1061776.613 1176825.108 990719.9678 1022387.239 1058736.434 1080886.363 276.6148765 291.6918967 283.5182953 335.0061061 340.5365468 332.8980292 TG(51:0)>TG(16:0_17:0_18:0)_and_TG(16:0_16:0_19:0)_and_TG(15:0_17:0_19:0)_M+NH3_feature2 30224.395 21665.57043 45134.1544 29762.08694 35272.65769 53292.72645 60081.46245 60031.29177 97836.83153 49811.39634 20044.21394 37970.50323 55457.89676 24066.43937 29511.31222 68307.14363 46390.73509 58827.12089 36258.45264 87475.98669 24281.60736 49135.17615 32378.30972 34993.48872 215939.3959 18443.34378 16254.71979 46389.15787 29288.5453 37391.37915 102226.9379 146214.3307 67097.32092 61167.18499 80987.75899 34098.59462 46372.32313 87884.82263 49852.46065 28471.27688 71988.90257 327895.4928 66659.70824 37947.99589 20312.19188 50820.65662 30650.89026 31473.07874 46686.84436 41832.32859 27220.66611 36385.48199 21117.3867 27726.75605 44150.89851 54256.91617 42760.82751 55874.72492 53518.2033 55032.04243 56796.97923 42565.60337 44883.27509 319.9572995 324.7700058 322.662241 373.0735812 498.6760516 388.590984 TG(51:3)>TG(15:0_18:1_18:2)_and_TG(16:0_17:1_18:2)_and_TG(16:1_17:1_18:1)_M+NH3_feature2 59677.88846 92613.214 91070.14632 94863.07405 73399.79994 166091.9863 206383.471 163786.5939 199423.6033 180289.2462 66999.1682 63785.88347 195915.4156 217447.2849 42997.63867 158088.2338 68796.94086 147516.7376 89405.37317 95136.23019 83274.44527 172338.2263 71457.28831 137580.0985 119247.1916 22852.27444 109943.1736 40186.53452 56156.23776 83465.22947 75689.11552 120920.803 169477.8523 133083.6096 166468.0097 104273.5768 95821.90701 163340.3258 93194.41666 41563.21146 219263.9768 256287.8557 166167.9218 63407.72772 59834.65378 151462.1514 43445.64578 57197.03372 210004.9121 116588.9121 101746.3754 173681.9934 57744.82062 95981.95942 110441.4795 120524.5736 101987.2853 110968.1657 92717.9946 108743.9467 157304.2023 93469.56545 100778.0532 385.0414981 399.9490885 441.26125 705.6306921 732.1850417 720.8271185 TG(50:5)_M+NH3_feature2 823497.4039 488017.9136 545232.6968 718552.1215 801341.1796 1276403.154 1122827.526 1126991.784 1628212.48 1429739.166 390470.187 585428.3425 1210120.672 797697.7023 405293.0407 913169.4157 621266.2051 886066.3561 750698.0301 822491.771 754876.6253 1184349.314 763503.5415 1084342.208 1345895.503 151099.6767 452546.386 585926.89 508982.5212 813022.902 1056972.248 965915.4656 1229393.33 1110133.569 1490314.373 542744.5042 698639.7509 1510556.965 653323.3641 587560.3822 1031072.596 2549510.16 777779.072 461620.7157 371337.0778 753898.5551 444214.5717 483124.3476 769078.8137 628130.6201 1266630.918 1360469.967 726023.8414 779352.2395 788261.4448 762214.2851 772467.002 825606.7524 778665.4133 801382.6294 698036.2128 820310.7657 791181.9757 432.6882327 7146.702943 4208.504077 476.4935713 2675.353413 2663.578513 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature1 7264.829464 6318.045102 3948.681594 5025.714349 5551.676313 8592.653782 8569.846697 9927.56289 10788.68092 5687.520205 4002.146369 8228.691885 7186.412668 9590.987629 3390.321188 6375.27303 4578.055171 5609.917062 7273.061888 7335.750492 2520.554968 7408.888735 6736.948947 5898.744528 19355.52854 1153.813047 2822.783301 6398.875767 3894.312258 5652.123322 8910.240779 15342.18613 10662.95566 6344.642173 9222.079947 4817.752 4558.220249 10619.36075 7224.173594 5118.950009 10796.81753 68502.93454 11056.4934 4002.4728 3596.015227 7859.169787 5114.415825 5480.913379 8189.059458 7525.690911 10625.30774 9581.48611 5269.038276 5891.706013 5727.040828 7771.547551 7076.663469 7875.894436 7004.098236 8085.650825 7445.133659 5719.973772 7390.456262 347.2372768 362.6454608 359.5000079 234.6445123 235.9952414 228.8115898 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature3 264790.2534 139249.5963 174529.6822 225405.0482 271099.3078 371614.3021 425965.3066 433730.5279 550991.438 507861.5152 178540.4433 236706.6943 369800.5815 406181.0666 232442.1628 277027.209 248591.1836 298135.3307 358297.5655 333237.6637 256155.3965 215736.5762 217205.0263 368949.8362 423331.3556 56893.87841 155131.7145 200713.5304 149875.1838 256601.6454 433451.6206 294222.2427 458231.16 455634.1709 564556.6298 218439.2402 302771.3225 585244.487 232412.0699 252705.3236 490855.0265 848338.8028 317678.6095 255984.5275 173660.2554 390247.1745 256360.2895 187889.9181 424152.1252 330557.7389 35585.32452 335669.9061 147082.0174 167072.0603 289720.8316 312392.8534 336716.5865 354605.8624 346569.7643 264836.2497 255897.0732 345845.1621 333816.8665 271.2313207 268.0424153 285.0087304 325.5735784 332.2056896 335.6748422 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature2 7633892.296 4405641.087 4049381.443 5838448.712 5836978.674 8712732.191 10268274.88 11190775.37 14461237.85 12422134.36 1721685.987 2862670.389 3739249.597 4472652.022 3239370.552 4942370.815 3035184.967 5766578.379 5120664.29 5170707.433 4697322.592 8679776.659 6950709.724 10422499.51 8069704.99 829750.4259 1560350.798 2599334.933 2758170.444 2980831.518 10031241.66 10406196.59 11314214.8 9805095.873 13120288.78 5353601.228 7777591.954 13387731.84 6323765.739 6238142.619 4863278.633 17727613.57 4781694.887 2674814.316 2146664.516 5285672.453 2263922.117 2611163.629 4058471.795 3105134.345 11117938.12 12436322.32 5898800.426 6944548.569 6422883.549 6773953.815 5647034.535 6649819.532 6183341.819 7201209.72 7227877.669 6851449.611 5261929.794 915.8015107 952.143696 978.9551074 1119.019197 1110.099554 1094.265803 TG(50:3)_M+NH3_feature3 23233702.27 10530263.74 13436106.61 16112079.65 21219250.61 28074092.12 29678448.77 35281208.62 37887870.35 40600991.7 10401325.15 17229991.86 24882604.11 26837948.35 12432373.88 22744791.8 19024302.33 23882471.08 20796444.06 26466953.64 17905354.5 22031904.95 14021050.67 29507060.62 38795114.84 4397635.438 10312944.52 15110251.67 11088575.61 14998058.95 28677659.69 23707595.86 29295157.69 30857716.29 47435851.96 13219229.3 18717548.34 36307892.18 16699738.54 20211454.25 18987925.06 64014699.82 18168425.12 16389560.17 9589395.73 19809717.31 12941735.02 11312687.62 15146609.89 14232038.73 28818816.08 29839261.73 20845494.85 22358071.84 23278621.08 23576421.1 23084072.41 23909665.2 22414941.73 22724888.02 22801939.9 23911607.32 23546591.07 1791.702154 4983.236118 4186.829664 1995.559397 3482.042122 2899.73369 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature2 9091536.956 1983671.219 5936730.549 6778711.781 9276593.918 11734134.85 14585432.65 12947275.44 18470718.66 17814902.26 2612313.309 6667671.898 12546991.33 15290491.22 4664685.65 21290454.09 11724164.21 12087959.42 8912999.713 13238919.59 5406976.067 7459593.293 2546130.449 10644099.07 19513358.26 1537546.491 4400131.793 6426339.618 5697247.568 6436690.282 13788402.46 8972824.491 11198979.83 15097940.92 21154544.92 3894701.044 8638757.193 14698426.24 7449014.843 7658629.171 8732022.35 23584130.43 7247470.365 7588601.369 3721011.532 9008867.2 5182048.848 3973672.117 4147668.811 5060959.122 13318071.98 11398662.99 9992586.73 14548913.83 9292954.838 9807983.856 11914664.62 11974556.71 9488908.754 9141632.579 8568278.482 12647840.25 9709528.191 1012.498478 1112.507238 1010.335085 1109.82327 1235.83988 1949.784964 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature3 28880594.77 17891957.88 18901859.12 24097290.87 28592711.52 30166466.88 40650399.49 48415577.48 46514713.18 56947271.14 15875058 23410032.58 28739181.87 26212617.31 19406085.89 23443000.52 22871383.27 27632562.91 27311666.53 34668841.93 30246995.35 31607488.12 27922625.03 41803642.93 57684017.55 8546025.502 14209441.55 23713996.11 16389739.9 21628493.49 47108665.84 44967353.7 44378328.09 42627991.92 57768624.19 24764478.64 33589324.71 64509572.14 27580203.74 33801357.01 28194602.1 90182636.88 28033199.92 21765755.28 18217971 28423870.36 20834462.1 21474040.38 25839141.99 23931971 32484223.53 34430441.42 25858178.02 23992846.32 34833186.49 33926665.48 32043092.26 33693666.78 33366495.56 33412639.65 34767928.4 32261957.89 34746050.02 623.1802016 1272.063056 964.2091648 590.528676 1759.77655 1203.284885 TG(50:1)>TG(16:0_16:0_18:1)_feature4 25819888.1 13179409.29 17471028.76 20248786.3 24646483.69 26455251.29 35420656.85 41665474.4 43110088.58 51498100.21 13931207.04 22120611.15 28912186.24 24754695.5 18542566.65 31820374.44 24211047.33 27203683.33 24132627.19 36038813.42 21652631.45 24191407.84 19309450.22 32331078.17 54244046.11 7731119.902 12948728.83 22018643.96 16021899 19538122.87 40111123.17 37033002.4 38511564.22 36939302.81 52725001.71 18889491.07 28866013.13 54643275.41 23221407.02 30544198.43 25602604.53 86696082.21 26493578.38 21318958.35 15546177.73 27417835.64 18078751.39 18252602.67 22432992.25 21122277.62 26816893.3 26569116.34 22204683.92 22858121.27 29999721.12 31460478.44 30059058 30549735.91 30260635.92 30729395.76 30700717.94 29680208.55 31030994.56 2636.532298 5922.186174 5760.04099 2413.199718 5040.849579 6101.328133 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 900010.9769 518920.3625 930717.8351 877105.8965 1046464.764 1525083.536 1367688.691 1555918.119 2497215.637 1858658.287 692752.2451 1375007.47 1801299.718 947504.7565 887443.1906 1955467.003 1210489.59 1698605.841 1171727.748 2162051.308 676805.8498 1246868.222 841227.8947 1074160.686 4444379.481 373225.1637 597675.4253 1682689.598 828760.8585 1192166.032 2460625.299 3045063.671 1824737.788 1491473.132 2266235.401 891947.6669 1259850.896 2742893.438 1273929.083 970965.3823 1888557.993 7824776.682 2080019.017 994771.1972 711307.7112 1386240.81 1060871.509 865628.1982 1286380.501 1075326.018 873741.4314 1004460.609 683033.0646 786010.7104 1627765.84 1497554.664 1595265.544 1578513.322 1528465.132 1556119.903 1591009.475 1582035.334 1568686.132 8651.651656 11113.4195 10321.97594 8924.94858 11598.86764 10483.81143 TG(49:3)_M+NH3_feature2 354710.2736 111869.5428 207124.7279 186024.5507 320595.1691 472673.9745 449255.0598 563524.2366 662926.9151 704544.1556 68475.2959 167156.0507 275212.5456 285034.9424 94648.00594 271151.544 219017.8677 285566.7179 221753.659 355875.9101 237853.8113 368952.0835 201961.7222 450288.0238 616640.3408 27232.73754 85134.03391 161492.6691 106737.7741 183557.5814 520789.9578 381034.1164 492217.7121 424551.5384 716514.6797 140287.0415 243829.7545 496243.0448 245233.6494 288947.0184 245172.0058 970330.0135 195784.3692 191024.2985 97768.4839 243730.9806 126218.3085 115004.399 172017.7772 151796.6837 561339.6739 645536.1049 339783.3988 373445.3001 323901.4582 300279.892 327965.4991 332444.636 319325.0151 328890.2561 315398.244 329156.2672 307621.7117 350.8219963 345.6035584 349.1999226 389.7755787 385.6007525 364.0865845 TG(49:2)_M+NH3_feature3 199170.9717 54956.48079 131116.248 116982.5283 207414.2639 309816.1476 248190.0128 357343.9161 345044.2145 369843.8131 51130.00647 102561.9058 206322.497 233669.2178 71287.93924 259848.8979 170050.3976 269527.273 120307.7208 420169.9595 157201.978 184278.8194 107540.5665 207855.3409 374223.6374 20336.69817 60015.10731 104624.7657 68512.58857 99283.79517 32048.65564 33429.51297 335298.5958 222536.1527 542819.5691 91018.91815 22329.81516 276911.5701 119157.0874 3176.015937 129578.5155 535473.0342 132488.8609 123611.8032 7461.995961 124859.8993 97603.04528 84404.64025 128358.872 88377.65554 262771.696 290855.5828 218328.5414 231599.1739 160776.058 188888.9003 172480.7098 264057.9468 174429.3728 171797.398 186416.6689 187286.348 177759.9691 244.0760183 449.8539264 395.1731396 260.1457595 387.6764309 357.1847292 TG(49:2)_M+NH3_feature4 868592.1564 468443.8823 515106.7834 567059.0501 775270.1931 1167268.613 1454030.714 1757847.075 1879413.775 2135997.587 163557.4281 407993.8794 747245.7524 629621.4673 324416.2109 658600.0192 527812.7946 601122.0065 566010.7499 1050784.572 797338.1722 1032831.046 671102.2726 1255736.27 2299582.424 117851.6026 224604.8289 454952.6578 295090.3886 397234.5536 1879179.218 1607633.017 1439263.224 1513047.593 1875369.438 600565.5038 1140339.583 1981356.609 881245.0679 1029352.289 607261.6615 3688621.935 607730.8063 492467.2729 375963.6665 693210.4367 445270.9304 413687.1317 579850.1917 498729.4273 1339316.358 1456774.776 866563.8981 908167.3103 968711.5713 964056.8466 957260.4672 952115.3818 1025160.668 923598.8259 947380.0514 966978.7182 980625.6138 340.1051486 353.2692863 350.4895699 363.0776488 384.6161408 410.2625235 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 715302.4941 219291.2357 406648.6996 460579.3012 657351.3125 897207.0021 1195086.597 1618977.528 1738295.115 1889178.26 201236.2955 316799.0427 687268.9411 484963.4291 266842.6152 720230.9344 538559.7027 622355.2788 528184.1948 1099843.771 550153.1498 623838.0279 414739.4761 1114140.068 1884001.013 82869.37599 200930.785 415491.874 228977.7671 347996.7712 1386317.89 1192261.592 1356519.93 1287936.096 1938675.249 355179.7364 824688.4713 2140174.793 628896.0566 717074.3867 539658.7543 3891317.397 505599 450623.8541 252465.4592 595780.2943 339985.4762 309627.2358 483318.6262 396262.5189 924758.0662 951797.6177 594663.7419 592489.8542 844344.0446 769845.2324 764636.2795 743879.6716 803842.0044 786799.6987 799994.3011 802101.2216 787850.3295 325.4861002 315.3670688 320.0349838 332.7424776 341.5318552 338.0448237 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 67505.27554 29965.86904 77721.01426 67505.21132 92516.68824 131606.6457 132544.4056 141229.66 202787.893 186527.1169 37708.40674 66014.97944 143750.1711 56308.24096 50542.49947 140500.2092 86569.98542 111509.7451 68134.47321 204203.9506 60668.23753 102489.3873 59749.12196 102899.7612 393317.9575 20288.79585 36986.79155 71130.85953 47775.11217 59065.72743 225266.7868 233675.1167 173194.7356 132818.4105 245748.987 51819.63387 102713.9493 295527.7912 84905.73839 77762.50338 111868.6077 739487.802 119884.4222 64147.74559 47098.15824 89687.45008 64617.77862 46944.73841 79901.83566 64598.65191 84203.68549 83143.33326 57519.54913 59972.87345 114435.7959 108163.7832 113630.2207 117067.5009 113764.6223 117004.5807 109753.1332 107044.6028 117243.1918 321.2383234 339.1317763 320.1921479 336.94844 339.3972666 336.8164491 TG(48:3)_M+NH3_feature2 837603.0128 342506.2106 557988.4096 681622.3869 951895.2932 1431537.468 1250363.985 1565282.539 1917278.56 2021481.163 233929.6996 636506.1832 975391.957 1356664.668 318986.9701 883158.761 572071.3331 964683.9712 977685.2868 1001696.6 694580.9548 1006024.344 528067.4214 1296600.63 2264158.707 84528.5327 220843.2285 530695.8483 258141.5287 551230.652 1454921.842 1248201.478 1543252.581 1367387.041 2160205.686 418304.2477 624264.0616 1832124.828 658549.5192 700826.558 855962.2854 6925476.955 736722.2255 487631.1927 266040.937 796636.7276 330862.7462 377963.7414 594352.191 413536.7119 1389515.541 1488321.136 957339.0601 981196.3834 1065951.149 1038612.438 1028672.335 1088717.168 1062678.069 1066176.328 1068715.861 1044127.721 1043910.625 370.776331 379.2782237 393.6133676 371.7551668 389.7722984 390.793523 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature3 3188849.313 1321204.456 2164181.693 2766042.47 4391940.984 5192352.629 4184477.169 5460660.177 5964662.706 7765598.759 1395834.737 2871450.621 4663727.632 3701801.312 1697469.943 5039396.104 3576085.574 4084251.412 3489628.124 5799752.116 2675059.97 3855407.194 1876334.023 4877127.786 8338190.345 514292.113 1362641.144 3085043.142 1679418.406 2484867.072 5517339.467 4243409.648 5028228.873 5183574.45 7952338.222 1583103.633 2324137.321 6248509.522 2392870.979 3262486.536 3922940.654 18605763.79 3501467.763 2323063.395 1448929.535 3375988.391 2226164.984 1572820.701 2466256.787 2084882.685 4569622.653 4595481.468 3726036.351 4037931.138 4105247.065 4101071.914 3862546.756 4279555.265 3811817.256 4207862.203 4115932.808 3812706.726 4213662.339 541.4920585 1691.817206 1653.783942 605.9338775 1355.218452 1145.049469 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature3 2433542.278 926580.5339 2379833.515 2664303.523 3953545.854 4545962.302 3347330.451 4518408.932 4504837.202 7132240.783 1423374.407 2804750.105 5850338.508 4165183.217 1626092.663 7399589.461 4180412.741 4484975.014 2883949.57 6673925.551 2082659.246 3361494.923 1215442.443 3581294.963 8286401.55 619156.0677 1467597.662 3083434.743 1741279.7 2315657.414 4523518.47 3233078.122 4059708.457 4630429.607 6570182.014 1232373.03 1858030.267 5265251.96 1981092.855 2727132.415 3517696.511 18446522.77 3388975.569 2200111.777 1359122.692 3206743.514 2356648.986 1223007.523 1896186.556 1713369.097 3557390.898 3292346.044 4301339.39 4241219.519 3930700.196 3849383.531 3858631.998 3628515.856 3802043.673 3718807.994 3712891.69 3935006.612 3927459.341 329.6702274 319.1673298 447.7415443 309.1650704 292.3538671 412.7297661 TG(48:0)>TG(16:0/16:0/16:0)_and_TG(14:0_16:0_18:0)_M+NH3_feature1 1550124.627 645791.6427 1496571.962 1416674.498 2055164.586 2240494.743 2289223.85 3220571.489 3538472.97 4373702.111 911824.3365 2195953.673 3056111.74 1879176.526 1096826.63 3334775.974 1928694.382 2676098.372 1567715.725 4047699.749 1324311.834 2130808.694 1119162.042 2213289.694 7347268.889 472139.5198 875079.9745 2597870.152 1131368.846 1331253.157 4123412.275 3876750.643 2878769.488 2814947.863 4286343.446 1148376.001 1726499.253 4134104.405 1860464.499 1862523.444 2309909.362 13120727.78 2896878.867 1284044.955 900976.0831 1864652.973 1439496.864 968073.54 1446153.817 1174131.661 1674162.438 1796816.977 1653483.286 1830831.072 2625205.318 2766901.907 2702228.004 2732090.916 2817125.033 2632454.188 2698375.392 2594179.776 2792835.12 3890.101062 6033.104869 6399.374002 4261.154023 6328.174318 4540.251096 TG(46:2)_M+NH3_feature2 175666.9663 75870.24982 133278.1616 147239.0055 204393.7632 298702.0377 238132.5429 341131.397 398698.7305 409319.7917 72820.6616 165147.6519 347169.8485 314314.1512 96808.55329 314035.2892 164696.4462 236062.4025 186668.8535 331655.9425 129196.856 211144.1591 125857.8148 251496.296 870688.137 25144.63916 64232.15883 192365.7689 83719.39368 134664.8391 424499.5605 515195.294 321328.1703 282215.3086 449739.3992 105877.9372 144976.0999 392578.257 183866.5037 144090.9588 295297.2177 3242132.312 322730.614 100379.0204 76953.97652 200440.0191 113310.4909 115328.3965 191471.2653 140711.718 263950.0627 296321.7035 217319.4327 203068.8923 273573.2466 273888.2906 262063.9277 278251.4626 268718.6377 266501.6282 278037.1293 268778.2114 272138.2371 340.5377109 519.4474157 361.7704355 350.1239213 367.2087167 404.3116881 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 190344.2843 62651.95937 237130.5638 205108.6739 391286.2857 510524.7559 230836.5891 381633.3356 426213.1611 603750.0295 115791.9449 284043.516 807021.485 489687.2948 126959.9633 967811.0901 466184.5148 520117.4626 277544.6295 845975.292 144769.2827 292030.2868 70316.86286 300813.6709 1092723.893 33830.2411 121892.91 338263.2456 138749.4068 221539.8488 415666.4951 355380.1874 355090.4774 371243.8603 632833.6317 69362.77659 123130.4626 439032.1777 170362.2778 187725.6446 385826.8216 4507858.45 429751.3768 180579.5567 90881.77235 292607.2803 190107.9114 98461.53659 162211.8545 139166.7961 309296.0365 325501.669 452034.3858 480890.3356 400076.7921 425501.4379 384724.7271 418071.1006 381736.9511 395417.9883 409765.1942 403185.4489 411514.9227 381.9728939 991.5770656 721.8317438 343.0570801 393.8569871 417.3250382 TG(46:0)>TG(14:0_16:0_16:0)_and_TG(12:0_16:0_18:0)_M+NH3_feature1 119082.0077 50049.11628 175611.3185 149787.8476 253433.5943 288522.288 121770.6986 214242.3188 249571.0382 342727.2124 75269.60189 242352.6609 558003.3443 242593.9428 95839.65111 657543.8694 337587.3255 332205.0222 172168.9178 665132.2356 109910.8107 215834.7165 48282.01505 171174.4828 722907.6508 43234.14704 114054.7626 362648.8749 143925.7407 169919.3118 319153.7048 306816.3472 219535.4728 229474.5874 326973.7059 55449.15978 56940.10682 212912.672 106784.83 114889.6977 288379.7576 2088799.003 334952.5753 122133.7525 76029.21465 184242.1699 177845.4697 47597.5568 107734.156 96417.23712 161409.5307 152313.2095 225810.2398 218502.6748 280395.0814 295877.3871 282351.77 266441.3425 278648.0155 279859.025 279893.7882 278411.684 292287.8642 399.8616707 510.658234 371.3312555 443.2132253 408.3049061 625.8766629 TG(44:2)>TG(10:0_16:1_18:1)_M+NH3_feature2 42838.16607 24736.07065 32765.30946 32753.20087 37431.51778 71580.92431 60223.9738 80912.74828 94880.80639 70259.17832 16106.36074 41764.90302 43805.94206 45708.24233 14822.79334 45530.40767 21584.09275 48294.10636 37220.94358 55226.59833 22919.82826 56801.64196 28231.94377 38442.64675 306581.2189 4404.141157 14876.9051 51705.53792 15207.70851 29589.91927 115899.5736 175958.9329 89799.52327 58881.31036 95775.99006 32571.01264 41598.66596 108910.7775 51525.40166 27871.07726 80362.18119 767547.4218 66272.44448 24644.85605 11854.01493 36312.51729 21554.13827 25907.57778 41476.0296 34351.6161 55485.35391 55884.99477 36480.43482 35401.04789 60637.5389 65161.54512 61025.89312 60423.07002 61058.45583 60333.95053 66672.90904 63322.36757 59023.49174 289.1874986 298.4398925 292.0827525 315.374438 322.2975814 333.0682316 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature3 28124.23936 10258.36895 23844.71427 24949.68826 39231.53944 55522.90543 35649.10084 59167.81079 64558.90179 67395.99002 8707.056533 30864.00014 64669.55356 48052.50139 11927.44532 65737.18007 27992.7181 42429.96131 26669.23394 59831.00517 14411.87304 34454.39173 11419.10275 30474.15721 188639.723 4112.877824 7924.593814 36469.51829 11077.27388 19912.5784 78225.27651 108477.0138 58388.02166 48321.06642 81157.29663 14710.86722 24098.00242 64193.32307 30628.91748 24479.80244 42802.0548 806921.3568 54104.74384 15197.42614 10076.26685 32044.82164 19169.88145 14106.14774 22137.27045 16549.59046 35786.87457 43278.41796 41379.83149 40226.16521 50597.08073 49673.7239 47649.45892 49786.58288 50466.83155 49208.88068 48964.03916 50446.45245 49470.52047 319.453884 312.225499 318.3794539 404.4464277 379.3729442 391.6464913 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 3709.978875 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2138703.658 2138436.747 2060199.224 2149212.28 2430858.929 2303011.718 1637292.116 2581368.256 1752632.532 2117841.398 2086918.351 1872952.076 2094591.223 1900090.005 2103221.144 3116669.371 1894414.117 1578127.692 710.1706873 1072.199169 965.2792063 624.983613 900.3404264 829.3729151 PI(40:6)>PI(18:0_22:6)_feature2 258247.6449 310751.4321 181000.4024 189073.5646 152193.0037 238636.4119 505479.1063 379427.3336 282299.783 257926.345 142699.2763 121962.4435 130873.4892 197378.7445 121110.194 228078.3012 151569.803 251295.9647 188759.2543 210520.288 183092.5481 305831.0386 263629.6421 217316.9451 371654.3671 159042.1967 215173.1769 178635.7107 223393.3981 214287.3986 232671.432 209581.9786 262382.3911 289948.3601 354857.4241 461948.4424 286914.2911 349207.0819 252070.0344 200772.7135 94975.02732 117751.0753 70423.25023 111159.1527 123688.0627 94829.11463 159053.1252 126104.5966 272281.8179 92046.58643 107138.6537 110492.2396 106056.6743 114523.8153 213797.6963 214902.0967 197853.6648 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34362.7472 35346.69741 48368.53743 43356.73785 214.53527 202.214648 228.4914187 283.3199522 301.0156474 312.6810774 PI(34:2)_feature1 315336.3857 442053.0688 275095.1084 251051.8014 220348.7735 406511.3175 445187.8817 350906.657 306454.3924 220457.6785 118582.2589 145299.4508 166920.2854 152787.8541 81361.24583 287021.4384 169784.3386 376576.1063 249519.5357 190476.0607 286410.5404 437756.9981 302059.4012 260215.1106 346603.0856 138954.7736 192669.3515 231785.883 267450.9949 395006.3789 214548.6173 240561.7463 273963.605 366886.3774 278889.3253 444651.1701 423139.3079 394316.1271 323891.2412 230688.0368 188089.9331 172821.5184 90871.25753 94338.09227 121045.8971 104000.0017 134297.496 138204.8626 248217.2975 132491.8545 163000.242 158763.2508 164451.6059 141436.4824 227720.5315 241604.5804 255880.9863 242026.5352 335452.287 251697.1373 230401.9758 236182.048 242822.9101 577.8756453 576.1787122 586.208675 634.6548021 588.8142367 583.0030182 phenylalanine_feature1 47618.34706 58654.03673 47822.30731 52596.54029 32399.64524 66985.08584 52287.54587 80121.22852 38141.64606 40966.32759 35790.27103 55811.97551 47779.67425 33320.37291 44893.57938 61659.94292 39628.81454 44024.80011 35320.9075 67168.93302 51212.86565 103718.5021 32882.24881 38782.44939 71406.50934 35788.44501 62616.68568 61246.72837 43508.25155 74506.7418 42285.48707 33254.23819 66438.63137 63305.54374 32873.80375 71469.2659 53119.13003 71553.46815 55070.98492 52561.91982 39273.25408 77771.37976 30132.88433 47052.13992 44959.14768 32430.13548 42887.23359 43017.05559 61557.40529 38993.43689 33338.46526 36318.20072 26085.27399 26918.31238 56074.93458 56983.28228 41537.32045 49596.1649 56494.09269 52829.55036 51087.34001 55580.15738 51000.64345 72.26710721 654.4857835 573.4636503 66.44855716 559.5081717 559.7469189 PG(38:4)>PG(18:0_20:4)_feature3 538185.9068 599254.8922 552179.795 561941.3981 324521.9589 648771.3924 750902.6867 452229.8993 559897.8081 590045.9535 519285.7317 522796.2461 543921.8685 647859.3488 351315.0294 834637.4766 576673.5791 762528.3489 583862.5462 632127.0422 446472.095 627815.7189 353938.4761 336245.724 587715.0692 535222.0889 696158.4369 561737.0056 643911.5134 858067.7044 272743.007 491260.0191 319018.8779 570945.1252 512407.6271 523773.9354 356176.4926 411481.1516 524001.2516 263844.7068 648947.618 508309.126 508272.0042 329326.6909 491767.9079 502367.8992 533024.3351 465958.1144 574230.242 382673.4021 446602.0915 510916.0987 369453.7697 464447.2666 539209.9922 422953.9219 542219.6576 537508.8556 542958.9812 413834.1968 551077.3645 419332.5491 568960.2511 402.7772843 388.9782834 395.6186707 465.69799 456.0695516 462.9236365 PE(O-40:8)>PE(O-18:2/22:6)_feature2 213928.3042 246120.7765 269852.0811 252400.2602 237135.5912 236095.9716 297283.9357 297820.7591 294225.8699 272204.2063 466514.0136 416304.4991 407392.0254 513152.4229 529650.3862 457006.403 411519.8482 532007.0622 539401.4195 417316.5114 238931.0928 281101.6911 345362.1239 281401.2398 276836.0941 443419.2632 573036.5101 466252.2736 474338.656 528596.092 281197.5864 290797.329 371740.752 318110.8625 330483.0438 370554.1518 355996.6547 374835.2568 313539.3112 254283.9894 490651.9417 413630.9258 406941.9471 435299.6555 458699.7108 576072.6871 436956.8155 536376.3805 645572.0522 521707.9184 294856.8442 303713.9942 219818.9782 234802.5389 361155.3207 366703.5815 372036.1617 375170.9333 370045.5323 347880.0238 357913.9925 365345.1119 378249.2795 209.8596778 201.9313864 205.2412064 229.1880984 228.1495203 227.4668881 PE(O-40:7)>PE(O-18:2/22:5)_feature3 92658.43995 102610.1381 86465.33496 128333.6455 92522.8706 109495.9023 135591.9567 114249.3386 106291.9176 46053.66461 79675.7023 82576.33387 107661.7252 119102.5524 102958.4137 110922.5147 113926.5762 129792.1859 124745.7878 88613.51148 88278.6256 102917.3478 145003.5339 127724.7472 111309.674 117833.655 140986.3717 136760.481 7644.397425 131033.1294 296823.1321 89167.03888 112867.3621 111478.5007 112744.6769 130877.8458 139951.2856 134702.3816 133136.2414 83114.56662 109842.2817 105185.7107 72115.77812 93602.58362 95656.00468 128622.9644 67369.04543 111122.972 115975.3124 134579.6981 120011.3262 122461.6042 115304.3659 94648.37451 106319.4927 121341.5554 74376.2146 128403.758 104334.4691 87884.00313 111121.0295 100970.6048 113953.8736 190.6578075 208.6784948 195.4815956 208.2727844 201.7655308 209.5857215 PE(O-40:7)>PE(O-18:2/22:5)_feature1 146815.6358 150490.3837 137149.5124 157513.8249 138624.4449 154293.4748 172980.4493 156053.8469 156349.0312 143469.3753 114959.5185 119038.6247 151069.3494 161779.0716 134476.6887 141848.3854 160759.1271 163442.0288 157994.4225 126233.0781 149880.1138 145347.9224 194463.3981 173130.0362 145837.0413 153071.9531 182450.2114 168893.0829 143039.643 168576.4239 336110.995 137643.9585 151019.547 158483.7295 163509.551 170712.0782 176654.7844 160600.9041 165770.1989 120178.9221 143317.8014 145849.2468 97450.29905 135425.3945 144255.8244 167116.893 113441.3229 153751.698 143045.5633 180433.5404 174038.6924 157782.5692 163425.5577 134268.6192 139446.6522 168507.1196 100870.9816 168356.2911 128465.0974 122382.3792 147296.714 148346.4542 143157.4503 481.835405 529.5134802 557.7869369 489.8522516 530.3769717 527.6681177 PE(O-40:7)>PE(O-18:2/22:5)_feature4 92658.43995 102610.1381 86465.33496 128333.6455 92522.8706 109495.9023 135591.9567 114249.3386 106291.9176 96249.93938 79675.7023 82576.33387 107661.7252 119102.5524 34521.56263 110922.5147 4756.564847 129792.1859 124745.7878 88613.51148 88278.6256 102917.3478 145003.5339 61264.63742 111309.674 117833.655 124973.5887 136760.481 7644.397425 131033.1294 12071.33906 89167.03888 112867.3621 111478.5007 112744.6769 130877.8458 3767.561437 134702.3816 133136.2414 83114.56662 103313.9114 105185.7107 72115.77812 93602.58362 95656.00468 128622.9644 67369.04543 3087.290274 115975.3124 134579.6981 120011.3262 122461.6042 115304.3659 94648.37451 106319.4927 121341.5554 74376.2146 128403.758 104334.4691 87884.00313 111121.0295 100970.6048 113953.8736 48.14796003 47.33444926 46.12614848 51.0122334 47.22429173 48.99225911 PE(O-40:7)>PE(O-18:1/22:6)_feature7 228388.8712 303177.2601 316522.2944 305546.4344 255519.9333 308904.85 361296.1962 339097.768 313802.3133 308179.0493 333426.4189 301622.9747 339813.0432 378610.4258 354321.6446 407920.0161 326713.7674 464230.1365 464779.029 353623.4226 204418.234 305165.1565 449872.4855 289731.6549 279896.6097 307428.2943 481962.1586 447077.4134 436598.0823 600597.4032 317956.298 326388.2433 440066.0759 434783.5443 301285.8917 482795.0859 383699.4286 500346.1107 381245.7435 237397.1413 486880.5446 310496.6589 300221.4101 407902.9423 375502.7835 491676.2264 354612.2555 442148.7471 612455.7053 529106.8393 326410.6403 331976.5181 248975.2577 248616.1735 368823.3215 357590.3211 354930.6031 374450.1875 370989.103 327157.7288 358736.2438 366269.9938 373335.5279 510.0379785 460.6849103 452.2670393 468.2372019 466.1711247 433.0462187 PE(O-40:7)>PE(O-18:1/22:6)_feature6 169273.7951 249998.3765 302660.2211 270712.8076 256238.4541 352692.2371 205392.401 192940.9235 177932.6195 182054.5588 154126.6278 145878.7356 225974.8075 194399.1056 169111.9383 278228.1019 199718.0179 222666.3518 177356.3778 243006.0871 124351.055 224964.8819 190028.9715 167592.0261 138984.6552 130459.2775 201076.3724 207954.5786 183839.9511 242595.1594 174126.7864 173242.4298 206566.2893 217562.5743 164057.6091 242659.4531 227122.8229 238841.8567 206878.2621 162729.4279 216065.244 133292.5713 164875.5339 176712.5091 185734.6363 208253.4615 150536.4952 169880.7143 208748.5656 204226.667 177058.5191 161453.7952 173562.0983 169323.3433 201035.3663 198866.519 188330.4635 193034.5961 182934.2281 179532.7655 201231.1903 188135.7712 206443.1772 394.982775 591.7313557 537.9412369 410.0873349 573.4811911 529.140206 PE(O-40:6)>PE(O-18:2/22:4)_feature2 116519.4886 158201.5983 139616.8563 159588.3733 139941.9452 141293.2852 181496.0306 155020.8216 98470.96489 133759.8373 118466.5136 94478.81768 99511.20082 131183.4564 121782.8565 138214.0743 100325.8191 139699.7145 143442.7631 103475.744 83302.72741 106457.6811 157844.3529 110239.315 110464.2736 98101.05221 165951.0738 133860.9248 109770.8644 146540.0346 150529.0003 145848.6672 186146.2693 192129.0612 141360.7807 237024.7631 140453.2021 208780.9321 161545.2246 114438.7417 164491.7572 116109.7675 113142.3859 131538.1788 135397.2897 189041.4759 126505.1134 169873.849 239718.3787 176584.3423 116512.1641 136609.1917 101721.5259 108928.3594 140009.1314 146299.7188 136579.5772 147009.9289 138591.6325 144247.9739 136216.3398 144747.3758 142503.4093 508.7923821 484.3742043 469.1646026 522.8514229 491.7887443 483.2399701 PE(O-40:6)>PE(O-18:1/22:5)_feature5 10682.2983 12055.89896 14165.03813 14728.90504 11458.70062 12399.69064 16673.10114 17385.62327 14556.81013 12727.2676 12001.31619 11776.62669 15203.22659 14937.42856 17117.86979 16415.65911 14255.50158 16806.56132 16836.14407 16032.73266 8234.271635 9916.699029 13569.54429 9563.460113 14386.90772 12040.10359 20308.72993 17471.26408 13994.0148 20821.26707 12859.35202 12265.4952 17065.1645 18402.64184 13449.46495 19847.94565 15175.96043 27008.39526 16899.86722 11212.57644 20914.4618 14193.399 15059.95914 21557.70805 18932.45787 22590.53329 19953.21591 23936.948 34042.38855 28215.89759 11102.70408 10090.73422 8898.446914 7657.661271 16740.1746 16440.87167 14801.30454 15662.32093 16402.52577 16234.75556 16912.23543 14780.72306 16693.09835 277.8572458 270.1413727 273.2490219 255.416444 252.5362884 258.021981 PE(O-40:6)>PE(O-18:1/22:5)_feature4 248909.7522 274020.6973 290872.5766 306972.0343 233606.1269 310823.3892 361211.7529 369447.2134 299167.1252 330424.6186 211256.5869 206614.1763 247305.7758 281958.4751 250759.7039 282545.7435 211446.8056 306923.2375 321970.8461 248789.2078 222527.8929 304291.6595 439481.4465 285793.6449 273954.4432 194936.9542 339503.912 315615.1619 309830.9286 413865.9617 296936.7675 273130.813 278435.2745 372784.102 256135.0724 407013.7802 323354.8314 396573.7621 305642.5576 203165.7659 301499.3305 233149.929 196217.7786 225909.969 219983.975 303866.1058 185561.625 254445.8227 354455.2452 330599.9964 383918.8481 335901.9878 272894.0984 238272.631 283600.9649 280116.5809 283339.4113 289752.6328 290206.8928 303533.3375 276228.3497 272988.8056 289321.3332 563.3059931 519.2550829 574.5905721 518.2407149 536.3892614 526.7337232 PE(O-40:5)>PE(O-18:1/22:4)_feature4 339267.5695 374795.5586 378908.4229 443147.2614 345969.9684 391266.7401 443276.9904 485066.8408 395980.853 405521.3183 299910.3933 254163.0255 263901.0887 312743.5219 299815.3247 307526.6776 278831.7692 364275.4987 388394.8945 304186.0257 242604.7663 237481.3873 425851.3973 293408.4427 330658.8534 236624.8495 459310.5654 419774.1457 305878.0992 433060.0572 417773.9792 405636.5642 504188.6493 485799.8641 369373.5639 557177.0551 444008.3685 561908.0439 465742.6398 320178.5983 444128.5571 320005.2387 309286.3804 380443.6563 348926.2872 439388.9564 329051.547 461810.708 607419.2793 514594.7544 379879.931 366741.4527 309500.3408 287278.5372 384876.7304 401194.5717 392050.5233 383386.4045 390788.9711 380278.0751 391561.3226 386462.5265 397862.2589 481.8881168 724.1325581 717.5890538 447.6962624 664.0889186 636.7784115 PE(O-40:5)>PE(O-18:1/22:4)_feature5 60386.01816 73697.3944 75663.44983 78065.72716 64665.81229 75105.46551 86619.17333 78255.49337 75542.96317 80999.57894 101591.3382 95679.33667 85864.9807 97945.92513 93556.00426 103047.1794 91708.85233 127785.6975 117693.4464 103204.1451 44452.55812 63406.69519 80536.80482 65144.21959 76492.73475 80604.25935 129196.107 73945.20311 116487.9459 138576.1654 74009.02963 80286.82026 104515.2077 98706.51892 73027.12637 113105.6087 84773.0313 104184.4805 92736.66107 64087.26116 143606.7145 103561.037 96738.68148 121268.0955 114165.386 135965.8949 109666.832 136948.7496 167057.0078 155573.7125 98443.07322 93743.88992 71757.23218 76652.8715 90683.53353 88748.80245 84649.40523 86399.59858 95676.31542 93387.00833 83493.42237 89436.34556 88823.84188 446.6308681 429.1062459 428.42963 456.7487827 452.0753942 464.841529 PE(O-40:4)_feature4 9095.38942 13204.60983 15907.50245 9360.145192 10708.53791 15534.22386 15280.5792 14164.56793 14061.73282 24860.86853 17646.70153 21632.83391 28024.8761 22242.90144 26298.48666 18498.32104 18773.6548 42896.51897 37448.35005 34878.96455 7972.414828 12467.96813 14988.22823 12325.88904 16331.1772 14479.9176 25125.22046 38587.74923 30825.64413 47560.03628 13326.08459 13957.26017 20811.19347 17336.73165 12311.45256 20244.36884 9548.084568 26146.71216 11400.07415 13926.97356 30886.2317 22968.71308 17479.85846 32769.20669 16981.65165 30095.37311 26583.59288 32047.81068 31911.14513 30666.25386 12316.75556 14320.13532 10932.467 7992.30023 19089.27633 17034.85559 15566.17833 11434.96642 18144.25303 17084.37521 22098.83986 12965.26277 17092.39521 240.2377385 251.4702992 250.2134806 259.1123857 265.2887869 255.6534902 PE(O-40:4)_feature3 38646.96863 38801.09165 35355.35904 38178.47497 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31364.24249 44565.01593 33825.69776 41622.1243 8575.523754 33913.76256 64871.65638 15032.02541 17680.98305 46287.29098 28881.31249 28260.51813 21312.79097 44805.83582 51590.77925 70261.0965 62122.09535 57947.55024 65036.88144 58419.2817 56242.69903 60538.43956 59358.58369 64953.18037 64298.5036 54203.16194 165.3488104 166.4406235 161.4753372 158.3319004 147.7034768 154.9375949 PC(31:0)_feature2 901771.1976 994480.8308 1266545.098 1050422.362 1040629.858 1235815.539 1206040.386 1256932.055 1096767.724 1164915.098 1056309.959 1000500.862 1123928.699 1116375.092 1051006.644 1262481.307 1048527.212 1313402.465 1180490.165 1182949.68 895559.6718 1167320.994 1120832.106 907080.7966 1057237.548 971253.6024 1347273.006 1211930.038 1220114.403 1437733.45 1146687.825 1107413.142 1295131.075 1217845.891 1018269.706 1226944.713 1188551.947 1223531.075 1169767.301 906676.7573 1226692.581 960993.2791 1020849.224 1174250.323 1108427.057 1251376.069 1141445.176 1160029.33 1612649.605 1397527.641 1256006.147 1285483.12 1149603.187 1154285.931 1172754.727 1163418.387 1133397.373 1164005.746 1180786.632 1120271.971 1101383.301 1179449.216 1192338.112 211.9794783 238.1481931 216.0328676 224.0468851 226.3037946 209.0309814 PC(30:1)_feature1 76885.97857 73973.80325 402189.2896 226194.929 306404.6475 547270.1249 80953.41322 93498.59866 105920.7234 111454.8058 62812.61056 71050.10435 171365.0219 191862.0952 55996.91983 467911.203 155386.482 261443.6937 146910.7333 169360.8751 75851.83073 167692.608 57917.73644 99725.00228 109239.9919 29259.18448 88407.0564 100152.9218 72274.25279 164381.6937 91319.04961 35905.90914 107676.8077 175888.7815 112217.793 82847.73327 68860.63599 107184.1885 82831.17988 62954.27423 132297.3562 48772.22473 68680.85878 51745.84235 49012.18396 90342.36296 43265.17707 49438.11672 91720.44589 74534.54214 85479.85975 81586.87646 139366.3383 136715.9764 121288.2198 112205.1137 123531.9235 122511.0401 116104.8264 116728.4655 126347.5334 112765.5829 120504.5095 465.1890851 536.0846611 431.0637752 932.097158 1050.48558 1910.843491 PC(30:0)_feature1 844107.6597 864992.6004 1500538.149 1221605.704 1449235.817 1909573.551 971548.1651 1080264.678 1098198.393 1221474.254 973182.174 947036.0205 1554601.121 1546037.176 1135486.609 2347999.151 1521108.773 1949240.822 1447662.299 1507361.597 809750.5421 1254229.582 877116.2273 991915.7258 1084934.223 978235.5204 1427871.913 1257297.773 1176682.199 1763552.26 1024768.008 746351.0111 1240905.543 1347427.523 1041081.169 1110701.568 964443.0533 1248751.484 1026570.41 829110.0788 1578297.208 874482.8107 1029589.738 930486.3085 1047435.19 1377310.292 941241.0216 913369.9648 1494651.971 1196533.097 924304.609 926390.7725 1085748.282 1036208.66 1208068.652 1191567.811 1226311.636 1192870.634 1198787.502 1191529.086 1216139.604 1232840.885 1180966.143 443.9971341 410.8045997 408.1388866 428.1635467 420.3158458 437.2205346 PA(34:1)_M+NH3_feature1 35454.26072 81682.02257 39674.53975 51795.46183 27401.75853 88059.46661 87540.53393 58870.44244 44400.54965 49462.62447 68083.68483 51996.66402 119598.9792 124843.2876 60230.92541 94343.62452 62219.72057 134801.884 95182.66125 72513.95534 21844.89292 35787.57467 45574.69961 28778.67413 54523.78517 42537.41677 123881.5087 65750.4823 89381.788 145798.723 30895.89449 39037.08302 38971.67484 31060.83787 65500.27859 86220.96523 66868.89012 73038.26258 30628.58197 51912.13176 158915.7941 48971.037 72260.92095 161777.5669 132878.3315 122661.9286 82123.26723 85939.0048 166702.0529 111783.1494 54719.17261 39657.60171 32507.58291 25541.24741 75782.25868 59728.61804 68044.34633 67668.28133 61696.15797 70092.45872 84520.26631 59261.71469 65666.41899 349.8855357 370.0311106 400.2448286 343.3974069 351.6368903 384.8346474 octadecanamine_feature1 24425.21296 25372.8634 25594.10864 26678.78198 19870.38969 16343.13887 20665.3841 20319.15847 27556.21024 17166.79687 25451.87882 25020.8793 29208.50957 34755.68379 24191.61372 38120.22251 21332.69222 27033.19765 29437.39731 38577.69691 19038.69399 21434.34148 16805.50553 16546.24814 25292.52347 21511.7315 25258.28781 31988.34442 23505.66993 34349.75858 24374.79484 13758.8125 21102.60418 22056.782 16641.10105 20767.60107 19696.16181 20664.52043 22569.20335 22187.1375 32248.8165 27719.36126 26680.84066 38700.02125 36062.27455 34729.69962 30846.59713 31966.0027 35223.47503 33324.41241 25093.19317 21289.46855 24970.63381 20492.93503 27250.29517 25826.17464 20346.32645 18912.98859 26566.59871 24765.21023 27179.63142 27602.88922 20315.00384 167.8612185 153.5859924 142.4560722 151.1569369 128.1380534 126.5889631 LPE(18:1)>LPE(18:1/0:0)_and_LPE(0:0/18:1)_feature1and2 58534.53533 47007.17964 48183.65085 34834.14735 37515.45086 63114.52881 55852.96588 51330.56098 34008.49892 28038.9917 23424.53499 17333.30866 32711.51015 54030.58122 19925.28258 57451.8715 26049.89637 42592.89565 42494.30233 33623.756 27120.98048 32251.847 37454.0009 29666.95023 21172.65573 24060.57039 31972.14011 22916.06865 21790.06087 53170.91289 30904.88995 29131.70747 37119.56337 45383.75164 24306.70885 42585.10678 61017.6317 47878.98499 42481.05434 25197.72565 29037.77708 17080.66413 28397.23233 24368.0557 22378.70423 40412.9472 21727.43803 25153.77709 38340.23338 39806.59094 34015.26952 31878.78511 36262.02896 32431.265 36638.86772 35431.36165 35272.30611 33732.23874 38105.28866 35309.60206 35494.19052 35396.909 36101.71041 391.4834998 404.4841949 411.845249 381.7275267 422.5310765 405.4536072 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 402122.7837 455319.3786 465329.3688 361633.0791 486571.2306 646123.8277 463529.8535 358356.3358 344409.1353 312865.1759 415145.3447 328997.5393 411966.2637 447328.7532 427542.3526 579628.4956 335950.6732 477290.2744 602504.8579 520247.3445 257660.1834 349111.2389 434845.9533 323051.7981 267709.1046 343657.7119 457375.8727 362361.8607 325215.7189 640148.5427 380852.7612 327277.6614 458531.135 421485.0508 273259.7383 532748.8037 429845.8925 538977.5464 449337.5935 280406.4782 539808.7998 329755.5535 418692.4052 477584.3389 432697.5589 707273.9407 429803.1794 495138.2877 683044.4613 635286.6006 234412.1864 242851.9149 224352.2385 217730.0958 430115.1914 414327.8257 417515.9215 416236.9514 425405.2019 403627.6324 439171.0463 394167.1746 437008.0868 321.5630052 276.6538342 276.4527691 304.5067848 270.4699937 264.4588956 LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_feature1and2 339800.1825 302609.0267 337090.2273 279630.8329 328111.1459 447312.986 370461.7193 298962.1817 261945.825 247141.1896 215223.9744 182542.4708 246265.0759 312637.7735 217205.003 379333.1467 198647.7786 299828.4691 355718.3975 295863.8728 200122.5909 252825.2201 325455.1651 240082.422 194104.4108 199233.1658 273510.525 226426.3719 193929.4098 388122.9786 273178.9303 233463.8182 326209.107 319570.532 216221.4175 378738.4792 352160.543 417476.9655 331111.4231 214948.6626 305394.3807 201343.8379 208215.2241 242364.1045 222585.8274 343314.4069 230049.7523 254734.7354 369686.9645 311548.0802 177864.4472 175610.0153 176006.6483 171299.5315 275877.916 269801.7994 273218.3582 275960.8441 273028.0449 270389.2022 268677.7636 267159.6762 281997.0329 669.5453872 776.1245835 746.8414941 656.3625287 721.9765974 731.2828946 LPC(24:0)>LPC(24:0/0:0)_feature2 57373.39969 85595.15502 101679.3173 93646.34223 88959.26353 105771.2662 94932.25677 79474.04534 78196.17684 78711.13101 78323.10331 68141.81023 97573.17379 102796.6515 72474.15839 129505.4295 81953.27458 118781.7262 114031.6295 97792.47163 57445.47823 93290.51847 110302.7239 65683.86606 72811.40443 58917.83433 107663.0508 102842.1538 93983.57021 146457.6897 82335.91704 71363.34713 108638.3457 109639.082 79570.94132 109505.2462 92958.6158 106777.5776 91555.31866 59392.74519 133108.9523 67756.50572 74707.31806 98745.48613 86005.3534 117550.564 76143.12812 81894.66175 133976.5072 135801.7062 75105.31869 77357.58506 65254.28046 65122.17611 93104.93154 91551.72017 88536.40404 90878.81311 90102.56406 94823.56711 86638.21649 89941.58657 94447.15719 413.6013347 414.1486782 413.7936815 428.9205082 456.5187308 433.3668841 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 286089.4851 152238.0326 239469.3466 165730.5916 136527.685 194385.6379 345891.5386 334295.8576 205792.461 200672.9354 182309.0543 195967.0072 236852.4322 273626.8728 234768.8639 421294.5845 255253.4 368747.2629 305254.0189 321856.1659 147216.8994 163979.6979 250855.2731 152497.8274 178813.3509 250079.992 290260.1103 300474.1402 247353.5197 507462.6082 230197.5378 138523.5457 291907.4901 301264.2984 202998.274 276422.6138 391250.9082 415538.4485 249346.6682 180226.8327 301026.7749 206527.6962 140489.3542 358094.4022 242101.2167 294720.5556 217544.4879 296343.1987 397959.9876 384708.3677 237028.5818 202031.3768 210273.5445 173750.599 263229.0115 211117.2436 239453.142 234639.0531 237018.7868 206967.8107 248595.7288 224733.1988 251939.2125 254.2822 1177.236458 1080.631175 215.5807811 913.9665817 977.0373388 LPC(22:0)>LPC(22:0/0:0)_and_LPC(0:0/22:0)_feature1and2 23763.41059 34349.77664 36797.08705 34553.34608 31994.28054 37901.7215 34776.64561 31325.09996 32337.61439 30463.7103 33953.7543 32189.91227 38645.01235 41220.69825 35029.36794 49616.68813 34651.09165 48280.4747 49828.53917 41175.87442 25175.41786 34132.6808 38303.24812 26919.39057 27756.07481 28800.07493 51790.32878 44863.46356 39887.52573 60166.95867 32840.21306 26870.67701 39609.24202 41381.06851 30376.60068 40503.01324 35284.44017 40575.7811 38220.96067 24579.93525 49918.63394 36652.46888 34218.62179 43318.63887 36231.70309 49987.9265 31781.70406 38277.42707 50459.95241 57230.51013 26850.02954 27794.51156 27722.94646 27178.38981 36687.94717 37983.96418 34794.03299 35653.39394 35616.52906 36994.16263 36981.03777 37098.77647 35858.36537 205.3725319 265.1910371 254.3309139 205.1981538 257.656128 254.5063229 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 2162765.97 1702188.762 1906461.702 1400933.274 1403116.143 1916322.28 2598915.236 2424428.665 1532659.058 1629589.968 1193847.217 1025085.08 1386477.121 1587370.497 1258862.042 1871349.113 1211089.784 1915897.904 1745024.705 1571539.569 1146390.834 1267260.325 1785456.434 1172809.081 1253727.725 1105158.055 1202236.557 1308364.017 1237951.86 2195177.184 1673332.462 1343551.531 1884127.698 2081726.793 1506595.418 2154253.362 3039917.986 2624940.467 2115483.731 1284159.241 1590670.742 977367.9428 1125147.419 1785138.769 1352456.592 2120898.356 1357931.551 1487265.29 2365373.717 2387536.97 1603231.727 1795215.049 1646095.652 1612397.533 1680815.866 1631113.556 1563115.635 1630769.706 1522165.896 1615995.101 1688264.105 1572082.401 1660641.1 279.8592188 2226.861831 1301.751131 287.6399761 1478.90623 2125.467503 LPC(20:1)>LPC(20:1/0:0)_and_LPC(0:0/20:1)_feature1and2 82017.42766 84419.93354 97668.41235 78978.41829 59473.8136 99644.66675 100850.6357 88345.82253 67782.36228 68083.28204 59117.38245 53879.28217 98588.72959 145754.2017 76284.73717 157462.5642 78793.54387 110507.4899 109009.6193 92409.05874 59873.87118 79704.27586 94937.20617 59631.59376 68196.61885 51187.45992 71821.79448 74348.45836 75891.25472 133454.0036 71167.18077 66505.43419 115497.3299 102040.4602 68919.0869 112720.2082 144530.8294 107884.6388 116399.1315 58769.48185 84444.89164 52605.2403 72506.65181 87704.94319 66906.83322 104143.598 71443.13821 80257.92651 129422.0092 116809.6675 90426.80692 88332.75569 93933.64588 85186.60176 83938.96314 90621.51644 80311.68524 79265.13235 83621.38708 78500.26306 88164.52609 82123.71172 86786.03607 289.7479646 242.9150423 236.4676432 278.4669572 246.2866052 235.3556068 LPC(20:0)>LPC(20:0/0:0)_and_LPC(0:0/20:0)_feature1and2 43084.48544 69741.02386 69009.28759 61312.42986 61560.28081 86507.83908 76684.41014 67667.03875 60561.2075 63800.03404 50545.4572 42650.90958 63300.82219 78334.62774 55867.7752 83300.57363 59975.93918 70337.08282 76835.46118 72675.3666 45747.53462 75327.47912 63136.45514 49288.98584 46151.24238 41034.12983 71295.42836 60903.11652 61233.15247 86357.08471 58165.94245 49473.73834 65981.36929 80147.54362 50132.10331 86556.44746 87581.715 76209.46862 75185.83494 42390.59605 63526.89962 50662.73957 48423.2938 75878.69958 58334.29063 68152.4861 55429.5546 52543.41246 85568.27243 82343.27615 60801.21845 55959.97126 59965.23238 51697.37251 56504.16619 62374.67862 58081.51207 57822.33373 59789.77518 57313.40507 59624.76386 55054.43523 61733.12264 596.3230105 684.2154131 665.9507031 656.1649515 742.6139307 755.9273587 LPC(19:0)>LPC(19:0/0:0)_and_LPC(0:0/19:0)_feature1and2 62814.76756 66255.46613 126651.389 75324.33967 76238.32486 117376.7935 160691.1685 118257.4588 110244.6649 95070.05904 44295.19806 33990.74425 47477.60894 64169.60255 52587.6502 61343.30757 46665.21779 84739.3081 61406.07983 53511.25253 54889.38072 70977.45786 127022.5034 83134.74859 89018.24148 40514.36485 49689.51022 58049.91086 60918.86915 81213.78402 106081.6781 92068.81712 120574.1616 132308.862 90975.60917 123714.7124 147062.0631 137393.6344 137937.0312 79318.88428 68346.10891 39842.49119 56564.92918 61777.04149 53253.41706 70053.08752 46076.45049 47643.55523 92234.73854 85714.68605 61421.14635 95585.11016 92969.65581 73634.73322 68383.55083 50868.06866 87103.30059 70177.60326 66362.7908 57619.69027 57080.68184 69584.459 73466.67793 269.138552 229.5540272 242.9849783 285.402864 271.1284706 259.8867226 LPC(19:0)_feature3 86855.15879 132089.1259 136661.8694 109899.8912 172313.2082 114406.2146 159345.1675 193887.6786 112346.5373 102960.6455 102717.6232 87853.87702 125305.5751 143529.9073 125800.9989 147637.872 110684.4772 136076.0091 155237.4238 135533.4573 84442.02065 137049.5775 129358.2467 87340.30162 92714.91289 100534.3647 133274.1304 126151.558 117164.847 167011.0816 187672.1822 97902.98679 208849.2143 218653.8994 98079.71649 241521.2352 144931.3945 141829.8566 137067.2593 83859.5847 123877.3342 84968.84106 111304.4382 153225.9868 123141.053 151159.2994 119131.1818 124760.8623 182079.2004 188461.7708 120625.2353 98746.84787 104220.3996 99818.36246 134296.8751 131771.5678 89453.45644 177291.7272 119844.4747 121662.5332 123790.2501 127489.7956 134372.8364 382.0825377 365.0050235 354.349616 364.2282219 369.5084929 369.2122899 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 818181.0865 948572.6821 1247238.932 1113507.112 1084731.134 1542487.851 1209191.528 898007.9562 888524.7508 819069.1665 637858.8675 707906.5688 954932.4521 934501.0519 688319.7433 1480884.174 994012.0359 1332593.703 983668.2111 1218595.934 713661.8999 971096.8435 815816.936 706913.9367 874521.7839 685209.4219 631430.1149 1021201.105 826799.7439 1349978.826 722999.6079 594321.7186 1227840.874 1072089.879 726861.1071 952606.9081 1415106.314 1482486.506 1088716.263 726683.8901 793135.5138 600287.9515 531166.1763 793459.3077 763472.5717 1036359.981 705178.0934 739877.5835 1055826.118 1189583.735 936268.7243 883119.8201 1064420.344 922507.2621 876691.8939 920836.5723 904539.9333 899993.4172 884449.2275 875750.1676 906420.0715 903806.875 896660.6605 415.9525626 9182.594859 8845.242886 374.1804343 9165.911709 7841.33193 LPC(18:1)>LPC(18:1/0:0)_feature2 1420708.905 1279787.679 1260371.137 1064448.752 1059608.54 2000423.646 1376604.852 1318606.809 1018505.602 1025420.718 673914.966 549328.7782 1193915.446 1682404.079 699267.4009 1871869.405 791124.1825 1244708.947 1417104.665 1311208.973 786741.5432 839185.4538 974672.1787 752890.9342 902982.3529 851011.6736 1180488.356 887534.2037 767435.8555 1578539.023 1033158.684 802974.7462 1195029.461 1090598.291 968413.9397 1138326.567 1346197.826 1544434.388 1103595.986 781416.0944 893274.9335 556836.1588 840846.725 868909.5009 847182.6693 983169.1492 668171.1944 660753.7978 1369421.598 1312885.053 1013571.014 946765.1943 1087792.389 801127.3536 1050011.563 924909.8085 930464.1705 928693.789 1155168.018 1013344.857 880665.7255 1077539.684 934113.3392 406.435971 972.5329135 875.3307224 390.8659005 813.325378 821.3242007 LPC(18:0)>LPC(18:0/0:0)_feature2 19575587.09 23849683.5 19433120.21 19268974.04 15299858.06 24017870.7 23960209.11 23208665.75 22417905.76 20516213.88 21775497.08 21752746.97 24295737.79 31564395.82 24379951.67 30264903.39 19497729.41 31975554.81 31432966.57 26026578.01 14678124.97 19083754.52 20321025.38 17970507.38 15665063.05 15346244.7 21039105.17 24379803.82 22721498.23 35188871.06 21044689.1 18212424.96 27471475.47 26203978.06 19566796.51 31398282.45 27519309.15 32466716.77 24800955.71 15775763.16 31125220.66 18454747.61 21491814.65 30181737.06 22277140.77 38077227.47 23644938.33 27457419.38 40960474.59 40187410.3 15746074.6 18099828.83 16155706.9 16082679.79 22736469.83 22735737.94 22840387.24 22187537.55 22485272.91 23309329.09 23617689.04 22074719.83 22487740.69 1421.783939 1069.692576 2247.955734 2667.123463 1176.481754 3759.161924 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 256476.3 305251.1058 316089.4061 276891.7339 267446.8892 349227.7115 312213.2685 305917.7258 261215.9344 235697.8885 205892.9822 164117.9312 214668.9303 276874.3216 201712.9905 282090.7362 199476.7677 274005.3658 271971.3323 247222.0595 218082.5643 281264.7487 284644.1774 208089.9069 202612.322 159967.1848 211731.8827 238990.1065 194996.4981 296944.0697 255979.2184 236255.9314 297256.4894 342849.3705 220957.3785 337129.3 347126.3192 337567.6843 303898.899 217630.2282 233088.2472 157299.1704 200177.6547 287409.2335 219132.7598 297706.1741 217956.1712 224448.8771 333202.6698 341504.0132 276415.3512 265674.9266 267230.715 260642.1594 253420.488 253234.8052 247196.2919 245871.141 252167.703 253864.178 253080.0756 249233.7305 251113.9448 339.5528974 437.1830457 419.7007661 345.2512692 423.6889149 423.1562396 LPC(16:1)>LPC(16:1/0:0)_and_LPC(0:0/16:1)_feature1and2 57865.52152 51030.40807 85755.20102 60862.63201 51878.59264 125309.7971 79634.13825 64298.13426 51079.65725 40681.70508 44225.46355 40171.18447 76614.63584 76986.35712 33488.11446 92131.83636 45876.92853 65488.85433 60821.46531 36402.99886 35986.31402 55401.08968 49347.65981 34700.12719 55377.94688 35507.70478 40650.09398 46404.76296 40812.84957 53986.68319 50709.37237 40491.85889 49671.04367 68483.15118 25567.22629 65376.02917 65883.44234 68632.96059 75364.35134 37276.65154 56842.68031 29942.41244 40747.93495 44970.20358 32214.96427 50639.81692 38840.28465 47165.25059 57970.56448 56083.17635 52669.24996 59448.97236 42245.42838 60162.05045 47643.30236 51425.7921 44762.18757 50704.03304 41162.98472 50327.36042 39135.21944 45144.14527 56533.35954 244.4559265 1032.966582 1066.094008 280.8995897 1059.20166 1191.780925 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature1and2 10593207.14 11782236 13259647.06 12728280.15 12078137.58 16542386.26 13822808.87 12216620.69 11202133.73 10408087.03 7332037.878 6702375.332 9520868.072 12394460.36 7600231.554 12141551.06 8106638.844 11574124.47 12182903.66 9720373.583 8102367.419 10958161.11 11548421.46 9321515.09 8719863.484 7370156.675 9872964.936 10112254.89 8631941.929 12574537.84 10836824.88 9155174.108 12509046.66 13819358.81 9778610.212 14643330.01 13891697.35 15755266 11550604.89 8854105.866 11079322.25 6975568.676 7835407.695 8492394.044 8092549.728 11177968.9 7600449.683 8633979.538 13126631.88 11600905.87 8345460.622 8115419.197 8305695.974 8236844.906 10449793.24 10976928.96 10147166.91 10089621.2 10392741.38 10458879.64 10363221.87 10723667.73 10452863.75 3496.526882 1934.894688 4063.692912 3569.686956 2132.577319 4719.253184 LPC(15:0)>LPC(15:0/0:0)_and_LPC(0:0/15:0)_feature1and2 108685.324 118513.019 137826.7615 116310.6417 182889.8139 141230.1436 100558.6686 117866.1842 106022.3954 106274.8832 104468.0048 83301.43233 80159.40831 108829.3608 10788.56733 127440.0097 100061.8837 106286.1184 175572.9835 109983.6204 95676.73957 115454.118 120750.8921 116923.004 168107.1405 68362.5482 316710.4976 104572.159 114719.8634 111461.1886 115521.0662 101032.3308 109327.6445 114954.2054 101769.9366 116736.3173 112269.285 110199.9146 124327.5932 95784.16381 105908.1057 59703.17449 72022.11468 101280.4954 100530.3581 107424.7534 93416.06898 95154.43135 111515.9688 89563.81582 104641.0361 103724.6598 107470.6501 107111.0714 112344.9779 108378.011 106314.1785 91129.21867 111383.9377 108633.1159 106018.3354 103033.5959 111931.4098 136.238336 6261.680923 5181.456193 130.3389172 5048.440404 8426.790941 HexCer(d42:1)>HexCer(d18:1/24:0)_feature2 241888.9933 263952.9869 379935.8115 331731.7468 297241.2749 400094.7469 374924.9814 310596.2018 292798.6033 365241.4155 1056142.971 904636.2678 1110198.223 2029641.103 1027063.452 1671347.195 1282805.463 1382541.895 2053854.327 1334950.353 239378.2987 328427.6618 334655.4432 257294.9515 308701.3529 1261336.197 1103026.789 1011023.575 1120574.98 1969413.133 345341.743 252672.6934 392184.0557 410957.6477 295635.4447 327281.5599 304675.0985 458354.2 289281.8467 305805.5384 1476618.914 1098643.809 1198873.772 1388315.16 1344296.875 1811865.57 1174743.128 1157274.242 2049600.525 1657305.358 315652.8872 287008.3959 253526.652 274148.7339 750160.0362 746007.3494 741353.5478 786970.8241 825088.3666 739540.0207 854280.8815 654705.5162 766563.417 604.7162121 606.8936767 829.9711793 693.1208017 692.6814421 794.6948847 HexCer(d40:1)>HexCer(d18:1/22:0)_feature2 117230.5731 106845.7958 164049.6628 146330.5554 152879.4428 129526.0746 134446.2072 140780.6315 132658.1501 145838.3994 470676.2745 461137.908 467960.3849 764096.8443 409357.0291 494503.4537 479728.3967 475547.7104 673338.1539 308423.3593 109634.26 136482.029 136204.1778 117391.5829 132645.813 495299.8884 400618.9811 491655.3219 336443.3093 558486.3363 135320.5475 114497.9329 235383.2584 166956.4385 139882.552 150799.1302 143343.3182 229050.7112 128292.2769 138258.9637 569197.4305 349946.9634 409072.3347 600708.4725 586349.5838 717508.4751 364412.8629 433887.959 632218.7753 681276.2056 157160.7743 122471.7436 160062.756 116986.8383 408830.1741 161444.1028 353837.1078 365067.3757 339120.3175 342352.9698 321002.3106 296991.5259 324361.8692 717.4061134 714.6796141 950.0683476 506.7456541 531.0692847 978.4906294 HexCer(d34:1)>HexCer(d18:1/16:0)_feature1 63318.82324 76210.76088 84117.77152 62084.7834 72459.94375 81123.89037 100532.9987 98986.79773 91265.86716 86233.87868 116069.5584 84857.21296 88724.10393 142059.0405 137466.8514 112080.6068 101604.1631 136094.7663 167124.4659 84156.09504 62513.46786 77366.19235 114244.9642 69251.78621 74117.20749 112028.0842 126267.664 99941.70554 120645.6513 154309.3148 81590.29834 95078.38937 111183.4583 97545.64291 73444.91315 123457.753 115250.8339 115488.1688 92999.94375 77066.43235 140636.7734 91921.18535 125970.6875 102823.6367 143107.8753 176195.1115 109158.2722 130551.9159 182061.7969 170168.5434 93653.09592 91559.57589 62140.55464 76971.49467 120640.1262 106188.7041 100273.8403 107620.4233 110093.5164 100894.5851 108287.5198 107456.5291 116879.6307 368.8155212 351.2115643 343.9534371 355.1866325 349.5706272 347.9981787 glycocholate_feature1 627059.2807 118833.8404 610725.8974 57603.64717 100308.7048 146014.3082 459689.9992 154050.0694 116865.712 34774.89638 319658.4312 753813.5969 544733.6089 269596.8084 201970.6029 782111.6196 460332.5284 495164.3067 169717.2877 610089.9286 9533.935912 12793.31756 29154.97864 76338.83248 197481.9548 142169.1286 260894.4996 679733.7816 348192.5509 690976.3092 23026.36728 295839.6718 56180.37452 58317.60505 49592.77757 54267.05044 426872.0987 457478.138 50978.46484 97091.13203 108818.0073 180663.7315 401898.8138 372442.059 530357.8918 22383.81462 383586.5885 347219.697 224613.244 439205.4975 24266.6912 23310.15019 64571.54782 60527.37858 262713.1759 255971.4721 261077.4295 253073.7339 262074.7715 275039.2487 240856.7907 268869.4636 257770.6164 474.5394576 70805.30888 76018.3082 496.4758134 39765.78546 32984.89269 erucamide_feature1 66662.33122 94258.38653 69515.4865 71054.10713 67497.53895 46036.88598 95914.38886 86393.50192 98880.46606 41872.7538 202815.7179 109852.7919 88145.00791 86754.69118 119897.7767 69099.70011 62571.85921 99292.16803 104853.8654 109555.4137 70968.46836 106126.9165 87614.90392 63081.89765 75153.52378 77595.99374 77103.55059 69239.09196 83342.42248 82542.94127 98437.01546 75571.96464 93826.12654 93960.97783 67976.74132 66508.74458 81434.67207 72221.94568 72735.61254 75676.83962 92242.34267 77421.964 60698.07397 80144.57914 90216.71107 30846.44178 83409.20574 70297.59013 78536.96488 92374.13243 91565.87799 100374.232 1545159.644 1550461.622 234549.0815 236874.1086 236850.463 235663.0876 230598.7758 216693.8259 235351.0851 222602.7556 252549.0534 86916.82615 276339.1435 236202.3125 85381.69913 269128.4542 287125.3418 EA(22:0)_feature1 227247.0368 122323.6792 353758.1192 154150.9225 460967.657 379174.6731 466978.3547 189738.6836 277431.6334 284118.6489 481458.8649 237844.1652 109712.8734 207488.6196 436439.9258 83251.76545 458849.7019 509815.5106 398492.9868 258314.3418 311017.2355 125820.0416 570001.2344 480312.9519 234821.0654 504765.4862 939362.5766 194697.7664 381123.9004 316153.6085 449702.1091 437588.0433 226337.366 279088.6199 382825.9885 242153.9964 575228.5172 326607.2743 346248.8055 391876.7726 376032.7503 261235.9054 441322.1997 277523.3361 613466.2359 591537.706 379511.594 282891.8214 293140.0536 346003.4199 30609.94438 32511.54477 6400.028028 64012.5209 332615.862 356958.532 336342.1248 329923.963 304924.2045 330222.7289 335769.2403 331268.9315 354382.8136 50996.65893 14131.5682 11421.64382 44832.2138 11841.91395 12029.00577 EA(18:0)_feature1 59309123.04 37566786.26 88647785.49 66058289.88 103897758 85828683.07 98720254.01 45045610 68192261.83 66758785.92 97282517.81 53360625.21 24119358.71 47636710.56 100893985.2 23985146.6 117770926.3 111173762 102193130.8 54118517.14 84848854.74 33992237.38 145302074.3 98398754.86 56422035.53 106584475.9 186905183.2 57397578.06 107265094.8 72993053.65 97766231.49 92830733.04 64083172.57 68956152.35 97416959.98 66533239.94 110149477.6 77411167.43 81237536.61 87835006.34 98637055.69 68777291.76 106984328.2 65040177.8 105421959.4 118255163.1 70628733.25 72877073.74 74538709.07 76076918.81 143044.5249 88141.305 74519.17383 86637.9129 80423551.98 80188788.51 81571003.54 84977393.9 80136812.97 80177679.4 79845253.1 82806464.3 80640078.86 153971.3254 102226.9961 52312.32626 208885.1253 64677.25604 50916.8307 EA(17:0)_feature1 868283.0868 636415.586 1544270.928 1254718.783 1991636.177 1899692.247 2300199.963 725669.5431 1180767.547 938956.4252 1617334.184 924267.5548 331677.0017 779950.5706 1660013.395 410123.0239 2162552.026 2300220.179 1752448.146 890901.2819 1694395.758 618380.9689 2812825.568 1904969.649 876933.0744 2188746.986 3694366.374 844394.1697 2453707.438 1393722.397 1965349.648 1855679.436 1170932.396 1047862.771 1543697.22 1126643.393 2510832.146 1080212.902 1443530.847 1820911.371 1876065.998 1201589.437 1896969.752 1171866.978 1797010.118 2118289.561 1190908.102 1654794.482 1604805.987 1340521.75 749.7134316 1198.293466 877.4505839 637.4342829 1428580.616 1452585.703 1516058.33 1276104.83 1519699.813 1530570.74 1560283.443 1343114.01 1411963.77 500.8560071 507.8964079 682.2117424 644.631513 517.9415038 639.0563597 EA(15:0)_feature1 246016.474 140606.1254 399084.5025 339872.7276 445356.0101 350742.2399 373816.0205 185815.1528 300638.0859 302464.131 487724.6223 213861.5442 101071.7649 201324.0191 512666.9145 107876.5556 605330.0858 524640.3951 550164.9383 246119.5982 435269.11 179922.4061 814642.0089 422629.0768 216650.2006 567282.2862 1101266.994 277895.5079 609996.8585 358533.325 484241.1155 437408.5338 330002.0688 289576.5363 433338.045 255672.0696 478108.785 300425.6164 352248.5809 463176.628 550919.5367 336799.1296 532644.5688 309829.0454 482238.3007 562825.84 325249.3321 421016.9644 405853.9581 319052.1032 481.9351373 721.1004521 469.3654839 1105.908288 383864.6828 380839.3847 373352.2404 378354.9596 376764.3946 379702.4589 376139.5775 383230.7576 380191.5566 860.5598663 819.6204296 754.5796753 922.203687 609.9589767 1019.033447 DG(40:7)>DG(18:1_22:6_0:0)_M+NH3_feature3 215099.232 172077.5985 165469.1302 128590.3874 101576.7543 137900.6101 456862.6893 476833.4401 445074.2669 204255.201 96610.30597 70142.70155 135379.4716 188956.1927 95240.52118 141928.3469 80359.16795 166561.5665 174467.8019 93785.69458 206749.5314 192047.4334 295181.818 273761.9924 178530.7122 60714.13838 133862.1037 101786.7208 127127.4413 242499.0514 300467.617 245405.6661 247572.1559 290210.6759 171519.7059 319980.7675 414681.746 507370.7645 197699.4439 134083.5902 154787.6811 68540.08799 85970.31852 116559.4243 102420.0737 146998.9214 94204.44828 88075.35013 194016.6 172159.8388 195351.6193 202073.7372 179079.3596 171821.6283 183726.1205 181899.4378 173339.9282 190404.1101 182363.9141 181304.3949 181696.3197 175796.6727 186445.8074 302.8411684 273.6970257 268.8529056 288.9422155 289.7790565 269.3627566 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 280730.5255 197573.9391 260323.7412 125777.2292 149721.6561 252337.5595 461014.3342 411990.2583 181048.7377 185127.5222 526761.0879 436992.1784 432801.9571 973328.4178 270632.4786 377199.7592 252058.9823 686068.3613 1236610.911 368922.4149 155063.2955 157075.0614 333087.3118 140708.9849 117024.4327 272685.1235 511273.2904 361726.9906 380675.4367 655795.6425 239999.9948 216044.5613 326039.5745 262339.5796 196584.141 370587.8281 350566.5073 577385.9099 189261.1761 168257.1317 604145.4666 354283.5888 731765.4388 923605.9208 555570.1071 680884.3799 565120.5675 640142.2376 989085.6945 992571.8015 345702.1636 322468.0851 201888.5642 180301.8974 444300.7359 443436.8509 460080.4556 412195.7714 451510.6903 448326.395 473822.4697 428511.8778 437818.1637 228.2870206 240.7263554 268.7898389 216.3256614 240.9335833 245.0588096 DG(40:4)>DG(18:0_22:4_0:0)_M+NH3_feature3 49843.88498 52864.78446 63514.75577 50636.10768 52282.45278 52868.48103 127159.0948 101829.9044 66272.81779 53983.86587 35397.4984 29806.45703 36812.25224 47129.04533 31611.16939 46210.12425 32826.17998 50935.30877 57438.13938 40729.50384 29287.34934 38354.26012 49343.15226 44296.52938 40612.06462 28243.75375 53516.199 44848.24756 35606.32342 58807.05417 54190.53806 49176.16175 72760.9507 74534.07519 54024.34707 67954.74242 66946.6695 82058.83335 49751.53661 34830.00667 53774.22733 28887.28928 39252.62425 42947.23512 39936.9321 45851.34213 39619.35675 43219.07425 68838.92758 55254.22896 55079.86104 54804.19354 58366.43329 50467.19273 52432.71905 55347.33878 49968.42736 49973.96364 56355.40658 53423.25179 51426.20632 56220.33542 50089.24248 445.2406815 584.8854609 690.8032139 433.3835714 560.7839556 587.3328885 DG(38:6)>DG(18:2_20:4_0:0)_M+NH3_feature1 375741.994 309821.2832 269550.5358 231306.8888 159548.4684 217971.8308 638504.7611 612526.96 370254.5895 290795.7688 176801.6422 172847.5178 269015.8879 262768.0829 171318.8643 181245.2038 134659.8152 220128.3964 220529.575 153450.4469 325280.3027 230835.5379 272683.8422 315115.1751 242200.2801 101134.4075 236276.3024 145168.4087 198061.4179 322623.0011 410253.7256 311519.2827 287872.7473 341480.8298 240251.4525 310262.9502 386351.3288 439909.2577 202740.3702 177775.1836 291960.6684 146279.4988 189089.1395 168012.9262 203075.4364 215309.6914 201682.3893 178106.5237 328886.3546 282191.2398 453920.7569 507877.1637 307295.6097 290449.7694 273266.5805 276935.622 288630.324 246226.6618 279666.3652 288275.9296 267179.1822 279480.5564 271648.4048 284.4177874 283.3151417 311.2666063 323.7218181 296.5160863 299.7156891 DG(38:5)>DG(18:1_20:4_0:0)_M+NH3_feature2 1809814.366 1221760.91 1246361.267 1057346.368 868305.0989 1186375.08 2603642.143 3085227.606 2230608.443 1698790.53 984065.6794 748948.2982 1083938.846 1392654.009 869111.5769 965182.5665 711860.4095 1151439.742 1469010.748 869947.233 1558452.017 1129974.364 1427466.073 1376605.822 1187091.755 643442.5368 1000763.801 784214.2993 914303.5864 1270515.7 1900553.83 1437738.772 1468397.99 1644125.962 1333555.713 1627567.404 2020809.143 2394469.953 1292497.6 1094236.564 1175909.46 755505.9388 906222.2318 1086486.715 905592.3188 1119064.505 899165.1384 887866.2389 1535861.96 1278812.542 2383910.69 2262785.031 1479852.988 1579284.036 1288485.364 1268962.07 1279767.754 1314002.362 1315586.193 1313295.185 1266093.157 1287853.766 1279663.583 2900.324545 3254.645141 3244.847679 3433.963609 2857.711469 3540.236725 DG(38:4)>DG(18:0_20:4_0:0)_M+NH3_feature6 4507848.889 4457645.176 4663587.99 3364634.397 3862755.348 4136777.395 8315363.806 7133554.266 3707336.338 4111824.419 5213607.747 4391621.455 4764722.069 6216770.737 3982476.819 4758598.562 3533527.907 6048284.863 7446484.951 4755766.365 3085394.72 3870681.269 4373522.011 3216143.077 3513852.038 3240278.557 4888742.583 4310988.608 4603346.009 6112137.053 3661977.067 4393999.336 5123267.94 5098288.643 3815096.126 5174431.187 5368622.253 5611195.702 4114282.358 3224822.71 5796583.241 3911513.371 5730469.19 6816229.957 4754134.668 6848037.356 4733808.872 5607820.526 8408073.92 7612475.812 5673384.306 5740483.038 3898834.325 4159645.608 4818467.417 4418359.279 5117229.835 4829229.621 4747094.461 4933742.798 4651506.995 4769696.622 4752472.83 1394.296862 1379.960004 1379.361709 1394.509401 1416.295747 1428.873336 DG(38:3)>DG(18:2_20:1_0:0)_M+NH3_feature2 86161.9702 51942.79544 54299.12771 51367.49354 46351.71142 50999.32805 123409.2563 184434.9631 174240.0954 97896.0879 21179.33635 15083.26222 44814.5572 37908.31268 31317.0678 51348.36014 31681.9878 37759.66633 37565.83118 42837.34485 65739.00358 63830.71717 66033.17423 51008.29099 67877.10422 19775.33108 30153.96197 29997.4612 35243.9489 52926.76574 109031.0785 102870.3935 80275.20073 118075.9765 51023.8809 73287.32184 178573.8357 197682.0972 61525.02279 56715.68501 32986.00744 35127.12147 22953.00278 31994.01149 32489.06538 42814.1757 26278.53639 28106.45271 56195.10182 36452.33403 69512.38082 79468.8315 86409.52877 86804.684 62183.22096 55652.51866 57787.92091 57637.99024 55333.36289 55694.69341 67180.74357 55405.23293 57434.23957 247.7844848 585.1290391 286.2886585 242.0899455 357.4962045 319.7085876 DG(36:5)>DG(18:2_18:3_0:0)_M+NH3_feature1 329797.4443 196251.3594 166403.8265 127229.1165 125896.2637 183761.5773 431526.845 647698.5666 601757.0994 324295.9838 92730.88646 113565.1849 188668.7502 195450.336 116545.8754 136237.3758 104355.2794 130625.0942 139050.7607 135182.0201 265684.6792 380493.8907 226826.4338 329576.8947 233848.2723 63804.07612 122830.1275 115263.484 153434.2663 212309.221 326543.2853 304625.3616 282129.2066 316254.859 237226.525 196780.7656 333833.1809 369385.0571 195927.104 153424.9675 161812.6252 179145.7149 98996.81611 129044.7658 107393.0526 148202.0329 78905.83177 88682.99747 197603.0208 191994.6604 591217.8202 539224.5601 355902.9354 347737.5298 219418.456 211830.5665 211302.8547 193402.8124 232067.5386 254306.5894 192337.209 228244.1621 200640.3098 580.0614187 549.5013657 534.9853924 520.5343889 499.5085818 496.8994504 DG(36:4)>DG18:2_18:2_0:0)_feature1 2045822.628 1746815.951 1266820.742 1297286.579 982725.5336 1046184.357 3628868.926 4095536.34 3457000.02 1822452.78 605237.0742 634658.5501 990775.0152 692422.495 758965.6294 711386.1297 592080.3989 667593.1813 852808.3622 778072.9291 1780027.424 1747248.51 1756508.784 2003173.753 1877787.617 394773.0948 733982.2491 608939.2805 852410.1235 1240676.896 2225190.16 2305602.819 1704026.042 2126728.621 1371860.433 1705071.755 2771736.697 2943443.776 1424460.688 1321912.09 995472.9502 871869.8808 467009.7431 595636.6933 805180.7764 1008453.178 603841.8176 676840.354 1369168.561 1239966.056 2492372.895 2294396.416 1865436.94 1735004.845 1416700.716 1456345.009 1452491.168 1446078.707 1433018.941 1437730.058 1382410.96 1573156.44 1367211.962 753.0789452 760.8631066 728.9786908 813.9865289 778.8580527 768.6643794 DG(36:4)>DG(16:0_20:4_0:0)_feature2 3667716.321 2654571.591 3042392.45 2039049.968 2198244.086 3277701.869 3983912.574 4598244.076 2736617.906 2921520.545 2364575.165 2081290.567 2596145.54 3578811.336 1789929.031 2219005.846 1702328.021 3002597.916 3621602.068 2232279.914 2714910.015 2276186.022 3048117.645 2416061.667 2001682.445 1502827.656 2316218.496 1845886.559 2006608.8 2318902.649 3394534.957 2840575.034 3034575.106 3092839.554 2285938.703 3498106.235 3729629.138 3885799.167 2387433.451 2479060.23 2731962.731 1926870.443 2997924.666 3271781.039 2317174.423 3006749.912 2472726.009 2649087.462 3459961.288 3320859.398 4227885.754 4817014.048 2794537.04 2895305.609 2751968.36 2685833.276 2759820.039 2730696.175 2781466.596 2703036.426 2744377.624 2716392.823 2741950.456 1120.499821 1067.294494 1172.986329 1130.971108 1171.456417 1151.231016 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 1854519.337 1551458.887 1339099.473 1341911.841 978361.0983 1097116.917 4255512.054 4669319.949 3909132.837 2208533.817 610897.3053 526561.2291 1106178.937 1152863.621 774899.0044 1112602.238 770759.6901 883030.0672 990484.4478 1026287.347 1596479.355 1545169.544 1522104.924 1845604.478 1801794.447 381752.7467 791899.2231 702050.4547 805039.2382 1514369.216 2508441.465 2260366.928 1987786.29 2672431.206 1724531.926 1798973.815 3340074.972 4239943.461 1464649.055 1182949.759 1208291.51 957273.9793 623705.0169 999444.7214 765053.0511 1333195.538 595220.8337 731279.2435 1805321.815 1445270.395 2263490.703 2271400.212 1716128.574 1589576.507 1506901.423 1465613.298 1521478.672 1506525.015 1491662.014 1497792.275 1476842.034 1495462.146 1509743.287 258.8411164 243.5528745 248.5544751 267.3867587 244.0649585 318.3110971 DG(36:2)>DG(18:1_18:1_0:0)_M+NH3_feature3 1132766.247 894574.814 863109.785 870894.8233 768750.8171 816149.2277 2124083.734 2406852.693 2137521.555 1394639.752 535697.1109 834838.1711 894167.5178 853878.4702 662260.4851 973625.7489 670220.0688 628755.9588 1346766.051 904280.067 988900.6174 924138.6391 691560.495 1056418.244 1078209.231 708071.3958 442240.2203 542164.1778 540651.4208 766725.502 1241461.531 1210569.014 1178104.582 1454152.844 1209079.29 917904.9003 1658994.195 2388603.853 862552.04 853751.6967 758197.6138 839328.3866 1045335.757 785488.7843 557062.9061 917166.8245 493428.9788 942438.7008 1051714.14 860920.9606 1279778.543 1234864.686 1031995.601 1096398.783 1045369.007 864822.2265 1040282.428 1002879.361 979683.673 967243.5392 940985.1236 1002224.478 998640.1684 948.3265411 1003.447147 943.0018745 924.2498863 1075.281472 946.2750763 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature4 348990.0791 560530.9421 698599.6241 280740.6565 497491.4112 744113.7064 1053332.03 879390.3751 492793.082 382797.6656 603749.5004 531187.7391 889772.235 854369.0458 586726.2787 984185.2072 599752.3923 888992.1753 950501.5247 784109.3277 413553.3417 584581.0883 611568.2594 341562.5357 556096.256 463726.443 634033.8013 630057.9028 648619.107 1035160.885 508028.8908 435406.009 601719.9134 640791.5726 239359.458 562592.0161 732819.4198 565077.8606 320228.3933 375970.0801 839712.3275 511037.1286 708752.7172 791388.211 621893.8342 871040.9972 639087.3611 627039.9192 1184688.147 949367.6828 765054.2763 763057.6747 551700.2049 589140.4153 647764.9933 661129.5683 669306.1419 664609.1653 674842.0861 622413.2554 683261.8021 644113.0497 664585.0829 234.5763392 246.170428 314.8470999 344.7853414 312.4863775 305.4420986 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature2 95909.25833 99525.08281 120466.05 99025.32732 102769.134 127787.0651 188555.5995 184080.7028 190646.7461 155690.8535 114701.2916 104990.151 157088.1289 157033.4868 112752.6731 213194.2922 116172.8401 157693.8392 176855.6039 167777.6005 86873.87535 111390.6072 113165.9408 97302.22029 145096.0529 77916.35512 119438.6188 108060.6755 120088.1976 178520.2767 141306.1092 134557.0613 147170.7304 150789.0894 120411.191 127802.608 172226.8686 220384.9003 106836.9131 90371.36154 172656.5288 148989.4904 143222.5298 155507.055 112306.3675 167328.7674 103421.1753 126703.5494 211818.7093 172854.6365 122049.248 141633.1084 107564.424 110055.7444 130751.3183 126218.9384 134527.7031 126935.7596 127406.8314 134535.265 122092.3663 129376.599 133141.0086 237.7546695 309.2270449 268.7075936 262.6146707 249.2403545 257.8453883 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature1 48436.9825 34144.98913 32359.79212 41766.49651 51320.90196 50776.96919 48083.52505 108083.0937 85011.66992 96523.73342 34615.3446 33414.30172 48949.8143 47039.02167 45518.89161 60691.84929 38629.98329 50797.38868 41287.89253 54551.18502 67510.01809 58122.43293 26533.58285 67385.92934 86421.68723 20925.85061 30225.03492 28804.22527 33725.65603 29957.78391 56405.55437 52817.21924 44593.07209 55934.39962 86888.31507 33577.29446 50521.10867 111185.2065 38079.22333 35570.25402 38015.79704 41178.59371 34349.48659 44685.26832 33899.40554 40167.29634 32018.68155 38503.30684 49523.65754 34040.3869 69327.79201 73321.14631 46659.17547 60808.32725 44492.71003 37201.33973 51590.92671 48354.65568 51311.49796 47508.25373 39167.89289 42386.68891 47184.799 242.2729432 237.6285916 238.3923973 236.3227572 237.5960754 242.02133 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature4 6190285.3 6408396.189 6321740.314 6242773.979 5290082.914 6658136.932 10768142.39 13364783.43 12006652.82 12340526.21 4086232.43 4188418.801 6529400.154 5983034.645 4917232.722 5920236.49 4466664.61 5270798.525 6006344.605 6237967.667 7056500.973 7877469.314 6594518.02 7587265.021 8215687.734 3077615.964 4516599.154 4499689.801 4912585.828 6952255.39 9270240.844 8200547.062 8746992.71 9780193.344 9816435.928 7819031.837 9982327.028 13867269.41 6691185.967 6164251.416 6612061.943 4879783.073 4821221.533 6224065.524 4595414.449 6471541.066 4251502.625 5271299.529 8362316.917 6785422.5 11407761.9 11152831.98 7529318.927 6571351.561 7105114.061 6583944.692 7420706.736 6972991.959 7384886.847 7214931.372 6695072.166 7041696.084 7059973.157 1514.150769 1513.027467 1429.688213 1638.221111 1533.733027 1522.460625 DG(34:1)>DG(16:0_18:1_0:0)_M+NH3_feature2 1987647.375 2001342.699 2161845.464 2284359.112 2295787.989 2373543.584 3514443.618 4912786.229 4777212.145 4787416.31 1781916.444 1591447.003 2644453.538 2503012.672 2132540.842 3164893.727 2047729.6 2323778.183 2474013.183 3016207.843 2803546.776 2898729.484 1724261.277 2824630.775 3751696.27 1111128.63 1845050.273 1654577.375 1895232.461 2485871.913 3050419.829 2704923.291 3158096.059 3846639.929 4071578.769 2418078.596 3508355.962 5762679.096 2183302.636 2167551.498 2533668.575 2060772.262 1717253.231 2716693.792 1745063.595 2764691.645 1577969.456 1877568.765 3349103.312 2544473.719 3396509.178 3428981.709 2351394.404 2420335.552 2676932.915 2355756.599 2763811.484 2566763.394 2580803.562 2643663.349 2446886.602 2533104.024 2685126.874 1322.081093 1954.481135 1381.34234 1326.697853 1435.919549 1465.417617 DG(34:0)>DG(16:0_18:0_0:0)_M+NH3_feature2 858084.9259 843874.2114 912117.6614 765264.8142 849499.8668 921839.2991 876538.1887 815777.8771 885178.1627 964371.9121 816598.8544 928361.4005 917506.403 780673.9136 814384.5822 1034893.429 924700.5041 932224.0347 753492.5674 827263.8688 812317.022 862566.8313 831099.0079 772072.2552 948916.8079 793466.1365 832773.1 758623.2668 826743.7128 787589.1561 816986.5375 832028.0065 710257.653 796130.1464 758596.4973 813975.8493 819729.4895 767093.1729 869292.8849 862013.9484 836631.5226 765007.5851 870305.5323 776274.72 761057.3099 791789.1673 934208.5532 844749.4084 817875.4349 748421.5794 818617.2241 914754.2651 834657.2969 845634.45 818301.249 778065.1375 763899.544 761698.5939 711744.1055 679913.3764 785113.5901 797357.8185 827607.7026 18519.56175 20436.39577 19974.19079 21158.18687 23422.11614 23005.96679 DG(32:1)>DG(16:0_16:1_0:0)_M+NH3_feature1 59107.41437 36125.06679 62287.09153 54650.34454 59625.41352 93991.03546 99973.86473 155354.4209 146326.0329 166977.3926 37089.55207 44499.95921 124810.737 88848.82846 43936.81112 129365.8823 62655.69152 99213.44441 76139.52779 88323.64167 59852.83291 75756.25066 35808.08704 71272.3467 101426.5864 20160.89619 45662.87533 43624.42328 44532.87683 76917.21887 85991.04986 44380.90168 82000.40164 107506.6689 118710.1999 57783.90721 73182.83464 143657.4913 44559.66246 49448.81633 65428.05227 63363.27283 46678.6129 62470.08586 32808.37685 70551.21532 36162.1901 42394.60106 77916.62499 63300.66035 95920.51473 88610.0233 73056.76836 81349.57402 66344.83579 67798.07356 68434.28492 73540.41163 69492.98714 68051.85526 70354.68646 62264.90829 70966.28477 298.843605 287.9734312 336.2295729 320.832843 321.2170879 344.2676569 DG(32:0)>DG(16:0_16:0_0:0)_feature2 431326.1357 413766.5405 446655.4387 453465.055 488384.6582 487052.3226 494563.5661 570789.5766 589813.2095 616327.2782 460933.5896 441664.4366 460844.9793 431302.7767 478740.7444 530077.3648 435682.9571 417852.7515 431088.2516 473463.5377 558883.4457 556939.9256 420910.046 514470.8794 689169.974 388518.9771 393369.1531 411890.0922 440949.669 395573.5309 529969.7011 521100.0861 472887.3621 570737.7735 553892.6181 446725.3898 466113.4916 643378.1024 465453.5674 450560.1849 428640.6044 561200.6586 442461.9473 478075.7798 414616.5693 456685.9888 431098.0567 399501.9935 443483.3423 396774.9105 524426.4586 506708.4131 469189.1561 527392.8565 442310.6011 445954.0119 466818.5458 447832.9069 501948.0611 461889.3337 422860.6392 423530.0237 479842.2824 5797.816746 4702.402273 5291.496955 3987.962749 5596.258104 5174.726029 Coenzyme Q9_feature1 2137525.628 2534435.26 2992225.469 4475432.518 4238207.882 4908498.382 4266054.408 3270911.503 5653707.461 4621040.91 5524786.162 4601039.261 5427688.702 7586176.43 6614206.773 6383148.036 3764552.305 4136226.122 6416507.49 5067909.369 2830201.775 3211669.228 4403754.637 3682306.89 2919908.732 5331497.582 7374078.294 7281624.086 5241992.025 8508396.609 4015164.938 3703463.879 6090339.698 6713270.124 3617490.457 5350837.484 3987695.872 6297561.522 4548584.29 3505584.937 7662565.207 4594285.47 7254714.078 8098218.317 9960873.273 9600153.167 6472324.863 7990260.557 12880977.32 9109510.859 2763906.463 2904878.164 2007328.036 2187127.555 5282031.911 5159897.471 5206104.711 5177026.292 5235694.289 5152115.021 4972900.069 5296944.722 5318067.827 1085.973849 1070.927338 1202.603898 1028.672196 1093.442488 1127.758983 coenzyme(Q8)_feature1 62730.64457 100095.1865 121076.9742 171965.7346 167988.3357 160920.8948 138269.4463 99803.81515 191642.6349 156325.284 354852.2532 359048.1752 407772.4527 470261.6245 466735.5728 477629.8535 289080.6815 301935.154 380649.5491 409258.615 119132.9314 145332.1262 169818.099 136567.8973 111078.4087 324748.8786 461760.6342 545885.8955 356810.1297 573117.6865 130425.2072 130364.3975 226834.9459 234481.0242 134139.481 183773.5357 138935.4364 244762.0323 176974.3103 123158.2467 478934.1217 337565.448 455567.3979 592246.6659 671465.725 638929.6846 406298.0036 539299.3803 766856.4822 551266.6756 267708.9534 259015.4637 188294.7072 171092.7894 290299.713 289512.9023 295907.9624 281725.4126 281264.0417 278886.0028 287409.2961 302126.3148 286012.9465 652.733462 654.1684647 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43532.26651 63775.05581 55111.49769 91984.85166 96124.06311 65782.48859 77011.06664 88219.51243 32032.56435 135111.7001 86953.35895 159000.9349 94342.40372 46328.18151 72359.19403 66855.53478 58519.29346 126505.9953 75408.65482 92482.72054 62874.27066 190854.4167 146104.3112 106167.8219 61206.52127 66343.82544 21834.1806 22872.35845 52376.32634 76958.29576 73115.97228 70443.43912 62004.44308 67149.2714 64851.50425 59473.90365 72059.82698 200.5760402 751.6728025 786.801063 192.0074807 686.3173723 755.3582909 Car(14:2)_feature1 48407.37945 77955.98714 97117.26558 48591.53644 22076.80047 21645.17009 122874.6512 85199.66356 40491.98844 46408.75633 97032.59947 118521.6725 90686.31226 47082.32218 118935.7461 76819.87872 30537.78396 83386.94482 96171.70865 73543.73651 43791.17541 30482.8077 145204.464 56211.2509 39647.61912 128608.2172 171611.1913 110426.329 123349.5421 143699.1375 114313.8395 90816.49808 44331.5167 79718.30978 40125.14283 195741.0708 117726.6206 81086.22498 59734.9683 34985.27648 130561.741 164312.9016 65309.43388 209694.6531 234018.6816 132203.2845 85222.3091 118535.9515 233199.8481 133273.6168 101381.4908 44853.19024 23518.02456 32560.74094 99400.78327 91498.70632 103993.222 40885.88632 90845.81241 93001.3174 99648.45996 92407.88073 85288.61277 177.2836018 783.3138868 743.8928546 352.5036279 693.5306067 691.7590901 Car(14:1)_feature1 137710.6766 205737.391 221222.7211 136510.3049 80925.89699 61068.34723 181625.3045 208611.4102 80292.91344 103495.82 340016.5655 313330.7092 264700.6758 186575.0877 231804.5516 188264.5968 95327.24911 298244.8378 282428.5347 217979.2348 113076.6157 65133.96971 383136.6003 205549.9447 108829.0731 503386.972 369601.8265 247789.2003 398585.697 426918.947 262787.0996 407084.0778 217744.3731 198805.6057 123241.7077 493788.8615 415294.9777 642423.1118 566529.1223 240286.2021 372997.6572 650573.1783 240458.9149 573936.2728 406055.9223 579859.6889 303824.0377 989137.2239 678706.9732 346769.0269 288966.9357 256359.6058 79693.62091 79523.8585 259425.0193 271188.5871 273864.7006 265382.0821 267944.6285 267126.8287 266902.2963 241595.0668 286219.2598 959.2419662 1338.223193 413.4569294 1675.999307 1969.179233 2110.505378 Car(14:0)_feature1 190675.2067 378612.1215 446080.202 264866.2881 139964.969 130651.7055 396865.3798 632822.1344 204103.1791 239372.7203 501446.2941 724708.635 541776.7112 356340.0433 367939.0634 289765.9026 193880.5808 378083.8186 403104.2017 418742.8174 332620.673 151109.4319 937295.7199 491275.8164 229842.2636 573139.3956 698486.3324 446569.3438 629218.7937 735309.3365 728140.7407 676096.7351 467867.4404 468209.4942 222948.1763 1258627.039 726661.2718 1476214.5 831782.2361 447784.0394 762172.9358 643388.4406 328916.5188 842397.5245 683988.9605 629295.7717 503434.2277 1438657.436 1515665.316 453520.7627 364675.1471 532780.0231 134532.4626 150480.6389 427029.5718 561889.7294 416444.7879 555795.0481 676743.4455 431706.3181 423224.2435 426506.1242 567611.8562 435.9262461 220.9904988 225.8035252 643.1152381 483.4237739 576.6557428 Car(13:1)_feature1 15467.8386 12785.66182 11981.6402 10948.68515 12175.94091 7585.667342 14102.47901 14783.49608 10415.8999 12342.63142 44921.00767 34888.60714 27877.46524 30629.08419 37850.65089 42700.66543 34770.97217 40241.8888 40975.17956 49457.57622 11159.93633 15440.84472 20872.47124 12234.08285 13236.58961 54287.52403 45944.54306 56979.03346 41192.18484 57222.64204 21400.37356 17851.77256 21177.6164 22356.08195 19790.21162 28441.86212 21804.61166 61208.26637 15021.49876 19619.8727 37398.43739 31510.23687 25668.94757 72582.78679 44513.94998 54536.39413 33059.86356 72878.65839 75604.62193 58747.32666 26644.99343 17821.12405 14117.04938 11370.06394 33701.75507 31848.48785 31056.56825 29779.58124 29407.284 28831.73981 27536.62173 28282.81244 37730.8838 650.2269872 794.8877551 752.8274089 508.5504533 601.5024362 612.3863295 Car(13:0)_feature1 28041.91493 41862.14864 33173.85973 39749.43127 23405.75338 20494.0842 46847.50339 45858.34898 23282.56891 29663.59365 77312.41049 59545.25065 45045.87951 53721.98776 65653.73307 54983.30162 43437.12781 70601.0427 66134.41575 66671.09166 31630.08833 37790.01398 61452.01524 33501.21916 29456.16904 87728.26284 87752.40427 72210.52811 73531.31841 77605.93038 51341.27874 47194.22249 41969.47916 59368.62364 27494.55554 78584.59118 60734.13201 124332.0677 56247.8871 37071.45275 69427.09174 77679.31385 94021.72068 124637.5485 94190.1063 84395.73855 57375.90788 162693.9636 243115.726 93642.29498 67921.12433 87532.22931 29062.30321 36726.08586 56877.36015 71072.3284 55014.67251 63092.92799 57901.7026 58673.619 61492.74637 58917.13282 64604.93226 707.8696595 1047.66975 411.6179691 1249.231564 568.4510818 1569.666037 Car(12:1)_feature1 31079.90572 63813.87155 67823.99411 49939.68717 29662.50063 29019.81667 68155.62191 63367.41729 28313.70926 35218.16071 99237.62691 87978.97992 85885.38417 59496.52267 91916.16512 84582.48057 58116.79937 109390.8388 109118.9733 105125.9464 38037.10317 29608.18759 101078.8965 47522.06769 42932.43858 123645.5151 125685.6422 125174.9443 133283.7677 178455.5966 78281.50841 62964.50965 68527.3262 77146.44586 38635.70849 121875.2466 83920.29666 133243.7671 93422.54303 47470.13946 139664.4577 129191.8319 81049.56344 189120.749 146786.3319 139912.9685 91395.50671 214213.8734 231936.0746 125182.8582 79906.09868 71970.50028 21019.26813 16260.1946 87720.90104 82566.40421 87839.90101 87203.43662 85302.9812 86686.42107 86814.9645 88009.01168 84021.40381 806.9978211 840.0704651 798.6578132 984.4840013 866.90896 808.7036254 Car(12:0)_feature2 37488.21162 87272.75921 89793.01692 62598.12996 28968.97828 26456.09094 129669.8109 75171.06696 36433.42956 38198.56021 126640.5159 95337.67471 100579.3407 47070.38282 82616.72778 124314.4544 36655.13976 97018.43898 96519.96118 95468.93061 54911.91908 29368.28482 113181.4844 71593.63673 49616.67517 89328.0167 116137.9317 104181.7352 103355.2629 177994.0026 281892.1282 96466.017 96766.445 105834.9938 45892.64176 183847.3486 134944.4283 222074.8802 141024.6543 91492.31732 145199.0342 154948.1364 74213.95576 194004.9743 101189.1116 101094.6287 97391.75556 251463.0905 238272.2068 110498.3266 80013.91652 71836.97211 20969.95354 21824.89936 86858.6197 101166.8581 98564.35376 102310.5272 105028.4088 77887.91899 100726.5287 87626.61607 103297.2455 1239.0192 1181.851976 1015.560521 1156.820914 399.1540397 1594.029557 Car(12:0)_feature1 58015.95897 98377.28674 97273.68029 71659.03448 44283.73007 41974.63661 166990.8472 118292.6846 39116.94473 48847.99528 121114.8124 163144.7286 122912.4701 71027.56858 112748.8079 119830.6379 60501.57596 151352.5494 130642.5301 122647.2831 59427.35343 36429.89958 163862.5603 74795.60922 57831.92191 138663.5583 156637.6721 127010.0219 164781.9636 224679.5898 290599.7262 110888.8214 128881.5588 103753.8475 59734.96721 231542.03 139253.8773 243902.535 158581.8325 97276.81371 168614.6711 187631.9129 98822.00771 231063.7556 224321.0173 174797.1695 111827.7687 291018.2555 276978.6662 149819.8708 107505.8621 112841.0695 29022.32792 24692.88617 122833.9585 119454.8268 123986.8896 117548.802 113661.9673 140376.4638 118854.6871 128906.2862 112098.4809 1112.00784 1626.060937 667.0900023 1094.768634 616.502842 1210.219847 Car(10:0)_feature1 56881.15714 80650.99023 76816.72735 62823.26058 38275.9415 56581.32588 86867.51608 86427.79855 39343.83908 41412.91328 89527.1795 81638.7529 85606.95539 56558.84767 90521.77058 101719.7172 63087.29185 130286.2234 90695.83484 122603.6186 62081.03184 38914.7527 113655.3321 67836.88894 53095.0825 92107.80128 112418.085 110984.7401 113350.9011 158040.3475 109380.612 84843.22635 107256.4281 102751.1232 56994.48866 169421.1499 119764.2769 153191.419 100189.8544 75563.00173 125931.876 100264.7261 62684.58649 163495.9646 110615.765 127642.0648 86405.14793 159965.3257 187334.2299 101771.6439 98155.83925 96883.21456 32116.58415 36415.74781 93670.78729 89094.32805 94016.31279 92634.31673 92827.65171 96296.61625 92177.42597 96222.92218 87827.81281 1707.7339 1966.776961 2172.71269 1615.393314 2516.557241 2058.795073 3-(1-pyrazolyl)-alanine_feature1 17005.93952 114526.0688 9299.45289 69370.82834 54648.02298 76574.68241 19316.32372 120243.407 57713.03082 91651.66083 86162.67523 83516.38338 88087.65143 17332.14229 63162.10126 8193.350579 93947.72407 96008.98716 96055.54885 83877.60077 60693.08554 53632.39324 97767.65911 76828.10274 7937.031987 82281.19636 77830.0307 71936.55761 93119.82445 119400.171 64384.36247 80119.62777 77022.34027 93741.96754 95826.94712 22638.17384 12769.17184 87331.26516 87342.52747 66318.1008 15321.81204 96969.37878 67871.77868 94448.09579 15717.38534 9832.475163 68626.8256 13583.63774 83997.43206 20041.89573 49822.39884 46084.33279 72897.76325 1452.083268 86809.53821 72345.71977 73057.67564 14205.16155 84501.70786 73601.48633 80263.31204 79904.09965 77799.20405 822.5527783 997.7222519 947.4972868 645.5860232 892.406602 890.3179699 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_[istd]_M+NH3 C51 H92 D7 N O6 829.7976566 828.7904 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_[istd]_M+NH3 8.72 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd] C41 H72 D9 N2 O6 P 738.6453466 737.6381 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd] 4.27 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_[istd] C42 H75 D7 N O13 P 830.5750866 829.5678 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_[istd] 4.12 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] C39 H68 D7 O10 P 742.5595766 741.5523 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] 4.29 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] C38 H67 D7 N O8 P 711.5654166 710.5581 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] 4.87 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] C23 H39 D7 N O7 P 487.3516666 486.3444 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] 2.12 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd] C41 H73 D7 N O8 P 753.6125966 752.6053 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd] 4.63 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] C26 H45 D7 N O7 P 529.3984766 528.3912 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] 2.07 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_[istd] C36 H61 D7 O5 605.5842066 604.5769 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_[istd] 6.36 GTInternalStandard_CE(18:1(9z,d7))_[istd] C45 H71 D7 O2 658.6507566 657.6435 GTInternalStandard_CE(18:1(9z,d7))_[istd] 9.69 Ubiquinol Q9_feature1 C54 H84 O4 797.6437566 796.6365 Ubiquinol Q9 7.16 Ubiquinol Q10_M+NH3_feature1 C59 H95 N O4 882.7326866 881.7254 Ubiquinol Q10 7.61 TG(60:4)_M+NH3_feature1 C63 H117 N O6 984.8942766 983.887 TG(60:4)_lp_a 9.61 TG(60:3)_M+NH3_feature2 C63 H119 N O6 986.9091866 985.9019 TG(60:3)_lp_b 9.78 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature1 C63 H105 N O6 972.8006266 971.7934 TG(60:10)_lp_a 7.84 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature4 C63 H105 N O6 972.7989466 971.7917 TG(60:10)_lp_d 8.27 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 C63 H105 N O6 972.7990466 971.7918 TG(60:10)_lp_c 8.14 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature5 C63 H105 N O6 972.7994266 971.7922 TG(60:10)_lp_e 8.4 TG(58:9)_M+NH3_feature2 C61 H103 N O6 946.7838866 945.7766 TG(58:9)_lp_b 7.96 TG(58:9)_M+NH3_feature1 C61 H103 N O6 946.7869566 945.7797 TG(58:9)_lp_a 7.71 TG(58:9)_M+NH3_feature3 C61 H103 N O6 946.7838866 945.7766 TG(58:9)_lp_c 8.12 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 948.7998966 947.7926 TG(58:8)_lp_f 8.56 TG(58:8)_M+NH3_feature5 C61 H105 N O6 948.7992166 947.7919 TG(58:8)_lp_e 8.44 TG(58:8)_M+NH3_feature1 C61 H105 N O6 948.7934466 947.7862 TG(58:8)_lp_a 7.97 TG(58:8)_M+NH3_feature3 C61 H105 N O6 948.7991366 947.7919 TG(58:8)_lp_c 8.26 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 C61 H107 N O6 950.8146566 949.8074 TG(58:7)_lp_e 8.9 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 C61 H107 N O6 950.8147966 949.8075 TG(58:7)_lp_c 8.56 TG(58:6)_M+NH3_feature3 C61 H109 N O6 952.8206366 951.8134 TG(58:6)_lp_c 8.72 TG(58:6)_M+NH3_feature5 C61 H109 N O6 952.8308666 951.8236 TG(58:6)_lp_e 8.91 TG(58:5)_M+NH3_feature4 C61 H111 N O6 954.8390866 953.8318 TG(58:5)_lp_d 9.02 TG(58:5)_M+NH3_feature6 C61 H111 N O6 954.8468666 953.8396 TG(58:5)_lp_f 9.34 TG(58:5)_M+NH3_feature3 C61 H111 N O6 954.8467566 953.8395 TG(58:5)_lp_c 8.94 TG(58:5)_M+NH3_feature2 C61 H111 N O6 954.8374766 953.8302 TG(58:5)_lp_b 8.9 TG(58:4)_M+NH3_feature5 C61 H113 N O6 956.8625866 955.8553 TG(58:4)_lp_e 9.45 TG(58:3)_M+NH3_feature4 C61 H115 N O6 958.8776366 957.8704 TG(58:3)_lp_d 9.62 TG(58:2)_M+NH3_feature3 C61 H117 N O6 960.8931466 959.8859 TG(58:2)_lp_c 9.76 TG(58:11)_M+NH3_feature1 C61 H99 N O6 942.7535266 941.7463 TG(58:11)_lp_a 7.6 TG(58:11)_M+NH3_feature2 C61 H99 N O6 942.7533466 941.7461 TG(58:11)_lp_b 7.77 TG(58:10)_M+NH3_feature2 C61 H101 N O6 944.7691266 943.7619 TG(58:10)_lp_b 7.82 TG(58:10)_M+NH3_feature1 C61 H101 N O6 944.7707666 943.7635 TG(58:10)_lp_a 7.49 TG(58:10)_M+NH3_feature3 C61 H101 N O6 944.7691166 943.7618 TG(58:10)_lp_c 8.01 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 962.9100666 961.9028 TG(58:1)_lp_a 9.95 TG(57:4)_M+NH3_feature2 C60 H111 N O6 942.8474766 941.8402 TG(57:4)_lp_b 9.4 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature4 C59 H98 O6 903.7429366 902.7357 TG(18:2_18:2_20:4)_lp_d 7.96 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature1 C59 H101 N O6 920.7700166 919.7627 TG(18:2_18:2_20:4)_lp_a 7.65 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature5 C59 H101 N O6 920.7694966 919.7622 TG(16:0_18:2_22:6)_lp_e 8.13 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 C59 H103 N O6 922.7844566 921.7772 TG(16:0_18:1_22:6)_lp_f 8.47 TG(56:7)_M+NH3_feature3 C59 H103 N O6 922.7837266 921.7765 TG(56:7)_lp_c 8.03 TG(56:7)_M+NH3_feature5 C59 H103 N O6 922.7844666 921.7772 TG(56:7)_lp_e 8.28 TG(56:7)_M+NH3_feature2 C59 H103 N O6 922.7765766 921.7693 TG(56:7)_lp_b 7.96 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature2 C59 H105 N O6 924.7907566 923.7835 TG(56:6)_lp_b 8.21 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 924.8004966 923.7932 TG(56:6)_lp_c 8.61 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature1 C59 H105 N O6 924.7994066 923.7921 TG(56:6)_lp_a 8.08 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature4 C59 H104 O6 909.7901166 908.7828 TG(16:0_18:1_22:4)_lp_d 8.94 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature1 C59 H107 N O6 926.8063566 925.7991 TG(16:0_18:1_22:4)_lp_a 8.29 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature2 C59 H107 N O6 926.8149166 925.8076 TG(16:0_18:1_22:4)_lp_b 8.39 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 C59 H107 N O6 926.8165166 925.8092 TG(16:0_18:1_22:4)_lp_e 9.09 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 928.8306666 927.8234 TG(56:4)_lp_d 9.17 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 928.8305266 927.8233 TG(56:4)_lp_b 8.74 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 928.8218266 927.8146 TG(56:4)_lp_a 8.64 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature5 C59 H109 N O6 928.8305266 927.8233 TG(56:4)_lp_e 8.87 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature6 C59 H109 N O6 928.8306466 927.8234 TG(56:4)_lp_f 9.43 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature3 C59 H109 N O6 928.8229866 927.8157 TG(56:4)_lp_c 9.08 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 930.8469366 929.8397 TG(56:3)_lp_c 9.44 TG(56:2)_M+NH3_feature3 C59 H113 N O6 932.8618366 931.8546 TG(56:2)_lp_c 9.61 TG(56:2)_M+NH3_feature2 C59 H113 N O6 932.8614766 931.8542 TG(56:2)_lp_b 9.44 TG(56:10)>TG(18:2_18:3_20:5)_M+NH3_feature1 C59 H97 N O6 916.7376266 915.7304 TG(18:2_18:3_20:5) 7.49 TG(56:1)_M+NH3_feature1 C59 H115 N O6 934.8794166 933.8721 TG(56:1)_lp_a 9.63 TG(56:1)_M+NH3_feature2 C59 H115 N O6 934.8788066 933.8715 TG(56:1)_lp_b 9.78 TG(55:7)_M+NH3_feature2 C58 H101 N O6 908.7689566 907.7617 TG(55:7)_lp_b 8.12 TG(55:6)_M+NH3_feature2 C58 H103 N O6 910.7834966 909.7762 TG(55:6)_lp_b 8.49 TG(55:6)_M+NH3_feature1 C58 H103 N O6 910.7837166 909.7764 TG(55:6)_lp_a 8.44 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature1 C58 H105 N O6 912.7994266 911.7922 TG(55:5)_lp_a 8.42 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 912.7992866 911.792 TG(55:5)_lp_c 8.73 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 912.7993566 911.7921 TG(55:5)_lp_b 8.62 TG(55:4)>TG(18:1_18:2_19:1)_and_TG(18:2_18:2_19:0)_and_TG(18:1_18:1_19:2)_M+NH3_feature1 C58 H107 N O6 914.8160866 913.8088 TG(55:4)_lp_a 8.97 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 914.8148866 913.8076 TG(55:4)_lp_b 9.12 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 916.8307966 915.8235 TG(55:3)_lp_c 9.34 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature1 C58 H111 N O6 918.8367566 917.8295 TG(18:1_18:1_19:0)_lp_a 9.3 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature2 C58 H111 N O6 918.8468666 917.8396 TG(18:1_18:1_19:0)_lp_b 9.53 TG(55:1)_M+NH3_feature2 C58 H113 N O6 920.8621566 919.8549 TG(55:1)_lp_b 9.69 TG(54:8)_M+NH3_feature1 C57 H97 N O6 892.7373066 891.73 TG(54:8)_lp_a 7.66 TG(54:8)_M+NH3_feature2 C57 H97 N O6 892.7375266 891.7303 TG(54:8)_lp_b 7.77 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature2 C57 H99 N O6 894.7440166 893.7367 TG(18:2_18:2_18:3)_lp_b 7.76 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature1 C57 H99 N O6 894.7440466 893.7368 TG(18:2_18:2_18:3)_lp_a 7.67 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature3 C57 H99 N O6 894.7537666 893.7465 TG(18:2_18:2_18:3)_lp_c 7.83 TG(54:7)>TG(16:0_16:1_22:6)_and_TG(16:0_18:2_20:5)_M+NH3_feature4 C57 H99 N O6 894.7538466 893.7466 TG(54:7)_lp_d 8.02 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature2 C57 H101 N O6 896.7599866 895.7527 TG(54:6)_lp_b 7.92 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 878.7359 TG(54:6)_lp_d 8.08 TG(54:6)>TG(18:2/18:2/18:2)_M+NH3_feature1 C57 H101 N O6 896.7599266 895.7527 TG(18:2_18:2_18:2)_lp_a 7.83 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 C57 H101 N O6 896.7699266 895.7627 TG(16:0_18:2_20:4)_lp_e 8.29 TG(54:6)>TG(16:0_16:0_22:6)_M+NH5_feature6 C57 H101 N O6 896.7698866 895.7626 TG(54:6)_lp_f 8.5 TG(54:5)>TG(18:1_18:2_18:2)_and_TG(16:0_16:0_22:5)_and_TG(16:0_18:1_20:4)_M+NH3_feature5 C57 H103 N O6 898.7851966 897.7779 TG(54:5)_lp_e 8.63 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 C57 H100 O6 881.7583666 880.7511 TG(18:1_18:2_18:2)_lp_d 8.4 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature5 C57 H103 N O6 898.7753666 897.7681 TG(18:1_18:2_18:2)_lp_a 8.09 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature2 C57 H103 N O6 898.7832766 897.776 TG(18:1_18:2_18:2)_lp_b 8.18 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 900.8025466 899.7953 TG(54:4)_lp_c 8.47 TG(54:4)>TG(18:1_18:1_18:2)_feature5 C57 H102 O6 883.7736666 882.7664 TG(18:1_18:1_18:2)_lp_e 8.86 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature4 C57 H105 N O6 883.7733666 882.7661 TG(18:1_18:1_18:2)_lp_d 8.75 TG(54:4)_M+NH3_feature6 C57 H105 N O6 900.7998266 899.7926 TG(54:4)_lp_f 9.11 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature5 C57 H107 N O6 902.8161566 901.8089 TG(18:1_18:1_18:1)_lp_e 8.69 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature3 C57 H107 N O6 902.8066166 901.7993 TG(18:1_18:1_18:1)_lp_c 8.45 TG(54:3)>TG(18:0_18:1_18:2)_and_TG(18:1/18:1/18:1)_and_TG(16:0_18:2_20:1)_M+NH3_feature9 C57 H107 N O6 902.8157866 901.8085 TG(54:3)_lp_i 9.21 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_feature8 C57 H107 N O6 902.8158066 901.8085 TG(54:3)_lp_h 9.12 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature3 C57 H106 O6 887.8058366 886.7986 TG(54:2)_lp_c 9.45 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 904.8225166 903.8152 TG(54:2)_lp_a 8.79 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+NH11_feature3 C57 H111 N O6 906.8479866 905.8407 TG(54:1)_lp_c 9.62 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH5_feature1 C57 H111 N O6 906.8412266 905.834 TG(54:1)_lp_a 9.15 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 882.7534866 881.7462 TG(53:6)_lp_b 8.09 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature1 C56 H101 N O6 884.7687766 883.7615 TG(17:1_18:2_18:2)_lp_a 8.22 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature2 C56 H101 N O6 884.7684566 883.7612 TG(17:1_18:2_18:2)_lp_b 8.42 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature3 C56 H103 N O6 886.7846066 885.7773 TG(53:4)_lp_c 8.65 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 H103 N O6 886.7850666 885.7778 TG(53:3)_lp_a 8.6 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 888.8011466 887.7939 TG(53:3)_lp_d 8.91 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 888.8011166 887.7938 TG(53:3)_lp_e 9 TG(53:2)_M+NH3_feature2 C56 H107 N O6 890.8162866 889.809 TG(53:2)_lp_b 9.15 TG(53:2)_M+NH3_feature3 C56 H107 N O6 890.8162366 889.809 TG(53:2)_lp_c 9.25 TG(53:2)_M+NH3_feature4 C56 H107 N O6 890.8165366 889.8093 TG(53:2)_lp_d 9.33 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 892.8322266 891.825 TG(53:1)_lp_d 9.54 TG(52:7)_M+NH3_feature2 C55 H95 N O6 866.7224966 865.7152 TG(52:7)_lp_b 7.66 TG(52:6)_M+NH3_feature4 C55 H97 N O6 868.7383666 867.7311 TG(52:6)_lp_d 7.91 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature3 C55 H99 N O6 870.7536866 869.7464 TG(16:1_18:2_18:2)_lp_c 8.04 TG(52:5)>TG(16:0_18:2_18:3)_feature5 C55 H96 O6 853.7273466 852.7201 TG(16:0_18:2_18:3)_lp_e 8.16 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature2 C55 H101 N O6 872.7719566 871.7647 TG(16:1_18:1_18:2)_lp_b 8.02 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature5 C55 H101 N O6 872.7698666 871.7626 TG(16:1_18:1_18:2)_lp_e 8.43 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature4 C55 H103 N O6 874.7855466 873.7783 TG(52:3)_lp_d 8.78 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature2 C55 H103 N O6 874.7844466 873.7772 TG(52:3)_lp_b 8.35 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature5 C55 H102 O6 859.7747366 858.7675 TG(52:2)_lp_e 9.15 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_feature3 C55 H104 O6 861.7903266 860.7831 TG(52:1)_lp_c 9.46 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 C55 H109 N O6 880.8321766 879.8249 TG(16:0_16:0_20:0)_lp_c 9.64 TG(51:5)>TG(15:0_18:2_18:3)_and_TG(51:5)>TG(15:1_18:2_18:2)_M+NH3_feature2 C54 H97 N O6 856.7377966 855.7305 TG(51:5)_lp_b 7.97 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 858.7538766 857.7466 TG(51:4) 8.23 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 860.7693766 859.7621 TG(51:3)_lp_c 8.57 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 862.7852166 861.7779 TG(51:2)_lp_b 8.94 TG(51:1)_M+NH3_feature3 C54 H105 N O6 864.8011866 863.7939 TG(51:1)_lp_c 9.35 TG(51:0)>TG(16:0_17:0_18:0)_and_TG(16:0_16:0_19:0)_and_TG(15:0_17:0_19:0)_M+NH3_feature2 C54 H107 N O6 866.8165766 865.8093 TG(51:0)_lp_b 9.56 TG(51:3)>TG(15:0_18:1_18:2)_and_TG(16:0_17:1_18:2)_and_TG(16:1_17:1_18:1)_M+NH3_feature2 C53 H93 N O6 840.7064366 839.6992 TG(51:3)_lp_b 7.58 TG(50:5)_M+NH3_feature2 C53 H95 N O6 842.7219466 841.7147 TG(50:5)_lp_b 7.79 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature1 C53 H97 N O6 844.7380366 843.7308 TG(50:4)_lp_a 7.68 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature3 C53 H97 N O6 844.7379766 843.7307 TG(50:4)_lp_c 8.24 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature2 C53 H94 O6 827.7114766 826.7042 TG(50:4)_lp_b 8.04 TG(50:3)_M+NH3_feature3 C53 H96 O6 829.7272666 828.72 TG(50:3)_lp_c 8.37 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature2 C53 H98O6 831.7431266 830.7359 TG(50:2)_lp_b 8.72 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature3 C53 H98 O6 831.7431666 830.7359 TG(50:2)_lp_c 8.82 TG(50:1)>TG(16:0_16:0_18:1)_feature4 C53 H100 O6 833.7589266 832.7517 TG(16:0_16:0_18:1)_lp_d 9.19 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 C53 H105 N O6 852.8008666 851.7936 TG(16:0_16:0_18:0)_lp_c 9.48 TG(49:3)_M+NH3_feature2 C52 H97 N O6 832.7376466 831.7304 TG(49:3)_lp_b 8.18 TG(49:2)_M+NH3_feature3 C52 H99 N O6 834.7536666 833.7464 TG(49:2)_lp_c 8.51 TG(49:2)_M+NH3_feature4 C52 H99 N O6 834.7532266 833.746 TG(49:2)_lp_d 8.59 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 836.7693166 835.762 TG(49:1) 8.96 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 838.7853566 837.7781 TG(49:0) 9.37 TG(48:3)_M+NH3_feature2 C51 H95 N O6 818.7219866 817.7147 TG(48:3)_lp_b 7.99 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 820.7377466 819.7305 TG(48:2)_lp_c 8.38 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 822.7533766 821.7461 TG(48:1)_lp_c 8.74 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 824.7691566 823.7619 TG(48:0) 9.22 TG(46:2)_M+NH3_feature2 C49 H93 N O6 792.7063066 791.699 TG(46:2)_lp_b 7.99 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 794.7217266 793.7145 TG(46:1)_lp_b 8.33 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 796.7376166 795.7303 TG(46:0) 8.77 TG(44:2)>TG(10:0_16:1_18:1)_M+NH3_feature2 C47 H89 N O6 764.6754766 763.6682 TG(10:0_16:1_18:1)_lp_b 7.66 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature3 C47 H91 N O6 766.6906866 765.6834 TG(10:0_16:0_18:1)_lp_c 7.96 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 C43 H79 N O6 706.5970666 705.5898 TG(4:0_18:1_18:2)_lp_b 6.88 TG(38:2)>TG(4:0_16:1_18:1)_and_TG(4:0_16:0_18:2)_M+NH3_feature3 C41 H77 N O6 680.5815266 679.5743 TG(38:2)_lp_c 6.88 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature2 C41 H79 N O6 682.5969766 681.5897 TG(4:0_16:0_18:1)_lp_b 7.13 tauroursodeoxycholate_feature1 C26 H45 N O6 S 500.3032766 499.296 Tauroursodeoxycholic acid 0.93 sphingosine-1P (C18)_feature1 C18 H37 N O2 300.2890466 299.2818 Sphingosine 1.72 sn-glycero-3-phosphocholine_feature1 C8 H20 N O6 P 258.1094166 257.1021 sn-Glycero-3-phosphocholine 0.77 SM(d44:3)_feature1 C49 H95 N2 O6 P 839.6981966 838.6909 SM(d44:3) 6.69 SM(d44:2)_feature1 C49 H97 N2 O6 P 841.7136066 840.7063 SM(d44:2)_lp_a 6.93 SM(d44:1)_feature1 C49 H99 N2 O6 P 843.7304066 842.7231 SM(d44:1) 7.27 SM(d43:2)_feature2 C48 H95 N2 O6 P 827.6981866 826.6909 SM(d43:2)_lp_b 6.81 SM(d43:1)_feature1and2 C48 H97 N2 O6 P 829.7146066 828.7073 SM(d43:1)_lp_ab 7.04 SM(d42:3)_feature1 C47 H91 N2 O6 P 811.6669966 810.6597 SM(d42:3)_lp_a 6.08 SM(d42:2)_feature2 C47 H93 N2 O6 P 813.6837866 812.6765 SM(d42:2)_lp_b 6.63 SM(d42:2)_feature1 C47 H93 N2 O6 P 813.6839666 812.6767 SM(d42:2)_lp_a 6.39 SM(d42:1)_feature2 C47 H95 N2 O6 P 815.6996166 814.6923 SM(d42:1)_lp_b 6.96 SM(d42:1)_feature1 C47 H95 N2 O6 P 815.6993066 814.692 SM(d42:1)_lp_a 6.76 SM(d42:0)_feature2 C47 H97 N2 O6 P 817.7146766 816.7074 SM(d42:0)_lp_b 7.07 SM(d41:2)_feature1 C46 H91 N2 O6 P 799.6680066 798.6607 SM(d41:2)_lp_a 6.38 SM(d41:2)_feature2and3 C46 H91 N2 O6 P 799.6680066 798.6607 SM(d41:2)_lp_bc 6.55 SM(d41:1)_feature1 C46 H93 N2 O6 P 801.6842266 800.677 SM(d41:1) 6.83 SM(d41:0)_feature1 C46 H95 N2 O6 P 803.6997266 802.6925 SM(d41:0) 6.93 SM(d40:2)_feature1 C45 H89 N2 O6 P 785.6521366 784.6449 SM(d40:2)_lp_a 5.95 SM(d40:2)_feature2 C45 H89 N2 O6 P 785.6522366 784.645 SM(d40:2)_lp_b 6.2 SM(d40:1)_feature1 C45 H91 N2 O6 P 787.6682966 786.661 SM(d40:1)_lp_a 6.29 SM(d40:1)>SM(d18:1/22:0)_feature2 C45 H91 N2 O6 P 787.6682266 786.661 SM(d40:1)_lp_b 6.67 SM(d40:0)_feature1 C45 H93 N2 O6 P 789.6839666 788.6767 SM(d40:0) 6.8 SM(d38:2)_feature2 C43 H85 N2 O6 P 757.6213566 756.6141 SM(d38:2)_lp_b 5.24 SM(d38:1)_feature2 C43 H87 N2 O6 P 759.6369666 758.6297 SM(d38:1)_lp_b 6.01 SM(d37:1)_feature1 C42 H85 N2 O6 P 745.6209166 744.6136 SM(d37:1) 5.52 SM(d36:2)_feature1 C41 H81 N2 O6 P 729.5886466 728.5814 SM(d36:2) 4.34 SM(d36:1)_feature1 C41 H83 N2 O6 P 731.6056566 730.5984 SM(d36:1) 5.04 SM(d36:0)_feature1 C41 H85 N2 O6 P 733.6207966 732.6135 SM(d36:0) 5.41 SM(d35:1)_feature1 C40 H81 N2 O6 P 717.5892466 716.582 SM(d35:1) 4.6 SM(d34:2)_feature1 C39 H77 N2 O6 P 701.5583166 700.551 SM(d34:2) 3.63 SM(d34:1)_feature1 C39 H79 N2 O6 P 703.5737766 702.5665 SM(d34:1) 4.19 SM(d34:0-OH)_feature1 C39 H81 N2 O7 P 721.5836366 720.5764 SM(d34:0-OH) 3.84 SM(d34:0)_feature1 C39 H81 N2 O6 P 705.5890066 704.5817 SM(d34:0) 4.5 SM(d33:1)_feature1 C38 H77 N2 O6 P 689.5575766 688.5503 SM(d33:1) 3.85 SM(d32:1)_feature1 C37 H75 N2 O6 P 675.5426966 674.5354 SM(d32:1) 3.53 SiE(20:4)_M+NH3_feature3 C49 H83 N O2 718.6488266 717.6416 Sitosterol Ester(20:4)_lp_c 9.49 PS(40:7)_feature1 C46 H76 N O10 P 834.5264466 833.5192 PS(40:7) 3.82 PS(40:6)>PS(18:0_22:6)_feature3 C46 H78 N O10 P 836.6055866 835.5983 PS(18:0_22:6)_lp_c 4.49 PS(40:6)_feature3 C46 H78 N O10 P 836.5414566 835.5342 PS(40:6)_lp_c 4.52 PS(40:5)_feature3 C46 H80 N O10 P 838.5573866 837.5501 PS(40:5)_lp_c 4.77 PS(40:4)_feature1 C46 H82 N O10 P 840.5724066 839.5651 PS(40:4) 5.33 PS(38:4)>PS(18:0_20:4)_feature2 C44 H78 N O10 P 812.5415366 811.5343 PS(18:0_20:4)_lp_b 4.73 PS(38:3)_feature3 C44 H80 N O10 P 814.5581566 813.5509 PS(38:3)_lp_b 5.08 PS(38:3)>PS(18:0_20:3)_feature3 C44 H80 N O10 P 814.5591066 813.5518 PS(38:3)_lp_c 5.38 PS(36:2)_feature4 C42 H78 N O10 P 788.5426666 787.5354 PS(36:2)_lp_d 4.83 PS(36:1)>PS(18:0_18:1)_feature1 C42 H80 N O10 P 790.5341466 789.5269 PS(36:1) 5.51 PI(40:6)>PI(18:0_22:6)_feature2 C49 H83 O13 P 911.5620566 910.5548 PI(18:0_22:6)_lp_b 4.43 PI(40:5)>PI(18:0_22:5)_feature1 C49 H85 O13 P 913.5780666 912.5708 PI(18:0_22:5)_lp_a 4.65 PI(40:5)>PI(18:0_22:5)_M+NH3_feature2 C49 H88 N O13 P 930.6044866 929.5972 PI(18:0_22:5)_lp_b 4.95 PI(38:5)>PI(18:1_20:4)_feature1 C47 H81 O13 P 885.5469466 884.5397 PI(18:1_20:4)_lp_a 3.91 PI(38:4)>PI(18:0_20:4)_feature2 C47 H83 O13 P 887.5626866 886.5554 PI(18:0_20:4)_lp_b 4.62 PI(38:3)>PI(18:0_20:3)_feature2 C47 H85 O13 P 889.5777966 888.5705 PI(18:0_20:3)_lp_b 4.96 PI(36:4)>PI(16:0_20:4)_feature1 C45 H79 O13 P 859.5309466 858.5237 PI(16:0_20:4) 3.87 PI(36:3)_feature2 C45 H81 O13 P 861.5461066 860.5388 PI(36:3)_lp_b 4.14 PI(34:2)_feature1 C43 H79 O13 P 835.5314166 834.5241 PI(34:2) 3.96 phenylalanine_feature1 C9 H11 N O2 166.0834566 165.0762 Phenylalanine 0.75 PG(38:4)>PG(18:0_20:4)_feature3 C44 H79 O10 P 816.5743866 815.5671 PG(18:0_20:4) 4.79 PE(O-40:8)>PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 774.5422066 773.5349 PE(O-40:8)_lp_b 4.78 PE(O-40:7)>PE(O-18:2/22:5)_feature3 C45 H78 N O7 P 776.5552866 775.548 PE(O-40:7)_lp_c 5.06 PE(O-40:7)>PE(O-18:2/22:5)_feature1 C45 H78 N O7 P 776.5572666 775.55 PE(O-40:7)_lp_a 5.04 PE(O-40:7)>PE(O-18:2/22:5)_feature4 C45 H78 N O7 P 776.5592266 775.552 PE(O-40:7)_lp_d 5.14 PE(O-40:7)>PE(O-18:1/22:6)_feature7 C45 H78 N O7 P 776.5579766 775.5507 PE(O-18:1/22:6)_lp_g 5.65 PE(O-40:7)>PE(O-18:1/22:6)_feature6 C45 H78 N O7 P 776.6057466 775.5985 PE(O-18:1/22:6)_lp_f 5.56 PE(O-40:6)>PE(O-18:2/22:4)_feature2 C45 H80 N O7 P 778.5737566 777.5665 PE(O-40:6)_lp_b 5.64 PE(O-40:6)>PE(O-18:1/22:5)_feature5 C45 H80 N O7 P 778.5738566 777.5666 PE(O-18:1/22:5)_lp_e 6.24 PE(O-40:6)>PE(O-18:1/22:5)_feature4 C45 H80 N O7 P 778.5736766 777.5664 PE(O-18:1/22:5)_lp_d 5.94 PE(O-40:5)>PE(O-18:1/22:4)_feature4 C45 H82 N O7 P 780.5895466 779.5823 PE(O-18:1/22:4)_lp_d 6.46 PE(O-40:5)>PE(O-18:1/22:4)_feature5 C45 H82 N O7 P 780.5895566 779.5823 PE(O-18:1/22:4)_lp_e 6.63 PE(O-40:4)_feature4 C45 H84 N O7 P 782.6055666 781.5983 PE(O-40:4)_lp_d 6.7 PE(O-40:4)_feature3 C45 H84 N O7 P 782.6053766 781.5981 PE(O-40:4)_lp_c 6.55 PE(O-38:7)>PE(O-16:1/22:6)_feature2 C43 H74 N O7 P 748.5262266 747.519 PE(O-16:1/22:6)_lp_b 4.74 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 750.5418166 749.5345 PE(O-38:6)_lp_b 5 PE(O-38:5)>PE(O-18:2/20:3)_feature4 C43 H78 N O7 P 752.5516266 751.5444 PE(O-38:5)_lp_d 5.02 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 752.5587266 751.5515 PE(O-18:1/20:4)_lp_f 5.91 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 752.5588166 751.5515 PE(O-16:1/22:4)_lp_e 5.6 PE(O-38:5)_feature3 C43 H78 N O7 P 752.5584566 751.5512 PE(O-38:5)_lp_c 5.15 PE(O-38:4)_feature3 C43 H80 N O7 P 754.5744566 753.5672 PE(O-38:4)_lp_c 5.77 PE(O-38:4)_feature4 C43 H80 N O7 P 754.5740166 753.5667 PE(O-38:4)_lp_d 6.07 PE(O-37:5)>PE(O-17:1/20:4)_feature2 C42 H76 N O7 P 738.5424666 737.5352 PE(O-17:1/20:4)_lp_b 5.43 PE(O-37:5)>PE(O-17:1/20:4)_feature1 C42 H76 N O7 P 738.5424866 737.5352 PE(O-17:1/20:4)_lp_a 5.27 PE(O-36:5)>PE(O-16:1/20:4)_feature2 C41 H74 N O7 P 724.5261666 723.5189 PE(O-16:1/20:4)_lp_b 4.81 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 724.5261566 723.5189 PE(O-16:1/20:4)_lp_c 4.96 PE(O-36:4)>PE(O-16:1/20:3)_feature2 C41 H76 N O7 P 726.5416766 725.5344 PE(O-36:4)_lp_b 5.35 PE(O-36:3)>PE(O-18:1/18:2)_feature6 C41 H78 N O7 P 728.5580266 727.5508 PE(O-18:1/18:2)_lp_f 6.07 PE(O-36:4)_feature1 C41 H76 N O7 P 726.5416766 725.5344 PE(O-36:4)_lp_a 5.13 PE(O-36:2)>PE(O-18:1/18:1)_feature2 C41 H80 N O7 P 730.5735366 729.5663 PE(O-18:1/18:1)_lp_b 6.6 PE(O-34:2)>PE(O-16:1/18:1)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 702.5427866 701.5355 PE(O-34:2)_lp_a 5.84 PE(42:8)>PE(20:4_22:4)_feature4 C47 H78 N O8 P 816.5495266 815.5423 PE(20:4_22:4)_lp_d 5.53 PE(42:8)>PE(20:4_22:4)_feature2 C47 H78 N O8 P 816.5517166 815.5444 PE(20:4_22:4)_lp_b 4.51 PE(42:8)>PE(20:4_22:4)_feature5 C47 H78 N O8 P 816.5500766 815.5428 PE(20:4_22:4)_lp_e 5.8 PE(40:8)_feature1 C45 H74 N O8 P 788.5209766 787.5137 PE(40:8) 3.85 PE(40:7)_feature1 C45 H76 N O8 P 790.5356166 789.5283 PE(40:7)_lp_a 3.79 PE(40:7)_feature4 C45 H76 N O8 P 790.5358666 789.5286 PE(40:7)_lp_d 4.75 PE(40:7)_feature2 C45 H76 N O8 P 790.5355166 789.5282 PE(40:7)_lp_b 3.97 PE(40:7)_feature3 C45 H76 N O8 P 790.5356866 789.5284 PE(40:7)_lp_c 4.4 PE(40:6)_feature3 C45 H78 N O8 P 792.5503766 791.5431 PE(40:6)_lp_c 5.92 PE(40:6)_feature2 C45 H78 N O8 P 792.5534966 791.5462 PE(40:6)_lp_b 5.23 PE(40:5)_feature4 C45 H80 N O8 P 794.5677766 793.5605 PE(40:5)_lp_d 5.8 PE(40:5)_feature5 C45 H80 N O8 P 794.5688366 793.5616 PE(40:5)_lp_e 5.64 PE(40:5)_feature2 C45 H80 N O8 P 794.5677866 793.5605 PE(40:5)_lp_b 5.03 PE(40:5)_feature3 C45 H80 N O8 P 794.5676566 793.5604 PE(40:5)_lp_c 5.5 PE(40:5)_feature1 C45 H80 N O8 P 794.5675066 793.5602 PE(40:5)_lp_a 4.52 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 796.5834666 795.5762 PE(18:0_22:4)_lp_b 6.07 PE(40:4)>PE(18:0_22:4)_feature4 C45 H82 N O8 P 796.5835166 795.5762 PE(18:0_22:4)_lp_d 6.37 PE(38:6)_feature3 C43 H74 N O8 P 764.5215466 763.5143 PE(38:6)_lp_c 4.36 PE(38:6)_feature5 C43 H74 N O8 P 764.5214866 763.5142 PE(38:6)_lp_e 4.89 PE(38:6)_feature4 C43 H74 N O8 P 764.5215866 763.5143 PE(38:6)_lp_d 4.76 PE(38:5)>PE(18:1_20:4)_feature3 C43 H76 N O8 P 766.5366066 765.5293 PE(18:1_20:4)_lp_c 4.59 PE(38:5)_feature2 C43 H76 N O8 P 766.5338866 765.5266 PE(38:5)_lp_b 4.07 PE(38:4)>PE(18:0_20:4)_feature4 C43 H78 N O8 P 768.5536366 767.5464 PE(18:0_20:4)_lp_d 5.14 PE(38:4)>PE(18:0_20:4)_feature1 C43 H78 N O8 P 768.5526266 767.5454 PE(18:0_20:4)_lp_a 4.28 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 768.5535866 767.5463 PE(18:0_20:4)_lp_e 5.47 PE(38:3)>PE(18:0_20:3)_feature2 C43 H80 N O8 P 770.5693366 769.5621 PE(18:0_20:3)_lp_b 5.59 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 770.5695766 769.5623 PE(18:0_20:3)_lp_c 5.82 PE(36:5)_feature1 C41 H72 N O8 P 738.5058866 737.4986 PE(36:5)_lp_a 3.69 PE(36:5)_feature3 C41 H72 N O8 P 738.5058266 737.4986 PE(36:5)_lp_c 4.07 PE(36:5)_feature4 C41 H72 N O8 P 738.5032266 737.496 PE(36:5)_lp_d 4.72 PE(36:5)_feature2 C41 H72 N O8 P 738.5057966 737.4985 PE(36:5)_lp_b 3.87 PE(36:4)>PE(16:0_20:4)_feature5 C41 H74 N O8 P 740.5189466 739.5117 PE(16:0_20:4)_lp_e 5.38 PE(36:4)>PE(16:0_20:4)_feature1 C41 H74 N O8 P 740.5219066 739.5146 PE(16:0_20:4)_lp_a 4.13 PE(36:4)_feature3 C41 H74 N O8 P 740.5218566 739.5146 PE(36:4)_lp_c 4.55 PE(36:3)_feature1 C41 H76 N O8 P 742.5370266 741.5298 PE(36:3)_lp_a 4.74 PE(36:2)>PE(18:2_18:0)_feature1 C41 H78 N O8 P 744.5541466 743.5469 PE(36:2)_lp_a 4.6 PE(36:2)>PE(18:2_18:0)_feature3 C41 H78 N O8 P 744.5534566 743.5462 PE(36:2)_lp_c 5.6 PE(36:1)_feature3 C41 H80 N O8 P 746.5696366 745.5624 PE(36:1)_lp_c 6.28 PE(34:2)_feature2 C39 H74 N O8 P 716.5217766 715.5145 PE(34:2)_lp_b 4.69 PE(34:1)_feature1 C39 H76 N O8 P 718.5370366 717.5298 PE(34:1)_lp_a 5.36 PC(O-40:7)_feature1 C48 H84 N O7 P 818.6036366 817.5964 PC(O-40:7)_lp_a 4.64 PC(O-40:6)_feature6 C48 H86 N O7 P 820.6205566 819.6133 PC(O-40:6)_lp_f 5.62 PC(O-40:6)_feature5 C48 H86 N O7 P 820.6203466 819.6131 PC(O-40:6)_lp_e 5.52 PC(O-40:6)_feature1 C48 H86 N O7 P 820.6208266 819.6136 PC(O-40:6)_lp_a 4.9 PC(O-40:4)_feature1 C48 H90 N O7 P 824.6514066 823.6441 PC(O-40:4)_lp_a 6.18 PC(O-40:4)_feature3 C48 H90 N O7 P 824.6514366 823.6442 PC(O-40:4)_lp_c 6.59 PC(O-38:6)_feature3 C46 H82 N O7 P 792.5891466 791.5819 PC(O-38:6)_lp_c 4.73 PC(O-38:6)_feature1 C46 H82 N O7 P 792.5889066 791.5816 PC(O-38:6)_lp_a 4.23 PC(O-38:5)_feature1 C46 H84 N O7 P 794.6044366 793.5972 PC(O-38:5)_lp_a 4.87 PC(O-38:5)_feature3 C46 H84 N O7 P 794.6050166 793.5977 PC(O-38:5)_lp_c 5.61 PC(O-38:4)_feature1 C46 H86 N O7 P 796.5839166 795.5766 PC(O-38:4)_lp_a 4.26 PC(O-38:4)_feature5 C46 H86 N O7 P 796.5830266 795.5758 PC(O-38:4)_lp_e 5.6 PC(O-38:4)_feature4 C46 H86 N O7 P 796.6210766 795.6138 PC(O-38:4)_lp_d 5.47 PC(O-38:4)_feature3 C46 H86 N O7 P 796.6210966 795.6138 PC(O-38:4)_lp_c 5.28 PC(O-38:2)_feature4 C46 H90 N O7 P 800.6521866 799.6449 PC(O-38:2)_lp_d 6.65 PC(O-37:5)_feature2 C45 H82 N O7 P 780.5883166 779.581 PC(O-37:5) 5.12 PC(O-36:5)_feature5 C44 H80 N O7 P 766.5725666 765.5653 PC(O-36:5)_lp_e 4.7 PC(O-36:4)_feature3 C45 H78 N5 O3 P 768.5449966 767.5377 PC(O-36:4)_lp_c 4.87 PC(O-36:4)_feature1 C44 H82 N O7 P 768.5896166 767.5823 PC(O-36:4)_lp_a 4.84 PC(O-36:4)_feature4 C44 H82 N O7 P 768.5862466 767.579 PC(O-36:4)_lp_d 5.09 PC(O-36:3)_feature1 C44 H84 N O7 P 770.6043666 769.5971 PC(O-36:3)_lp_a 5.01 PC(O-36:2)_feature2 C44 H86 N O7 P 772.6204866 771.6132 PC(O-36:2)_lp_b 5.94 PC(O-36:1)_feature3 C44 H88 N O7 P 774.6363566 773.6291 PC(O-36:1)_lp_c 6.52 PC(O-36:0)_feature1 C44 H90 N O7 P 776.6521166 775.6448 PC(O-36:0) 6.84 PC(O-34:2)_feature1 C42 H82 N O7 P 744.5884366 743.5812 PC(O-34:2)_lp_a 4.99 PC(O-34:1)_feature2 C42 H84 N O7 P 746.6047466 745.5975 PC(O-18:1/16:0)_lp_b 5.64 PC(O-34:1)_feature4 C42 H84 N O7 P 746.6052666 745.598 PC(O-34:1)_lp_d 6.39 PC(O-34:0)_feature1 C42 H86 N O7 P 748.6208366 747.6136 PC(O-34:0) 6.49 PC(O-33:0)_feature4 C41 H84 N O7 P 734.6052266 733.598 PC(O-33:0)_lp_d 6.1 PC(O-32:0)_feature1 C40 H82 N O7 P 720.5895466 719.5823 PC(O-32:0) 5.62 PC(O-30:0)_feature1 C38 H78 N O7 P 692.5574566 691.5502 PC(O-30:0) 4.72 PC(44:8)_feature2 C52 H88 N O8 P 886.5528566 885.5456 PC(44:8)_lp_b 4.79 PC(44:5)_feature2 C52 H94 N O8 P 892.6772466 891.67 PC(44:5)_lp_b 6.67 PC(44:4)_feature2 C52 H96 N O8 P 894.6924366 893.6852 PC(44:4)_lp_b 6.98 PC(44:12)_feature1 C52 H80 N O8 P 878.5683866 877.5611 PC(44:12) 3.41 PC(44:10)_feature1 C52 H84 N O8 P 882.5991966 881.5919 PC(44:10) 4 PC(42:9)_feature1 C50 H82 N O8 P 856.5832766 855.576 PC(42:9)_lp_a 3.75 PC(42:9)_feature2 C50 H82 N O8 P 856.5832966 855.576 PC(42:9)_lp_b 3.83 PC(42:8)_feature3 C50 H84 N O8 P 858.5984966 857.5912 PC(42:8)_lp_c 4.28 PC(42:7)_feature4 C50 H86 N O8 P 860.6136866 859.6064 PC(42:7)_lp_d 4.93 PC(42:7)_feature1 C50 H86 N O8 P 860.6137266 859.6065 PC(42:7)_lp_a 4.53 PC(42:6)_feature3 C50 H88 N O8 P 862.6303766 861.6231 PC(42:6)_lp_c 5.5 PC(42:6)_feature4 C50 H88 N O8 P 862.6305266 861.6233 PC(42:6)_lp_d 5.91 PC(42:6)_feature1 C50 H88 N O8 P 862.6304766 861.6232 PC(42:6)_lp_a 5.06 PC(42:6)_feature2 C50 H88 N O8 P 862.6307966 861.6235 PC(42:6)_lp_b 5.22 PC(42:5)_feature1 C50 H90 N O8 P 864.6462766 863.639 PC(42:5)_lp_a 5.64 PC(42:5)_feature3 C50 H90 N O8 P 864.6461966 863.6389 PC(42:5)_lp_c 5.8 PC(42:5)_feature6 C50 H90 N O8 P 864.6462566 863.639 PC(42:5)_lp_f 6.07 PC(42:4)_feature5 C50 H92 N O8 P 866.6619266 865.6547 PC(42:4)_lp_e 6.7 PC(42:4)_feature3 C50 H92 N O8 P 866.6619566 865.6547 PC(42:4)_lp_c 6.45 PC(41:7)_feature1 C49 H84 N O8 P 846.5986466 845.5914 PC(41:7)_lp_a 4.54 PC(41:6)_feature3 C49 H86 N O8 P 848.6145666 847.6073 PC(41:6)_lp_c 5.43 PC(41:6)_feature2 C49 H86 N O8 P 848.6143566 847.6071 PC(41:6)_lp_b 5.24 PC(41:6)_feature1 C49 H86 N O8 P 848.6151066 847.6078 PC(41:6)_lp_a 4.78 PC(41:3)_feature1 C50 H80 N O8 P 854.5685566 853.5613 PC(41:3) 3.55 PC(40:8)_feature1 C48 H80 N O8 P 830.5683966 829.5611 PC(40:8) 3.69 PC(40:7)_feature3 C48 H82 N O8 P 832.5827766 831.5755 PC(40:7)_lp_c 4.18 PC(40:7)_feature1 C48 H82 N O8 P 832.5828266 831.5756 PC(40:7)_lp_a 3.87 PC(40:6)_feature3 C48 H84 N O8 P 834.6003666 833.5931 PC(40:6)_lp_c 4.95 PC(40:5)_feature1 C48 H86 N O8 P 836.6145066 835.6072 PC(40:5)_lp_a 4.82 PC(40:5)_feature3 C48 H86 N O8 P 836.6140766 835.6068 PC(40:5)_lp_c 5.14 PC(40:5)_feature4 C48 H86 N O8 P 836.6142566 835.607 PC(40:5)_lp_d 5.53 PC(40:5)_feature2 C48 H86 N O8 P 836.6144066 835.6071 PC(40:5)_lp_b 4.87 PC(40:4)_feature2 C48 H88 N O8 P 838.6317766 837.6245 PC(40:4)_lp_b 5.82 PC(40:4)_feature1 C48 H88 N O8 P 838.6314266 837.6242 PC(40:4)_lp_a 5.43 PC(40:4)_feature3 C48 H88 N O8 P 838.6318466 837.6246 PC(40:4)_lp_c 6.13 PC(40:2)_feature3 C48 H92 N O8 P 842.6621066 841.6548 PC(40:2)_lp_c 6.75 PC(40:2)_feature2 C48 H92 N O8 P 842.6615066 841.6542 PC(40:2)_lp_b 6.65 PC(40:1)_feature1 C48 H94 N O8 P 844.6774066 843.6701 PC(40:1) 6.94 PC(39:6)_feature6 C47 H82 N O8 P 820.5797666 819.5725 PC(39:6)_lp_f 5.45 PC(39:6)_feature5 C47 H82 N O8 P 820.5830066 819.5757 PC(39:6)_lp_e 4.14 PC(39:6)_feature2 C47 H82 N O8 P 820.5830566 819.5758 PC(39:6)_lp_b 4.38 PC(39:6)_feature7 C47 H82 N O8 P 820.5842566 819.577 PC(39:6)_lp_g 5.48 PC(39:6)_feature4 C47 H82 N O8 P 820.5830066 819.5757 PC(39:6)_lp_d 4.89 PC(39:6)_feature3 C47 H82 N O8 P 820.5830266 819.5758 PC(39:6)_lp_c 4.53 PC(39:5)_feature5 C47 H84 N O8 P 822.5985366 821.5913 PC(39:5)_lp_e 5.07 PC(39:5)_feature3 C47 H84 N O8 P 822.5986066 821.5913 PC(39:5)_lp_c 4.76 PC(39:5)_feature6 C47 H84 N O8 P 822.5976166 821.5903 PC(39:5)_lp_f 5.62 PC(39:4)_feature5 C47 H86 N O8 P 824.6149766 823.6077 PC(39:4)_lp_e 5.66 PC(39:4)_feature4 C47 H86 N O8 P 824.6149166 823.6076 PC(39:4)_lp_d 5.47 PC(39:3)_feature1 C47 H88 N O8 P 826.5708666 825.5636 PC(39:3)_lp_a 6.03 PC(38:7)_feature2 C46 H78 N O8 P 804.5524666 803.5452 PC(38:7)_lp_b 3.56 PC(38:6)_feature1 C46 H80 N O8 P 806.5686366 805.5614 PC(38:6)_lp_a 3.83 PC(38:6)_feature2 C46 H80 N O8 P 806.5686166 805.5613 PC(38:6)_lp_b 4.13 PC(38:5)_feature4 C46 H82 N O8 P 808.5827666 807.5755 PC(38:5)_lp_d 4.51 PC(38:5)_feature3 C46 H82 N O8 P 808.5832166 807.5759 PC(38:5)_lp_c 4.37 PC(38:5)_feature2 C46 H82 N O8 P 808.5825666 807.5753 PC(38:5)_lp_b 4.08 PC(38:5)_feature5 C46 H82 N O8 P 808.5831866 807.5759 PC(38:5)_lp_e 4.64 PC(38:5)_feature1 C46 H82 N O8 P 808.5835566 807.5763 PC(38:5)_lp_a 3.72 PC(38:4)_feature3 C46 H84 N O8 P 810.5972166 809.5899 PC(38:4)_lp_c 4.87 PC(38:4)_feature4 C46 H84 N O8 P 810.6003766 809.5931 PC(38:4)_lp_d 5.18 PC(38:4)_feature2 C46 H84 N O8 P 810.5986966 809.5914 PC(38:4)_lp_b 4.59 PC(38:3)_feature3 C46 H86 N O8 P 812.6160366 811.6088 PC(38:3)_lp_c 5.56 PC(38:3)_feature2 C46 H86 N O8 P 812.6160466 811.6088 PC(38:3)_lp_b 5.33 PC(38:2)_feature6 C46 H88 N O8 P 814.6314266 813.6242 PC(38:2)_lp_f 6.14 PC(38:1)_feature1 C46 H90 N O8 P 816.6459566 815.6387 PC(38:1) 6.63 PC(38:0)_feature1 C46 H92 N O8 P 818.6600166 817.6527 PC(38:0) 6.95 PC(37:6)_feature5 C45 H78 N O8 P 792.5532866 791.546 PC(37:6)_lp_d 4.69 PC(37:6)_feature1 C45 H78 N O8 P 792.5525966 791.5453 PC(37:6)_lp_a 3.8 PC(37:6)_feature6 C45 H78 N O8 P 792.5532366 791.546 PC(37:6)_lp_e 4.77 PC(37:4)_feature2 C45 H82 N O8 P 796.5842766 795.577 PC(37:4)_lp_b 4.59 PC(37:4)_feature3 C45 H82 N O8 P 796.5842366 795.577 PC(37:4)_lp_c 4.74 PC(37:3)_feature3 C45 H84 N O8 P 798.5978966 797.5906 PC(37:3)_lp_c 5.49 PC(37:3)_feature2 C45 H84 N O8 P 798.5991566 797.5919 PC(37:3)_lp_b 5.09 PC(37:3)_feature1 C45 H84 N O8 P 798.5992966 797.592 PC(37:3)_lp_a 4.88 PC(37:2)_feature1 C45 H86 N O8 P 800.6158666 799.6086 PC(37:2)_lp_a 5.61 PC(37:2)_feature2 C45 H86 N O8 P 800.6158466 799.6086 PC(37:2)_lp_b 5.81 PC(37:1)_feature2 C45 H88 N O8 P 802.6314666 801.6242 PC(37:1)_lp_b 6.29 PC(37:1)_feature3 C45 H88 N O8 P 802.6313866 801.6241 PC(37:1)_lp_c 6.44 PC(36:6)_feature2 C44 H76 N O8 P 778.5345566 777.5273 PC(36:6)_lp_b 3.5 PC(36:6)_feature1 C44 H76 N O8 P 778.5338966 777.5266 PC(36:6)_lp_a 3.35 PC(36:5)_feature4 C44 H78 N O8 P 780.5527466 779.5455 PC(36:5)_lp_d 4.15 PC(36:5)_feature5 C44 H78 N O8 P 780.5595566 779.5523 PC(36:5)_lp_e 5.09 PC(36:5)_feature1 C44 H78 N O8 P 780.5527166 779.5454 PC(36:5)_lp_a 3.53 PC(36:5)_feature3 C44 H78 N O8 P 780.5526966 779.5454 PC(36:5)_lp_c 3.87 PC(36:5)_feature2 C44 H78 N O8 P 780.5526866 779.5454 PC(36:5)_lp_b 3.71 PC(36:4)_feature3 C44 H80 N O8 P 782.5684866 781.5612 PC(36:4)_lp_c 4.32 PC(36:4)_feature2 C44 H80 N O8 P 782.5684466 781.5612 PC(36:4)_lp_b 3.94 PC(36:3)_feature5 C44 H82 N O8 P 784.5830866 783.5758 PC(36:3)_lp_e 4.88 PC(36:3)_feature2 C44 H82 N O8 P 784.5830866 783.5758 PC(36:3)_lp_b 4.5 PC(36:3)_feature1 C44 H82 N O8 P 784.5839666 783.5767 PC(36:3)_lp_a 3.87 PC(36:2)_feature2 C44 H84 N O8 P 786.6006866 785.5934 PC(36:2)_lp_b 5.12 PC(36:2)_feature3 C44 H84 N O8 P 786.6005866 785.5933 PC(36:2)_lp_c 5.33 PC(36:1)_feature1 C44 H86 N O8 P 788.6162566 787.609 PC(36:1)_lp_a 6.03 PC(36:0)_feature3 C44 H88 N O8 P 790.6312266 789.624 PC(36:0)_lp_c 6.64 PC(35:4)_feature4 C43 H78 N O8 P 768.5539366 767.5467 PC(35:4)_lp_d 4.83 PC(35:4)_feature2 C43 H78 N O8 P 768.5532166 767.5459 PC(35:4)_lp_b 3.96 PC(35:3)_feature1 C43 H80 N O8 P 770.5679066 769.5606 PC(35:3)_lp_a 4.16 PC(35:2)_feature2 C43 H82 N O8 P 772.5846366 771.5774 PC(35:2)_lp_b 4.87 PC(35:1)_feature1 C43 H84 N O8 P 774.5995766 773.5923 PC(35:1)_lp_a 5.56 PC(35:0)_feature3 C43 H86 N O8 P 776.6158566 775.6086 PC(35:0)_lp_c 6.38 PC(35:0)_feature2 C43 H86 N O8 P 776.6158566 775.6086 PC(35:0)_lp_b 6.22 PC(34:4)_feature5 C42 H76 N O8 P 754.5365566 753.5293 PC(34:4)_lp_e 4.81 PC(34:4)_feature2 C42 H76 N O8 P 754.5374266 753.5302 PC(34:4)_lp_b 3.64 PC(34:3)_feature3 C42 H78 N O8 P 756.5529466 755.5457 PC(34:3)_lp_c 4.07 PC(34:3)_feature5 C42 H78 N O8 P 756.5549466 755.5477 PC(34:3)_lp_e 4.59 PC(34:2)_feature1 C42 H80 N O8 P 758.5688066 757.5615 PC(34:2)_lp_a 4.45 PC(34:1)_feature2 C42 H82 N O8 P 760.5847366 759.5775 PC(34:1)_lp_b 5.09 PC(34:0)_feature4 C42 H84 N O8 P 762.6004766 761.5932 PC(34:0)_lp_c 5.95 PC(33:3)_feature3 C41 H76 N O8 P 742.5367366 741.5295 PC(33:3)_lp_c 3.72 PC(33:1)_feature1 C41 H80 N O8 P 746.5685566 745.5613 PC(33:1)_lp_a 4.67 PC(33:0)_feature3 C41 H82 N O8 P 748.5844466 747.5772 PC(33:0)_lp_c 5.5 PC(33:0)_feature2 C41 H82 N O8 P 748.5845266 747.5773 PC(33:0)_lp_b 5.29 PC(32:3)_feature1 C40 H74 N O8 P 728.5215866 727.5143 PC(32:3)_lp_a 3.44 PC(32:3)_feature2 C40 H74 N O8 P 728.5215666 727.5143 PC(32:3)_lp_b 3.65 PC(32:2)_feature1 C40 H76 N O8 P 730.5372266 729.53 PC(32:2)_lp_a 3.73 PC(32:1)_feature3 C40 H78 N O8 P 732.5545966 731.5473 PC(32:1)_lp_c 4.81 PC(32:1)_feature1 C40 H78 N O8 P 732.5525566 731.5453 PC(32:1)_lp_a 4.28 PC(32:0)_feature1 C40 H80 N O8 P 734.5692166 733.5619 PC(32:0)_lp_a 4.8 PC(32:0)_feature2 C40 H80 N O8 P 734.5686466 733.5614 PC(32:0)_lp_b 5.01 PC(31:1)_feature1 C39 H76 N O8 P 718.5368766 717.5296 PC(31:1)_lp_a 3.93 PC(31:0)_feature1 C39 H78 N O8 P 720.5527266 719.5455 PC(31:0)_lp_a 4.44 PC(31:0)_feature2 C39 H78 N O8 P 720.5526066 719.5453 PC(31:0)_lp_b 4.59 PC(30:1)_feature1 C38 H74 N O8 P 704.5215766 703.5143 PC(30:1)_lp_a 3.62 PC(30:0)_feature1 C38 H76 N O8 P 706.5362566 705.529 PC(30:0)_lp_a 4.2 PA(34:1)_M+NH3_feature1 C37 H74 N O8 P 692.5211366 691.5139 PA(34:1)_lp_a 5.07 octadecanamine_feature1 C18 H39 N 270.3148566 269.3076 Octadecylamine 2.27 LPE(18:1)>LPE(18:1/0:0)_and_LPE(0:0/18:1)_feature1and2 C23 H46 N O7 P 480.3077666 479.3005 LPE(18:1)_lp_ab 2.12 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 C23 H48 N O7 P 482.3232166 481.3159 LPE(18:0)_lp_ab 2.38 LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_feature1and2 C21 H44 N O7 P 454.2918566 453.2846 LPE(16:0)_lp_ab 2.06 LPC(24:0)>LPC(24:0/0:0)_feature2 C32 H66 N O7 P 608.4639066 607.4566 LPC(24:0/0:0)_lp_b 3.73 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 C30 H50 N O7 P 568.3385566 567.3313 LPC(22:6)_lp_ab 1.64 LPC(22:0)>LPC(22:0/0:0)_and_LPC(0:0/22:0)_feature1and2 C30 H62 N O7 P 580.4328766 579.4256 LPC(22:0)_lp_ab 3.13 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 C28 H50 N O7 P 544.3387166 543.3314 LPC(20:4)_lp_ab 1.69 LPC(20:1)>LPC(20:1/0:0)_and_LPC(0:0/20:1)_feature1and2 C28 H56 N O7 P 550.3854966 549.3782 LPC(20:1)_lp_ab 2.36 LPC(20:0)>LPC(20:0/0:0)_and_LPC(0:0/20:0)_feature1and2 C28 H58 N O7 P 552.4013866 551.3941 LPC(20:0)_lp_ab 2.68 LPC(19:0)>LPC(19:0/0:0)_and_LPC(0:0/19:0)_feature1and2 C27 H56 N O7 P 538.3860366 537.3788 LPC(19:0)_lp_ab 2.43 LPC(19:0)_feature3 C27 H56 N O7 P 538.3859466 537.3787 LPC(19:0)_lp_c 2.48 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 C26 H50 N O7 P 520.3386466 519.3314 LPC(18:2)_lp_ab 1.72 LPC(18:1)>LPC(18:1/0:0)_feature2 C26 H52 N O7 P 522.3548466 521.3476 LPC(18:1/0:0)_lp_b 2.07 LPC(18:0)>LPC(18:0/0:0)_feature2 C26 H54 N O7 P 524.3703666 523.3631 LPC(18:0/0:0)_lp_b 2.34 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 C25 H52 N O7 P 510.3548866 509.3476 LPC(17:0)_lp_ab 2.2 LPC(16:1)>LPC(16:1/0:0)_and_LPC(0:0/16:1)_feature1and2 C24 H48 N O7 P 472.3409866 471.3337 LPC(16:1)_lp_ab 1.66 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature1and2 C24 H50 N O7 P 496.3389966 495.3317 LPC(16:0)_lp_ab 2.02 LPC(15:0)>LPC(15:0/0:0)_and_LPC(0:0/15:0)_feature1and2 C23 H48 N O7 P 482.3226966 481.3154 LPC(15:0)_lp_ab 1.79 HexCer(d42:1)>HexCer(d18:1/24:0)_feature2 C48 H93 N O8 812.6961966 811.6889 HexCer(d18:1/24:0)_lp_b 7.03 HexCer(d40:1)>HexCer(d18:1/22:0)_feature2 C46 H89 N O8 784.6653566 783.6581 HexCer(d18:1_22:0)_lp_b 6.76 HexCer(d34:1)>HexCer(d18:1/16:0)_feature1 C40 H77 N O8 700.5705966 699.5633 HexCer(d18:1/16:0)_lp_a 4.45 glycocholate_feature1 C26 H43 N O6 466.3156266 465.3084 Glycocholic Acid 0.94 erucamide_feature1 C44 H86 N2 O2 675.6752166 674.6679 13-Docosenamide 3.16 EA(22:0)_feature1 C24 H49 N O2 384.3826466 383.3754 Behenoyl-EA 3.68 EA(18:0)_feature1 C20 H41 N O2 328.3203266 327.3131 Stearoyl-EA 2.62 EA(17:0)_feature1 C19 H39 N O2 314.3046066 313.2973 EA(17:0) 2.44 EA(15:0)_feature1 C17 H35 N O2 286.2733966 285.2661 EA(15:0) 2.12 DG(40:7)>DG(18:1_22:6_0:0)_M+NH3_feature3 C43 H73 N O5 684.5554566 683.5482 DG(18:1_22:6)_lp_c 5.68 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 C43 H72 O5 686.5712266 685.564 DG(40:6)_lp_f 6.53 DG(40:4)>DG(18:0_22:4_0:0)_M+NH3_feature3 C43 H76 O5 690.6016466 689.5944 DG(18:0_22:4)_lp_c 6.87 DG(38:6)>DG(18:2_20:4_0:0)_M+NH3_feature1 C41 H71 N O5 658.5394866 657.5322 DG(18:2_20:4)_lp_a 5.23 DG(38:5)>DG(18:1_20:4_0:0)_M+NH3_feature2 C41 H70 O5 643.5286666 642.5214 DG(18:1_20:4)_lp_b 5.97 DG(38:4)>DG(18:0_20:4_0:0)_M+NH3_feature6 C41 H75 N O5 645.5441566 644.5369 DG(18:0_20:4)_lp_f 6.66 DG(38:3)>DG(18:2_20:1_0:0)_M+NH3_feature2 C41 H77 N O5 664.5864466 663.5792 DG(18:2_20:1)_lp_b 6.72 DG(36:5)>DG(18:2_18:3_0:0)_M+NH3_feature1 C39 H66 O5 615.4974066 614.4901 DG(18:2_18:3_0:0)_lp_a 4.82 DG(36:4)>DG18:2_18:2_0:0)_feature1 C39 H68 O5 617.5131066 616.5058 DG(36:4)_lp_a 5.44 DG(36:4)>DG(16:0_20:4_0:0)_feature2 C39 H68 O5 617.5131566 616.5059 DG(16:0_20:4)_lp_b 5.95 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 C39 H73 N O5 636.5556666 635.5484 DG(18:1_18:2)_lp_c 6.19 DG(36:2)>DG(18:1_18:1_0:0)_M+NH3_feature3 C39 H72 O5 621.5441766 620.5369 DG(18:1_18:1)_lp_c 6.67 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature4 C39 H75 N O5 638.5708666 637.5636 DG(18:0_18:2)_lp_d 6.74 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature2 C39 H77 N O5 640.5862066 639.5789 DG(18:0_18:1)_lp_b 6.97 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature1 C39 H77 N O5 640.5862166 639.5789 DG(18:0_18:1)_lp_a 6.65 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature4 C37 H71 N O5 593.5136066 592.5063 DG(16:0_18:2)_lp_d 6.16 DG(34:1)>DG(16:0_18:1_0:0)_M+NH3_feature2 C37 H73 N O5 595.5285466 594.5213 DG(16:0_18:1)_lp_b 6.65 DG(34:0)>DG(16:0_18:0_0:0)_M+NH3_feature2 C37 H75 N O5 597.5440366 596.5368 DG(16:0_18:0)_lp_b 6.96 DG(32:1)>DG(16:0_16:1_0:0)_M+NH3_feature1 C35 H69 N O5 584.5240766 583.5168 DG(16:0_16:1) 5.97 DG(32:0)>DG(16:0_16:0_0:0)_feature2 C35 H68 O5 569.5128766 568.5056 DG(16:0_16:0)_lp_b 6.64 Coenzyme Q9_feature1 C54 H82 O4 795.6278866 794.6206 Coenzyme Q9 7.5 coenzyme(Q8)_feature1 C49 H74 O4 727.5648966 726.5576 Coenzyme(Q8) 7.03 Cer(t42:1)>Cer(t18:0/24:1)_feature1 C42 H83 N O4 666.6387166 665.6314 Cer(t18:0/24:1) 6.87 Cer(d44:3)>Cer(d18:2/26:1)_feature1 C44 H83 N O3 674.6440566 673.6368 Cer(d18:2/26:1) 7.05 Cer(d44:2)>Cer(d18:1/26:1)_feature1 C44 H85 N O3 676.6593066 675.652 Cer(d18:1/26:1)_lp_a 7.3 Cer(d44:1)>Cer(d18:1/26:0)_feature1 C44 H87 N O3 678.6750266 677.6678 Cer(d18:1/26:0) 7.69 Cer(d43:2)>Cer(d18:1/25:1)_feature1and2 C43 H83 N O3 662.6434666 661.6362 Cer(d18:1/25:1)_lp_ab 7.17 Cer(d43:1)>Cer(d18:1/25:0)_feature1 C43 H85 N O3 664.6591966 663.6519 Cer(d18:1/25:0)_lp_a 7.45 Cer(d43:1)>Cer(d18:1/25:0)_feature2 C43 H85 N O3 664.6592266 663.652 Cer(d18:1/25:0)_lp_b 7.51 Cer(d42:3)_feature2 C42 H79 N O3 646.6124066 645.6051 Cer(d42:3)_lp_b 6.75 Cer(d42:2)>Cer(d18:2/24:0)_feature4 C42 H81 N O3 648.6279766 647.6207 Cer(d18:2/24:0)_lp_d 7.09 Cer(d42:2)>Cer(d18:1/24:1)_feature3 C42 H81 N O3 648.6278366 647.6206 Cer(d18:1/24:1)_lp_c 7 Cer(d42:1)>Cer(d18:1/24:0)_feature3 C42 H83 N O3 650.6434966 649.6362 Cer(d18:1/24:0)_lp_c 7.34 Cer(d42:1)>Cer(d18:0/24:1)_feature1 C42 H83 N O3 650.6434866 649.6362 Cer(d18:0/24:1)_lp_a 7.11 Cer(d42:0)>Cer(d18:0/24:0)_feature1 C42 H85 N O3 652.6592566 651.652 Cer(d18:0/24:0) 7.47 Cer(d41:2)>Cer(d18:2/23:0)_feature2 C41 H79 N O3 634.6121766 633.6049 Cer(d18:2/23:0)_lp_b 6.94 Cer(d41:1)>Cer(d18:1/23:0)_feature1 C41 H81 N O3 636.6280566 635.6208 Cer(d18:1/23:0) 7.18 Cer(d41:0)>Cer(d18:0/23:0)_feature1 C41 H83 N O3 638.6437266 637.6365 Cer(d18:0/23:0) 7.3 Cer(d40:2)>Cer(d18:2/22:0)_feature2 C40 H77 N O3 620.5968666 619.5896 Cer(d18:2/22:0)_lp_b 6.79 Cer(d40:2)>Cer(d18:1/22:1)_feature1 C40 H77 N O3 620.5967666 619.5895 Cer(d18:1/22:1)_lp_a 6.71 Cer(d40:1)>Cer(d18:1/22:0)_feature2 C40 H79 N O3 622.6123366 621.6051 Cer(d18:1/22:0)_lp_b 7.03 Cer(d40:0)>Cer(d18:0/22:0)_feature1 C40 H81 N O3 624.6280066 623.6207 Cer(d18:0/22:0) 7.15 Cer(d39:1)>Cer(d18:1/21:0)_feature1 C39 H77 N O3 608.5969966 607.5897 Cer(d18:1/21:0) 6.89 Cer(d36:1)>Cer(d18:1/18:0)_feature1 C36 H71 N O3 566.5501466 565.5429 Cer(d18:1/18:0) 6.14 Cer(d34:1)>Cer(d18:1/16:0)_feature1 C34 H67 N O3 538.5183366 537.5111 Cer(d18:1/16:0) 5.14 Cer(d34:0)>Cer(d18:0/16:0)_feature1 C34 H69 N O3 540.5341866 539.5269 Cer(d18:0/16:0) 5.5 CE(22:6)_M+NH3_feature2 C49 H79 N O2 714.6176266 713.6104 CE(22:6)_lp_b 9.07 CE(20:5)_M+NH3_feature1 C47 H77 N O2 688.6017166 687.5944 CE(20:5) 8.93 CE(20:4)_M+NH3_feature1 C47 H79 N O2 673.5913366 672.5841 CE(20:4)_lp_a 9.31 CE(18:2)_feature1 C45 H76 O2 649.5911866 648.5839 CE(18:2) 9.5 CE(18:1)_feature1 C45 H78 O2 651.6069566 650.5997 CE(18:1) 9.7 carnitine_feature1 C7 H15 N O3 162.1120666 161.1048 Carnitine 0.76 Car(8:0)_feature1 C15 H29 N O4 288.2160966 287.2088 CAR(8:0) 0.82 Car(6:0)_feature1 C13 H25 N O4 260.1848866 259.1776 CAR(6:0) 0.78 Car(5:0)_feature1 C12 H23 N O4 246.1693666 245.1621 CAR(5:0) 0.76 Car(4:0-OH)_feature1 C11 H21 N O5 248.1486166 247.1413 CAR(4:0(OH)) 0.73 Car(4:0)_feature1 C11 H21 N O4 232.1537366 231.1465 CAR(4:0) 0.76 Car(3:0)_feature1 C10 H19 N O4 218.1381466 217.1309 CAR(3:0) 0.75 Car(26:1)_feature1 C33 H63 N O4 538.4823966 537.4751 CAR(26:1) 3.38 Car(24:1)_feature1 C31 H59 N O4 510.4510266 509.4438 CAR(24:1) 2.89 Car(24:0)_feature1 C31 H61 N O4 512.4667766 511.4595 CAR(24:0) 3.43 Car(21:2)_feature1 C28 H51 N O4 466.3881766 465.3809 CAR(21:2) 2.36 Car(20:4)_feature1 C27 H45 N O4 448.3409566 447.3337 CAR(20:4) 1.7 Car(20:2)_feature1 C27 H49 N O4 452.3725166 451.3652 CAR(20:2)_lp_a 2.07 Car(20:1)_feature1 C27 H51 N O4 454.3879766 453.3807 CAR(20:1) 2.27 Car(2:0)_feature1 C9 H17 N O4 204.1226366 203.1154 CAR(2:0) 0.75 Car(19:0)_feature1 C26 H51 N O4 442.3880566 441.3808 CAR(19:0) 2.34 Car(18:3)_feature1 C25 H43 N O4 422.3255166 421.3182 CAR(18:3)_lp_a 1.51 Car(18:2)_feature1 C25 H45 N O4 424.3409566 423.3337 CAR(18:2)_lp_a 1.73 Car(18:1-OH)_feature1 C25 H47 N O5 442.3516566 441.3444 CAR(18:1(OH)) 1.69 Car(18:1)_feature1 C25 H47 N O4 426.3568266 425.3496 CAR(18:1)_lp_a 2 Car(18:0-OH)_feature1 C25 H49 N O5 444.3673766 443.3601 CAR(18:0(OH)) 2 Car(18:0)_feature1 C25 H49 N O4 428.3726666 427.3654 CAR(18:0) 2.25 Car(17:1)_feature1 C24 H45 N O4 412.3410166 411.3337 CAR(17:1) 1.83 Car(17:0)_feature2 C24 H47 N O4 414.3569166 413.3496 CAR(17:0)_lp_b 2.09 Car(16:2)_feature1 C23 H41 N O4 396.3101066 395.3028 CAR(16:2)_lp_a 1.35 Car(16:1)_feature1 C23 H43 N O4 398.3255566 397.3183 CAR(16:1)_lp_a 1.62 Car(16:0)_feature1 C23 H45 N O4 400.3411766 399.3339 CAR(16:0) 1.93 Car(15:0)_feature2 C22 H43 N O4 386.3254266 385.3182 CAR(15:0)_lp_b 1.66 Car(14:2)_feature1 C21 H37 N O4 368.2788066 367.2715 CAR(14:2) 1.04 Car(14:1)_feature1 C21 H39 N O4 370.2945966 369.2873 CAR(14:1) 1.24 Car(14:0)_feature1 C21 H41 N O4 372.3099966 371.3027 CAR(14:0) 1.49 Car(13:1)_feature1 C20 H37 N O4 356.2787366 355.2715 CAR(13:1) 1.03 Car(13:0)_feature1 C20 H39 N O4 358.2945066 357.2872 CAR(13:0) 1.22 Car(12:1)_feature1 C19 H35 N O4 342.2632566 341.256 CAR(12:1) 0.97 Car(12:0)_feature2 C19 H37 N O4 344.2787666 343.2715 CAR(12:0)_lp_b 1.13 Car(12:0)_feature1 C19 H37 N O4 344.2787666 343.2715 CAR(12:0)_lp_a 1.04 Car(10:0)_feature1 C17 H33 N O4 316.2474766 315.2402 CAR(10:0) 0.9 3-(1-pyrazolyl)-alanine_feature1 C6 H9 N3 O2 156.0764066 155.0691 3-(1-pyrazolyl)-alanine 1.06 METABOLITES_END #END