#METABOLOMICS WORKBENCH efahy_20230425_000074 DATATRACK_ID:3971 STUDY_ID:ST002652 ANALYSIS_ID:AN004324 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 Heart 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_Heart 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SUBJECT_SAMPLE_FACTORS 1CA4210C-3CE6-4A5A-996B-673EBDEB3B81 90281015808 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=90281015808.raw SUBJECT_SAMPLE_FACTORS 0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E 90251015808 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female raw_file=90251015808.raw SUBJECT_SAMPLE_FACTORS CFE06932-9314-4BCC-B2D9-73883D5FCDFB 90223015808 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90223015808.raw SUBJECT_SAMPLE_FACTORS - QC05 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC05.raw SUBJECT_SAMPLE_FACTORS B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E 90576015808 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90576015808.raw SUBJECT_SAMPLE_FACTORS DC8B35E8-4AA8-4829-8569-F223D069620C 90578015808 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90578015808.raw SUBJECT_SAMPLE_FACTORS 0BD282C7-7832-4581-9089-08A32D557034 90218015808 Group:Training | 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Timepoint:8 weeks of training or control time | Sex:Male raw_file=90232015808.raw SUBJECT_SAMPLE_FACTORS 07AF7369-F082-4CA7-99D5-D973F4A162C9 90252015808 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female raw_file=90252015808.raw SUBJECT_SAMPLE_FACTORS - QC06 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC06.raw SUBJECT_SAMPLE_FACTORS 22D700B9-EDD0-4BC8-8155-EB9C39417F81 90280015808 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=90280015808.raw SUBJECT_SAMPLE_FACTORS BC49E4EF-E2FE-4269-BAF0-461F768BD95D 90217015808 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90217015808.raw SUBJECT_SAMPLE_FACTORS 0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6 90426015808 Group:Training | Timepoint:1 week of training or control time | Sex:Male raw_file=90426015808.raw SUBJECT_SAMPLE_FACTORS 955498F4-70A0-4D50-A2BA-619A8FED8FEF 90222015808 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90222015808.raw SUBJECT_SAMPLE_FACTORS D350D633-8D95-4783-99F2-BB8294D2EC32 90423015808 Group:Training | Timepoint:1 week of training or control time | Sex:Male raw_file=90423015808.raw SUBJECT_SAMPLE_FACTORS 68083256-8DAA-4185-B446-0CAF600474B5 90567015808 Group:Training | Timepoint:1 week of training or control time | Sex:Female raw_file=90567015808.raw SUBJECT_SAMPLE_FACTORS EA5C8932-9325-4DA5-96BB-50CD49CEDD10 90560015808 Group:Training | Timepoint:1 week of training or control time | Sex:Female raw_file=90560015808.raw SUBJECT_SAMPLE_FACTORS CDCFA3F1-07ED-4737-A36D-15EFEC325AA5 90450015808 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=90450015808.raw SUBJECT_SAMPLE_FACTORS AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504 90444015808 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=90444015808.raw SUBJECT_SAMPLE_FACTORS FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6 90420015808 Group:Training | Timepoint:4 weeks of training | Sex:Female raw_file=90420015808.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_Heart02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Heart02.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Heart02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Heart02.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 Heart #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 ST002652_AN004324_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 90217015808 90218015808 90222015808 90223015808 90225015808 90227015808 90229015808 90232015808 90237015808 90239015808 90245015808 90248015808 90251015808 90252015808 90254015808 90258015808 90259015808 90265015808 90266015808 90267015808 90280015808 90281015808 90283015808 90289015808 90292015808 90406015808 90410015808 90412015808 90416015808 90420015808 90421015808 90422015808 90423015808 90426015808 90430015808 90439015808 90441015808 90444015808 90449015808 90450015808 90559015808 90560015808 90564015808 90567015808 90571015808 90576015808 90578015808 90581015808 90585015808 90587015808 IPE_Reference_Heart IPE_Reference_Heart02 SED_Reference_Heart SED_Reference_Heart02 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 4423614.548 4022729.087 4070858.791 4414905.444 4556864.685 4539488.485 4355691.663 4352333.935 4368523.665 4527696.074 4249711.22 4432511.077 4098069.334 4401542.871 4264734.933 4689081.516 3965395.75 4303097.005 4211353.767 4563769.817 4240451.768 4248286.123 4904057.571 4376456.337 4756573.316 3990996.084 3917439.185 4422408.997 4456498.328 4232345.643 4639460.052 4453315.068 4230221.236 4507785.596 4490771.169 4230731.786 4587183.42 4271732.778 4452630.186 4532209.944 4695999.695 4287229.07 4275387.252 4324589.221 4736169.974 4553244.178 4572460.724 4309425.106 4391311.277 4402503.458 4306883.773 4178628.011 4045466.167 3595531.93 4581873.673 4455139.568 4481416.654 4245624.255 4356356.463 4423654.663 4190552.886 4177600.981 4592413.575 315.1917084 409.9720251 414.7736942 296.7872802 406.9737433 309.4046835 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd] 1982325.186 2259883.675 2186210.065 2340961.139 2268230.287 2202709.542 2139941.158 2115789.625 1822345.427 2110232.003 1987265.618 2114175.001 2157944.672 2163544.622 2202698.508 2168576.715 2209886.512 2198593.437 2186120.095 2150567.82 2007666.224 2018255.486 2235571.6 2162052.317 2156887.587 2211496 2340957.169 2136616.87 2213080.005 2107584.694 2158575.245 2044109.366 2063098.674 1969728.293 2179918.528 2157398.783 1926169.654 2059710.751 2077250.551 2057479.213 2294478.606 2101689.977 2048451.94 2182363.175 2103768.286 2165025.161 2191520.964 2200033.273 2006341.094 2147843.748 2160061.579 2201500.759 2232892.212 2221810.728 2059973.077 2093302.589 2186586.662 2265413.339 2119577.668 2035017.781 2112497.946 1965921.108 2024720.115 304.8705508 311.7259527 306.247993 292.6062382 332.4602279 332.2048492 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_[istd] 51500.2532 64856.61452 51139.33478 42949.08173 50195.70528 54803.24811 60273.44151 48631.49539 54886.18253 80600.75315 38543.64658 53564.17417 62394.58199 49177.01631 58221.92503 53715.1686 49487.40488 52341.44952 56020.42246 73570.28859 60278.45674 49684.01251 61494.82966 52612.13145 53445.12124 39354.45962 46693.2024 72929.71777 59022.37084 58644.77554 67534.24389 45091.52097 41522.4361 44885.92303 55061.47724 67446.56445 77941.05559 55315.02929 49702.66663 66322.78607 67129.98656 48126.06065 67413.14837 60585.16754 57226.71438 68824.64263 59833.02855 44938.50975 74870.59255 62306.63647 36681.76376 32510.66129 27596.10394 28448.83319 54536.43594 56340.22541 66026.79043 64926.30443 52727.46275 56254.16402 48819.55644 48925.43234 42975.87371 215.4962371 894.6506877 826.8200901 209.599226 925.9938379 949.8892685 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] 281607.4201 315016.6435 216137.8978 318779.1647 330565.4348 296704.4955 279276.4853 298608.6365 278697.0691 271459.947 301268.3704 258820.9851 327527.239 307629.6538 291176.5411 250466.6942 285586.4257 300828.3507 323425.8115 263100.465 303769.6622 283961.1543 317480.8254 317147.5061 294870.4482 291174.637 301721.3931 268866.9795 303094.4563 303794.0193 283542.8195 280968.6752 302408.2539 291301.7637 311421.7039 283138.051 296199.2148 286152.8246 301507.1927 282839.0308 306437.3938 298285.6978 283094.4126 334217.7932 300770.6895 295599.2239 294293.8962 278164.8395 317613.8393 284713.628 314855.1932 298501.3526 295424.0343 278381.9174 303028.559 304639.5012 294376.0821 316785.5877 300936.591 290461.0534 288412.2847 277269.8346 299807.3675 371.1200496 356.379594 362.4804215 345.102393 374.4033599 390.1325909 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] 189782.6683 193379.7808 187479.3123 200441.5422 192949.9373 175976.6063 182630.6755 184794.2393 170525.7875 184263.2733 190636.8328 188798.7865 159699.4929 185632.0459 195075.0495 189655.2193 184481.4683 196343.5779 182277.686 195012.2829 179388.5137 189772.0732 189645.3746 183732.0144 185010.5881 195992.2713 180950.7638 207743.3943 193381.7776 190084.4019 187130.5949 187406.8604 192099.0934 188006.959 181666.381 174394.1603 182376.0287 184973.0608 192568.321 175290.5084 192084.7664 195499.3151 185649.2234 196871.4068 191455.455 206392.7565 202005.6742 216788.0746 205155.2648 188299.1017 168630.6966 181083.2228 184814.1202 173053.6015 193100.3818 185862.7478 183165.4858 187970.3416 184908.1085 192100.0817 185770.824 193555.4305 195132.6772 447.8377711 465.8867709 466.7572165 460.0266835 456.1239004 521.5063139 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] 122197.6053 126067.6704 125744.5948 121570.3257 113738.5245 120038.2984 126098.7214 118854.1229 119239.3303 115559.1814 115015.3719 114241.8201 115593.9917 115942.2086 107738.0614 114019.6497 113909.2103 112562.6631 119490.8121 110632.971 112530.9524 114786.2238 116715.2111 112378.4289 112412.9431 114823.6831 114186.7033 117845.2686 123206.4886 117804.9871 117802.2344 114147.6305 117297.9542 116800.3562 117015.775 112155.9541 117860.0296 120903.9204 107114.3646 118417.4131 118824.0886 113261.7341 111302.361 99505.00627 114604.5355 120509.8861 108497.8323 114653.0285 119316.4376 115447.1889 124478.1935 128992.8941 120055.5746 124088.1087 107068.8726 106539.8855 112697.687 111895.6701 114401.5136 119162.059 119738.0142 116093.7191 114979.4329 332.5076144 3088.046553 2651.329639 367.3079558 1480.999065 3229.21593 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd] 39696885.89 39561638.72 36518432.24 39599722.77 34766676.8 35558967.71 40493686.86 34972159.63 35035731.8 36518436.91 37161523.69 35587228.63 35023477.27 38607552.67 37372512.78 35350317.94 34719895.16 34550260.12 33469235.53 36657828.7 34756960.13 38432483.45 35186750.97 40006792.59 36130060.53 32531634.09 34588372.02 33339277.75 34668004.24 36123522.51 37193925.21 36272699.91 34335447.43 34521084.06 35127237.8 35365090.02 36219725.38 36586091.05 34841524.16 38399631.39 34401518.04 34391085.96 38338955.53 32912104.71 33055790.76 38385223.13 37070278.77 38287901.39 31492642.54 34565015.51 40559654.13 35216603.41 34400889.6 38206138.18 36079517.12 38100200.94 34290883.38 36712991.34 35005416.05 33247320.12 36081561.81 34438466.11 32783573.58 649.0647692 851.2743437 866.3773891 712.941337 1273.521051 2298.036109 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] 1706217.044 1770360.155 1716273.896 1726011.045 1777584.096 1784194.851 1765692.64 1766071.687 1676262.691 1612383.677 1663749.293 1613916.672 1621856.932 1580850.449 1604234.076 1624113.728 1669765.196 1628045.04 1641880.706 1645200.379 1641524.035 1739514.981 1604234.601 1595348.385 1650624.296 1609597.207 1606572.756 1649388.709 1708520.035 1639168.973 1682746.766 1640538.632 1599139.51 1644501.356 1698163.524 1508354.761 1642652.58 1729335.967 1586199.269 1727951.748 1687139.067 1516681.267 1518493.039 1449961.192 1674842.548 1758229.434 1541463.188 1649863.004 1715377.351 1555291.003 1690219.145 1755290.29 1676974.966 1690906.936 1566680.97 1605186.749 1616748.07 1654178.464 1597642.244 1677535.327 1704176.326 1725208.12 1661496.093 333.9956564 1899.640632 3690.735772 330.8548886 2902.619128 1458.9761 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_[istd] 161771.9443 166712.9089 166682.734 183230.1441 195815.6829 180422.3185 169193.158 168321.8186 166192.9165 180256.2906 185854.3461 190856.0457 166232.1714 159674.1584 174556.6921 166902.2609 170674.5294 179572.499 172156.4016 174993.5434 171265.5032 176387.1853 199447.9902 169273.0112 190968.4722 173795.4641 178763.2597 177817.8544 178052.1635 165428.636 187813.924 177115.957 168986.8223 160672.4301 176395.448 163225.1302 171652.6443 162921.621 165610.2167 166547.1481 170947.2443 170232.7793 169924.9147 171342.3914 180589.0999 178171.4136 177962.413 180027.5606 186949.4083 180899.3441 173474.3537 175257.2394 181706.9071 168293.5383 176750.6358 175978.7424 192812.0596 177616.2156 176924.7006 166731.5612 180303.0289 172154.6568 167690.4627 230.3722734 297.3176463 299.8792907 223.6069564 373.5171609 301.2736737 GTInternalStandard_CE(18:1(9z,d7))_[istd] 257254.5896 255750.5566 243043.0345 256683.4713 231685.1405 268457.7416 228080.3361 271750.4754 227880.2378 219139.1161 236577.831 213850.0296 233220.6092 242893.532 257463.6935 219439.594 243266.0918 239961.6728 211769.8614 251712.3964 246705.621 253803.5137 236920.2949 203454.3908 244467.2886 250795.8134 242303.21 246482.6195 231178.509 231095.2386 230944.4809 215587.9416 183568.6077 190738.2662 251252.0109 238293.3186 231596.8994 249375.9827 199425.6267 250751.5771 230321.1018 244872.2953 238736.8569 214166.7117 256703.7213 241271.0911 226245.5441 229240.4138 240060.6482 190800.0682 247560.2171 176036.8163 208350.026 227244.0563 251931.0003 254360.0097 242098.876 232462.7905 254984.7199 240677.9793 221592.0477 231788.8668 215014.9452 1230.483974 1262.575096 5193.469336 1185.863894 4729.307129 4971.745463 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_[istd] 34778.62296 51048.35734 46810.82357 54153.27016 45574.89439 48849.08781 37796.00367 33673.28736 47314.7178 55433.95739 38138.75692 40083.43395 64240.22502 35978.84532 36145.15153 52238.07795 35604.35045 42086.41824 47859.0771 45252.46053 53048.03533 44298.75698 41616.25479 39169.97263 38473.18877 41340.51496 49628.39724 53664.69067 42156.46874 39314.20072 51178.88401 47079.98133 42927.64887 38126.67519 36516.27151 37008.28669 47305.8172 38412.5342 34550.79808 40958.14357 45787.03547 33071.06964 37067.58896 38569.54818 43472.2041 42941.09291 37119.93418 41008.65608 42333.66451 45772.70743 34869.92551 44915.17383 31935.5475 35236.88317 40238.97718 46040.33738 45843.27931 46574.71125 59159.6376 40576.4811 40885.65335 57028.24082 46441.40869 350.8893382 587.3880836 531.3195236 332.8988198 589.8403221 668.9983144 Ubiquinol Q9_feature1 26239926.26 25625871.76 32618039.62 32430294.43 26817940.69 36743372.02 34769192.07 29874685.12 25057537.03 27505046.73 14404100.13 20468306.11 18417357.37 15115740.94 30124734.63 27866588.1 14027355.63 24442436.27 25598502.73 31823632.01 26540198.79 28750454.55 40505827.7 25381568.35 29763505.31 25677276.26 19149582.81 31752042.85 20331906.71 15342263.65 30660932.29 27722679.01 26976196.36 26548293.07 37417976.34 27296510.74 39077938.95 35285330.6 38482688.14 38656269.22 28247562.02 17671067.08 22375613.66 21126297.46 29658884.38 30402014.48 23182905.79 20710186.6 41006366.49 25388189.95 11833012.24 10190418.42 15325340.74 11339931.91 14009131.31 26626007.98 27205907.73 25194319.94 23550166.7 25301116.27 25535468.96 23272063.02 23317383.63 241.7922682 337.9103158 407.9914882 222.4928515 431.1158378 570.5949115 Ubiquinol Q10_M+NH3_feature1 4561924.42 4098501.265 5292484.732 5555088.41 4069619.209 6154280.281 5459749.72 5000942.717 4239017.846 4902044.479 2420360.851 3035321.336 2595448.706 2465908.078 4312810.735 4200486.248 1968999.781 3620843.248 3976392.194 4146300.142 4150600.765 4235699.857 6348158.224 3856529.741 4664212.806 3243414.822 2768404.808 4766261.088 3150629.626 2140158.802 4607130.406 4239681.04 3964157.853 3744832.145 5661974.097 4093644.25 5650192.719 5518811.332 5892879.674 6014188.459 4183421.609 2895333.695 3217102.875 3234792.653 4386350.934 4277071.313 3360018.038 3048819.64 5566753.099 3771345.928 2018045.987 1681464.101 2274628.987 1799759.06 4447688.4 4040193.466 4270251.339 3931543.411 3873679.172 3985037.829 3853122.163 3697975.48 3635244.108 258.8248892 261.6928512 278.5854287 240.1896674 264.2433079 295.2110914 TG(60:4)_M+NH3_feature1 213767.4872 144262.8047 164310.2411 164713.8056 122922.4289 145409.2828 257504.4491 166505.2877 143109.027 224079.1254 139364.9791 159550.2808 103423.8345 170477.4833 189016.6828 194336.1144 116614.5525 292336.6049 143771.2435 251047.8078 276078.3946 172005.2954 374241.5957 221898.81 234939.2807 86561.2777 75779.33553 170322.5308 144316.8984 182355.2483 414585.9169 249477.6687 424784.1782 212903.8194 299255.8372 196874.1987 359991.7617 220316.7956 316319.9108 281389.9271 156183.1014 186218.3017 196033.1324 180210.2205 306371.989 177981.9446 129721.2405 148123.4269 232449.0205 168699.3952 505945.9819 370783.9184 707067.5649 515504.0291 240824.7916 238290.9344 201093.9683 232528.2582 199633.611 201389.3851 199812.5763 198844.0284 293618.4526 248.9918071 241.9056187 261.9251509 244.1482447 250.0706574 271.3984979 TG(60:3)_M+NH3_feature2 204456.356 123193.9566 155223.4252 138511.8674 106293.0204 154767.9465 222120.647 135062.7937 126739.0397 179630.1654 122779.3746 151115.2544 94141.31348 149840.214 142221.628 175952.3264 108758.3309 223495.2028 150080.351 233914.8043 231008.6949 150640.952 313424.1937 188777.2429 175164.1225 77784.14773 63593.1781 144546.2427 127997.3817 165799.6147 336861.7321 205339.5285 341729.6947 209098.6575 205112.3415 144127.6465 288138.5677 198807.202 219309.7829 235586.0851 148411.8262 194794.2187 152041.542 168125.1699 263224.5609 164374.2158 124929.406 109205.684 222546.0809 133116.6893 418286.2661 284234.2589 750631.6472 482468.026 204522.0521 208915.9406 196509.5843 162453.1463 178009.0731 193352.2352 178411.0146 179532.0744 266311.0002 463.9692439 1918.835749 484.0167855 418.9107279 450.2502002 443.1597582 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature5 432172.6747 448668.9273 410330.2483 554075.3521 819124.8452 383409.9593 664652.5105 613943.2347 527525.3418 611720.8167 569328.3828 522927.2123 418707.5454 415257.4917 739925.027 482811.2268 315580.5107 328667.1038 546493.0692 488891.6444 732699.9795 548665.2326 932316.6694 644207.2023 487897.123 530189.9744 393091.8378 484991.1876 603335.6531 429579.33 961248.0959 734789.8417 588349.1796 631283.3773 338549.3596 577322.2472 690161.971 953206.9867 807462.5773 736224.4416 477114.3336 432242.9772 498879.3685 584111.154 628281.9274 594269.6959 570134.9411 469420.1586 985111.1969 650912.5922 316594.6699 157323.4199 323072.3427 287570.6473 639339.8218 618305.553 531415.3341 594502.9942 512481.1099 530927.4339 539109.9699 590640.6722 506186.7466 1340.352697 4051.071424 4191.997643 1313.903768 3366.372037 3823.71199 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 424337.1369 274059.0224 242144.1625 491732.2153 297738.7847 338021.5406 590430.5098 792874.3659 656438.0527 698689.8994 265976.4566 266573.4542 161834.0063 115408.399 262967.0447 281683.1054 193431.4634 207242.1629 215824.6847 177083.1996 786133.9279 643700.4538 932097.729 630258.5417 434223.2645 203988.8935 132811.6032 394862.5039 224663.8701 281221.7269 935911.5323 455405.4974 528179.504 472433.061 717865.7009 440958.0261 399297.1108 615540.2856 702487.2574 566908.2746 262760.5189 242479.1005 156310.1904 215898.3201 309725.5066 239414.0655 180691.2028 148790.0567 324466.5203 217697.1942 303771.1999 302315.0121 430703.4119 341118.887 489489.8524 333169.9664 379155.3205 399437.4973 316288.3382 221383.8309 202858.7007 329873.4773 219008.6219 335.115791 361.0623247 363.7077688 321.4138067 376.3250848 386.6769044 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature4 513887.8978 460578.4998 388411.8992 806486.5401 578753.4955 480391.4233 802180.0616 850534.4545 818040.8779 1023392.515 632561.3843 513020.4749 257032.9196 281611.7997 795823.8079 564741.2301 476533.0637 526744.4982 432308.5398 546054.1894 905477.8394 770117.8973 1024277.313 798206.7746 685782.6187 571739.0812 342829.3882 665821.2075 595476.9943 475265.5087 1300598.699 847009.8293 884975.1269 763766.6937 990604.6463 839562.7788 905270.3528 1371781.355 1081437.901 1084600.035 570715.2562 574574.9073 371168.1227 562446.2712 711396.3144 607791.4815 564161.3508 494084.2662 1004869.949 567026.3723 370219.0216 334654.1503 427651.7062 362995.0427 696629.8444 743245.0694 694419.3157 636036.9307 620006.3047 612035.6873 642152.665 590107.14 645519.8259 273.2385014 300.2233179 283.9397881 261.4565456 294.8465317 303.6294417 TG(58:9)_M+NH3_feature3 2124204.357 1474555.814 1346871.649 2476216.25 1785327.805 1552732.87 2771775.674 2809090.122 2637566.806 2859581.195 2062954.61 1797619.42 1358870.544 1442221.573 2491583.599 1626095.317 1141615.631 1632174.988 1487014.076 1712867.974 3695161.209 2355439.687 4468165.827 2772538.944 1987831.699 1516129.024 984584.759 1802359.878 1887081.042 1405911.13 4129439.794 2537572.682 2948245.165 2631095.487 2894320.993 2433730.17 2854181.601 3523213.493 3425858.628 3360620.693 1919504.603 1920482.569 1497836.773 1608269.126 2236861.378 2071830.178 1315359.967 1102520.077 2199744.675 1910753.229 2376548.765 2388223.08 2802741.928 2421308.269 2308205.307 2278644.403 2156255.154 1975363.269 2126182.75 1985295.07 2122082.925 1945412.355 2025681.171 343.9584267 387.7912278 377.6385325 332.2495512 386.2551022 396.8800733 TG(58:9)_M+NH3_feature2 269138.7175 202265.0672 138197.9965 293901.5528 205684.812 234040.908 408001.3044 323216.0122 311121.45 520066.3658 84608.90373 133167.4742 79400.28087 135941.9445 137090.6729 76644.7089 87478.72839 168467.0244 104169.2984 189023.8854 610482.1363 428490.2632 793425.2725 442122.4533 316650.1057 89737.87393 63034.97708 167623.8208 166819.2926 126937.1148 554178.1772 298406.7028 362560.0921 264947.9341 408035.4945 250340.0293 411098.6597 317250.3778 520932.5481 371185.9475 80106.73156 165713.1973 92897.61226 96686.05245 158329.4978 69058.67187 85355.17158 67878.23919 77393.73721 205971.9594 576684.6974 454676.0659 435989.2149 387576.3467 221625.4243 221022.2161 258487.2982 229574.3623 208589.7894 222468.3802 213713.2058 199692.7299 212641.8064 237.5829807 273.7301223 265.0444916 210.4166167 263.9313872 280.6905162 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature4 1151940.265 731474.0892 641293.1927 1329972.453 1023743.206 872097.42 2206265.473 2022783.378 1495151.441 2100658.314 838100.5392 701654.9405 451909.0252 627226.8691 840102.2655 777332.1186 473845.2966 749540.2835 556456.0029 777037.8776 1942242.844 1506071.836 2274343.436 1981422.742 1436275.45 484728.4013 283762.6938 985066.074 715541.8691 637346.1985 2235843.924 1550065.874 1859038.667 1250979.049 2428878.478 1597596.875 1810322.203 1806126.042 2569764.607 2060400.881 897832.376 849916.5976 620111.4632 656843.4838 1133054.154 863412.4056 609578.9948 479264.9231 811671.9369 1105442.086 2406796.593 2298696.348 2233191.439 1773105.24 1487252.75 1370114.261 1339749.726 1141225.754 1279677.025 1159248.215 1174782.994 1291174.207 1249374.282 305.2066865 335.3486553 326.6536634 292.7048301 329.3427993 339.1532867 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature1 102845.0646 74793.37375 58004.35147 93979.69374 65496.04541 70882.97528 132669.5163 118672.1953 100283.0149 131744.0134 89593.38993 65390.32736 30702.92224 85535.47363 86314.62511 56217.36674 34924.35059 80145.08114 77855.34736 104358.0314 134484.532 98901.10635 175234.5974 104319.3183 88522.33082 50221.46502 24234.88488 66845.77077 80710.84878 40379.0601 219616.4378 140497.3384 147846.6579 111760.651 145539.1788 117625.6715 164887.8656 153004.4459 181389.1402 119638.3166 142073.7312 113209.4446 99166.34765 73990.99936 109777.9596 121361.6845 77431.58431 58086.97228 132014.7571 149905.4471 236167.1291 231466.3672 178473.7811 166179.2754 62835.38495 92708.06492 98593.18973 109685.9697 90866.37264 94508.45569 91591.57341 87623.93427 104924.5446 287.1109094 310.2288991 325.6979768 254.2812873 349.7044976 364.7198501 TG(58:8)>TG(18:0_20:4_20:4)_and_TG(18:0_18:2_22:6)_M+NH3_feature6 1377278.498 1240931.452 1039538.07 1471471.101 1509798.35 1070600.055 1962996.064 1939448.947 1615491.177 1793358.456 1665960.818 1497814.568 1286548.925 1524351.352 1956264.455 1406938.116 919841.1967 1096287.077 1295169.282 1437568.953 2208781.035 1642799.026 3303748.067 2262867.829 1555424.144 1153427.604 868026.0144 1087704.319 1533012.086 1148715.861 2976276.129 2122729.838 1872763.301 1894906.714 1901076.274 1632883.456 1672055.117 2467179.014 2476928.447 2037418.948 1490538.479 1297309.3 1416766.24 1421412.54 1895488.357 1626519.2 1297899.055 1081300.081 2187060.401 1843056.975 1643212.486 1499007.477 1825672.672 1542208.792 1823218.008 1730407.129 1768696.38 1593970.831 1548029.876 1538841.87 1558610.379 1509127.707 1617931.971 544.9643951 676.6594782 666.4266273 507.4761 681.8178916 676.0528941 TG(58:8)_M+NH3_feature5 1063743.689 906869.3163 512989.129 1273943.536 1098125.597 1058984.406 2166610.328 1619449.786 1113037.375 1186972.634 1367629.847 1189408.634 860532.7364 1366736.334 1524679.08 833639.9904 355224.9715 904322.2453 958916.7073 1251708.03 1860717.828 1086216.088 2313476.521 1735944.913 1023616.821 699732.182 613302.683 1228783.106 1141085.918 820639.3136 1960081.133 1581158.354 1727885.318 1502898.61 1464696.606 1686764.526 1392928.169 2489367.062 1853049.001 1855773.839 1279255.735 1221909.869 1234039.425 1170394.266 1632095.827 1363891.46 944981.5362 962333.5809 1944712.098 1535159.95 1038945.665 1271753.898 1288797.366 1043852.414 1490611.132 1575463.677 1068983.595 1394407.631 1360254.423 1311865.245 1354684.844 1285146.618 1518589.322 831.0333567 2511.708666 2599.084465 814.6347307 2087.187544 2370.743325 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 1559282.067 1273961.386 880683.252 1716389.222 934161.4626 986027.5337 3880098.777 2188604.828 2116599.529 3180519.472 1443373.779 1151560.653 794657.4777 1367676.853 1313530.113 1132262.67 779792.9698 1138150.843 922101.2713 1493686.861 5791870.802 1148106.469 4764939.168 2496672.875 1647746.865 422216.7738 506312.9543 1078385.753 1504054.374 1019416.208 3374297.599 1270886.018 2266167.526 2118366.014 2763640.404 3741574.178 2032119.558 2763097.531 2792549.268 2641173.236 1370699.852 1407060.833 1276692.652 1135844.187 1624880.956 1544686.36 1095793.041 922724.6893 1706816.553 1636293.345 3187943.014 3119886.819 4145987.618 2135190.39 1494724.111 1685425.664 2176804.446 1572773.876 1672360.731 1653038.924 1355816.636 1624222.475 1753663.404 503.7879404 640.0656683 630.8054242 467.5060529 659.9297093 660.8731663 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 1439242.417 1722573.878 1385558.255 1786227.233 1737009.889 1236476.706 2276929.112 1808605.011 1657461.83 1704644.845 1877259.135 1859160.352 2058209.511 2537815.166 2803806.414 2231423.549 1193041.946 1428334.519 1991417.325 2299276.064 2564696.741 1789468.411 4557474.768 2785044.777 1786923.634 1420242.325 1074146.922 1495786.764 1969662.858 1751074.951 3429724.753 2285082.767 2254141.595 2717859.078 2212101.938 1968561.321 2041586.647 2850597.701 2951095.245 2710205.051 2037974.569 1807298.666 2040933.49 2061351.458 2904353.316 2508862.896 1941422.285 1510399.754 2713264.408 2205264.545 1234836.635 1178680.453 1892583.583 1747229.807 2361951.329 2481976.968 1983239 1925875.366 2333341.711 2247989.402 2245961.563 1865449.435 2551392.135 369.2941632 375.6001812 399.9688124 350.7919793 382.5434022 387.5350102 TG(58:6)>TG(18:0_18:0_22:6)_M+NH3_feature7 238932.7444 267452.6125 260820.4407 321129.2739 319090.198 274027.1231 191693.924 283171.9482 266177.9704 190219.9793 311736.9748 304229.1946 280822.639 305174.3278 461167.9556 373161.5961 228596.2346 263415.3491 288493.5892 330053.9883 408820.7886 321675.9874 575817.4927 458642.3096 332047.0721 260019.2492 201251.0051 284869.2724 343983.5396 323610.9283 524849.6848 399379.1567 330761.57 367498.0755 345409.3871 281736.6696 325431.0322 418957.4057 440447.585 450303.4151 290258.7618 271935.9291 302882.5724 294003.5871 453252.6456 285608.8287 252431.5132 220747.6539 466080.6373 336587.3399 241073.7126 128440.8354 392896.9437 278523.2789 365209.9828 373669.7651 335826.4497 322844.9767 302269.0627 317355.9679 288581.6503 276483.2562 395965.0817 589.875122 597.6266463 638.9187252 547.7577938 579.4486355 593.2875001 TG(58:6)_M+NH3_feature5 299224.0041 254608 155809.0439 335848.3715 291928.7972 189089.2392 508891.885 455857.4973 431759.3563 419108.4467 254819.4547 298622.0981 133505.8831 264268.6803 298114.0048 211263.8403 153738.6299 269324.3215 27292.53631 298417.376 678444.555 300992.5194 1005267.302 604291.1332 292074.2862 161750.4465 61609.88215 193631.4925 244060.1083 210696.96 1106044.72 454720.5735 584303.5892 422128.5422 916702.9088 541529.7 418810.8413 1136945.247 1029124.183 1161703.844 218994.9786 293790.4549 219217.0384 240485.587 401250.533 345086.0977 197784.0551 161935.5088 432294.651 773856.3845 597920.0633 1898749.608 1681787.193 1515939.694 414249.3696 456117.7646 457977.8945 453861.514 304389.1111 321499.6299 377312.166 368569.8336 413079.5273 316.2761839 321.6768739 342.5470053 300.4302792 327.6232865 308.5770653 TG(58:6)_M+NH3_feature3 64795.12835 43556.80925 28678.33406 64755.16612 44399.60893 42892.9312 77348.72871 54176.65903 71769.77856 82838.86273 41527.18663 69163.18587 21070.98015 39556.83823 56843.79202 57535.12711 23602.60954 55199.94755 27292.53631 71964.64582 105782.9195 55709.07824 154116.6976 104044.8951 78185.96649 22763.04534 28675.23301 65262.85976 50658.05911 28509.40214 138763.8464 60564.08481 94498.1398 58098.62501 118315.4063 56506.63168 91291.16724 115573.4131 106035.828 91183.26307 63458.60758 63025.87563 41720.61746 37455.77478 69720.28379 53334.92614 44581.55173 31576.5384 59088.75745 68347.0292 144218.0863 100869.547 125336.5575 101604.8367 84178.7709 88404.53932 80848.38305 55280.0276 64872.56907 52568.67731 67542.06317 50891.86468 54843.28681 358.9711587 371.7671739 422.7839441 333.9887735 364.1912026 352.3803285 TG(58:6)_M+NH3_feature2 540503.3404 269445.4258 264278.9149 707084.3813 244888.137 276692.9613 473818.2117 580831.9217 680102.0922 485715.6108 263714.7373 248408.2561 253082.8334 330578.82 235599.8532 297301.8283 321203.134 309170.4456 247443.5793 245340.5305 545994.178 388435.1327 392508.4807 900337.839 315210.5249 374324.8779 91538.12662 172318.1445 221098.5504 208578.1222 472422.3725 560634.5079 521617.2285 481398.8137 468910.5382 462434.0883 400794.8263 891168.7017 418417.8996 863568.134 418492.0736 378589.6781 238804.6956 231082.4675 246892.9115 514239.5555 353360.0549 235980.3573 287301.5909 335531.8851 311754.8633 811871.2728 396836.1556 515434.594 253693.514 288089.0357 315828.6121 386216.4203 319714.4006 424633.3742 404394.4104 561932.69 568223.782 353.5982562 359.2031929 374.0221505 312.3437575 340.0721376 347.4818965 TG(58:6)_M+NH3_feature6 1464137.895 1066168.655 842791.527 1432067.705 1016181.643 1213355.545 1789143.101 1827248.727 1215068.05 2028119.1 1137400.492 1014716.558 753732.2827 1029112.75 1299793.421 1054174.877 697644.8661 1191008.386 820428.9002 1270856.107 1869250.211 1265327.755 2562713.631 1896601.166 1590148.832 690062.911 508642.7173 996775.3452 982914.7677 847604.5418 2858233.828 1662010.267 1853553.462 1379132.79 1784698.543 1212312.634 1615519.795 1588391.696 2200020.491 1838216.397 1106581.482 1131644.95 893477.2082 1009415.95 1129916.08 990792.4498 1060085.227 869419.3703 1534531.061 1049039.033 2145661.695 1918617.972 1771428.855 1367762.9 1473150.755 1400066.668 1254529.538 1244872.571 1158459.455 1184365.33 1147544.138 1115749.75 1426966.914 885.029014 854.0859299 927.0121778 840.9476862 882.1879359 880.6262567 TG(58:5)_M+NH3_feature6 167653.2448 110289.6154 114401.298 270536.8309 152861.8642 180426.0114 274985.4686 233150.9873 232509.6865 413142.1313 264333.955 169903.6312 95500.81398 169733.6444 280507.4677 151576.0555 140796.2698 307619.7921 159076.1648 654472.6041 167517.604 135750.1751 263885.2868 204709.6889 236403.3734 165825.0842 111385.3624 241789.0163 200053.1948 169633.852 442599.7913 273584.4114 399219.6314 288238.846 324600.7417 218016.4145 383630.3957 666866.5326 467156.8222 431692.5887 273548.1755 233380.3539 220107.8576 268244.5492 370437.257 618230.7476 541421.1537 292291.5233 914108.0994 592100.6689 911380.0428 661986.7247 1107590.273 849469.6821 346706.3791 280997.5802 264394.6691 206487.2323 189365.512 272910.2233 248257.2814 244769.797 306316.9159 274.18174 277.7847508 295.1769194 252.0630677 269.3353715 275.7678584 TG(58:4)_M+NH3_feature5 465061.0974 291665.195 348116.8284 224499.4918 281446.5786 325167.4138 519469.6975 403787.647 381418.0002 472234.8757 236877.4558 294904.5133 254771.8315 423125.7225 365540.7805 383228.8651 245385.1437 472046.4889 240166.0218 469233.9954 501811.4351 393682.6867 670075.4216 513154.8903 364036.2325 204185.5066 106887.0363 292054.6437 299918.6639 349632.1806 739490.8748 570107.9156 691731.6712 471622.3914 559199.5456 388453.924 704847.4495 463970.8509 638766.384 615591.0607 354378.9783 419816.7817 378712.1992 340558.9075 502664.4563 419804.3513 314988.5906 242653.2428 389390.0991 372449.4128 892920.9275 891400.6744 1141302.666 920683.4699 432717.6259 426851.4743 446662.2728 411481.7939 403229.0138 377411.1907 409297.9669 364950.1772 455592.4755 318.3702491 403.2326507 444.2598221 305.9443298 364.9961252 343.2886375 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature3 430079.296 259135.0123 377838.222 300183.8356 269822.1249 329837.4895 484563.4593 294780.2574 265097.0023 456814.3517 249871.3353 318773.7273 203597.1282 350974.8858 321509.5767 357714.6211 189619.2952 515497.779 280287.7746 527095.9626 580261.6031 382898.794 734653.6748 453628.8583 415342.9176 160946.0216 128507.6331 271355.8905 258425.7729 375448.9024 785032.6437 533937.2372 789168.944 468841.9504 570738.1569 388754.9685 712944.5421 487508.9202 535592.0312 536506.5745 312228.8815 426088.4753 316715.4586 317420.9263 552503.7345 380008.1096 288044.4354 235718.2427 466317.3048 303711.4852 948523.1069 732423.2026 1594913.488 1039494.014 468550.8844 464111.0042 404676.927 407993.7721 361459.5105 354554.2728 374091.0227 389074.2319 528260.7734 502.0843481 1143.070092 2035.737919 427.4110756 1759.843006 931.4406974 TG(58:2)_M+NH3_feature3 313276.3322 183105.108 269166.785 212110.7508 146758.1837 195629.6777 318438.4389 191119.7664 179737.7182 288491.0563 183072.0376 245969.8692 157265.7414 267695.8533 229398.1943 251669.9977 161335.9022 331502.6275 216315.8884 259678.1843 357346.4545 238816.1154 504072.9173 322000.0114 260421.2935 115015.243 94773.76679 185473.6531 175336.0469 261847.2783 519552.1939 358428.0848 502392.8061 320995.2264 353232.7715 224727.1015 403523.689 327603.2189 321169.7992 375120.8688 211073.1037 257373.4183 233878.9554 230701.7457 406595.5192 253247.8793 184694.5073 168891.0259 319726.4225 159832.2812 502122.0178 337365.4748 1013305.417 641573.4496 306783.2423 310954.0063 291059.3112 273311.3994 264796.2691 268953.9873 264787.182 246637.4325 362056.8187 283.3467095 4650.835241 2304.735464 255.8294065 2699.233842 3141.779271 TG(58:11)_M+NH3_feature2 105558.3778 105317.3229 98274.85421 151556.1829 115715.9637 100954.4358 142957.9546 158429.1181 140982.3525 178673.998 134444.0927 100983.7791 27033.82005 79079.09761 149314.7067 71153.40965 69961.51473 69976.06626 87569.22529 102498.1003 237290.0559 53094.44766 284198.8127 140331.2137 124610.0623 91747.12487 60114.69197 114871.1574 142166.0093 92253.49054 238406.338 159967.7737 160396.922 120746.4598 178099.1249 141396.7225 178534.9356 204531.9149 183500.485 176008.7212 136618.5232 100929.0222 87917.12328 86741.43521 149710.5281 157896.0205 95083.4285 72414.94064 186843.6331 124425.2568 111516.9649 104479.7475 114143.6479 82351.52419 117981.0443 141132.0885 130098.3724 117755.7957 122529.7304 89991.23966 87758.83009 108269.1076 113972.6104 270.725877 368.3892976 354.7071075 281.9523644 385.7252892 414.8817153 TG(58:11)_M+NH3_feature1 99965.39635 111299.7961 103796.6414 164832.4494 128266.8356 110688.5514 117483.0146 154851.6999 111953.8558 163976.4169 152301.5667 109997.9029 108282.8986 144789.5427 143029.8914 157241.5734 83823.35988 89720.5063 87000.36321 128327.766 177576.7011 184672.6791 201781.883 107937.9089 92636.30568 45628.08601 77531.34949 111267.9546 152165.3555 118777.1639 230506.1253 113679.8643 168242.0019 133391.1899 113251.2311 123146.3504 89243.00637 166918.7461 195764.9884 97621.65195 148581.0889 120690.5735 105739.4354 68829.28042 126127.9867 134891.2988 108877.5096 47830.79761 170357.7257 106320.3174 164155.0568 136152.5107 159695.3192 130760.7604 127866.0367 120270.381 98622.86997 143661.1498 112590.2449 101459.4043 99733.43997 108900.4358 137377.8753 341.6024533 356.985789 2952.00146 320.5744057 3170.758833 12473.10779 TG(58:10)_M+NH3_feature3 980355.9473 951950.4846 791881.7714 1370423.972 1051335.122 776626.5955 1525858.987 1370706.407 1222149.91 1508530.761 1351756.398 1234281.61 679795.2171 773060.8763 1627108.541 970621.4563 858509.3602 978374.7193 1021489.501 1102145.297 1960455.813 1353601.41 2118110.537 1357978.79 1196714.545 1127473.7 818788.0625 1077733.889 1372168.503 919786.1801 2195467.916 1565761.245 1709320.961 1558083.091 1574991.243 1338423.371 1555581.992 2230161.684 1622109.108 1682990.2 1203401.693 1151898.764 883103.3886 1092237.429 1448574.683 1535524.235 1103685.418 1034513.493 2005066.966 1399104.893 705126.3754 667978.586 855818.4697 757550.2548 1320617.594 1237487.098 1234664.987 1317471.544 1177050.035 1262632.507 1273942.646 1085502.922 1263839.391 254.3009294 268.911271 279.0943692 249.5567027 277.171158 290.562657 TG(58:10)_M+NH3_feature2 718503.3746 696483.7162 525533.1776 900997.6722 620079.5492 622452.5643 907054.4474 983750.5829 889902.6092 1136692.835 750592.9883 537417.7741 375582.5735 521360.6414 873575.4742 597364.8456 368570.2378 576098.2434 528742.2041 653831.3841 1248668.946 973016.4513 1757455.022 905980.8828 792506.2507 514280.0475 302661.4584 663674.3077 823870.4292 474332.9108 1511631.09 1013952.265 1103825.474 736330.4135 1207721.754 956122.831 1185605.835 1293397.981 1299658.874 1203819.463 880053.1835 659971.5688 629235.0897 553316.1323 977841.33 916416.4997 534544.4078 492400.4609 1155692.98 788495.4193 918939.4761 899845.5268 844155.568 711172.3215 835102.8076 847980.5133 822370.6917 739757.7081 767888.2661 804599.7834 720494.1102 713387.5561 749948.0623 279.8372492 338.4280572 345.2735926 274.4537782 347.8774787 403.8478433 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 72418.38254 35859.8323 52540.87711 51468.03863 41183.56141 62608.11267 67618.2775 46105.02679 40499.04023 53974.64306 38257.58109 49776.39209 27284.96559 42754.3229 43680.11032 58690.93182 36123.17409 74136.50369 44190.20037 74589.30531 82414.92434 53654.94759 87470.70749 67827.9022 58650.85174 24843.28457 20279.9575 37786.24616 42859.47457 57657.0218 121374.5772 72753.82457 87394.48345 68161.69383 61960.9267 46784.34304 74445.56741 63354.59725 73043.3081 80785.62199 43729.68057 57170.4045 44171.1387 54114.79948 79750.74847 53715.42402 45125.6845 29970.99707 63715.95476 45174.397 95312.33086 61222.3865 223644.4491 122952.8362 69166.29783 69061.57804 59929.93709 55389.86746 55004.75638 53690.81407 59570.18337 56124.13767 74108.97094 379.1077997 2413.680081 2316.012514 329.5559046 1631.947342 1865.643485 TG(57:4)_M+NH3_feature2 75382.07506 45126.93274 55321.56189 54376.37295 52660.06982 27112.20185 88109.75285 68008.0392 60719.19544 81659.68292 48326.96575 42856.35559 46205.50677 48403.97614 54223.57289 49660.37757 14374.32519 46890.12686 44393.51516 63165.81924 89187.42863 61433.22712 106676.8199 67564.57907 49405.09169 32579.97163 27483.60396 43722.21313 48563.54799 58762.43943 116953.4546 80147.49058 81978.78515 86401.67936 78065.48509 70473.9213 78705.79392 72170.02341 100406.4361 86534.36899 53952.39638 27117.09058 53962.22436 52544.13238 74034.95963 56442.71744 52810.00031 34798.13374 71103.95306 59345.18182 165244.0837 127445.4039 217698.9423 129892.1675 70228.2174 72280.43069 71239.60632 55886.86086 52605.47576 54244.26876 54683.76734 52437.99247 63530.87123 717.9260823 1073.084501 818.1472227 706.9549164 821.7531569 768.2512683 TG(57:3)_M+NH3_feature1 63456.4428 34518.10343 40563.83568 43231.1553 37404.23681 49641.28387 70607.88166 44152.66137 43102.16582 53551.60792 35075.99386 30216.22931 21600.081 39869.09636 44142.2817 23948.5366 22119.13118 27250.55845 31661.76134 67811.7526 68335.99428 52771.71741 92515.67238 52796.55026 48175.41767 24183.7332 13162.88321 25444.64034 29006.39922 31477.57498 101761.5281 68819.55644 83764.31076 55502.02501 57450.88607 46799.57771 79977.71064 60763.55986 80472.048 74183.03212 25607.13846 33024.82995 34062.23607 35636.38546 70373.39067 35831.99502 36124.56726 16997.96492 47837.56257 26365.03973 189015.7219 134421.0235 305583.3778 203989.7281 65657.65148 65191.33699 51541.62198 40247.69763 47852.06133 40488.59194 45325.81322 39208.70959 66008.13635 405.8154912 615.1511765 446.3457714 389.0383295 437.5581624 659.4717465 TG(57:2)_M+NH3_feature1 47175.88406 24245.67232 53622.84855 46613.0356 35434.04572 54058.61839 64684.44874 53922.62714 34881.00341 55185.37366 27200.07341 33128.23975 23722.31636 37392.72413 47578.06574 37715.6185 30478.9004 57555.34767 37293.164 52552.65517 47233.51384 36175.15129 82995.02289 33916.33104 52893.69246 29692.04744 18895.55105 36737.08488 35740.61993 38217.05094 96392.90999 68896.412 84837.66884 56111.05941 66256.13539 46026.42607 72969.81762 37405.02956 56024.59195 73749.20529 29750.80569 33130.50405 33427.26699 25094.1028 54714.46825 35186.47282 30044.69335 26272.78961 53445.27949 33622.71581 114779.8152 82661.47813 215603.4775 142647.2952 57357.88651 55847.15533 51064.13161 41868.84438 50173.11773 33165.30253 46329.40506 51996.01803 65720.97856 438.7990614 800.7890504 659.7372466 422.0890937 580.1460831 555.719931 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature3 1141942.797 764770.4995 586429.0845 999852.0842 858889.4083 708370.8592 1556427.909 1294482.128 1179685.016 1345697.303 928914.6833 745122.1175 549432.0283 994882.8023 854758.8324 702404.9817 192353.7116 751219.1055 618453.9845 1160157.976 1775736.398 999765.434 2172208.585 1317382.16 1031189.084 442446.601 308051.3184 716784.6358 856645.7025 499321.0432 2389101.986 1415637.329 1525804.526 1197369.938 1387181.034 1188029.212 1450214.102 1580011.145 1861548.236 1425287.413 1190962.862 1203211.58 826624.819 778866.549 1073557.201 1200651.624 840814.2854 606744.0827 1133872.472 1591812.299 2834921.159 2627748.057 2758016.728 2425433.771 1116895.716 1184224.895 1053625.351 1072887.519 1076590.866 1010253.424 1085178.211 1046665.857 1159715.021 351.86646 405.4012995 399.1565294 311.6323814 428.5775274 446.9794715 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature1 14439.50818 9955.339295 9377.408877 12559.26646 11961.60753 11066.93823 12790.97661 13521.92554 14616.14439 14346.86504 12640.44098 10148.07062 9364.159241 10518.60167 11562.7649 13769.80015 4262.160912 10685.63608 5937.53718 20425.21292 27301.70341 15830.13157 26601.25769 15159.74686 12087.00979 5321.887896 3292.299408 11008.43335 12621.47426 7208.719218 26041.47917 12501.14196 17759.78307 11791.96839 14447.54901 9377.11493 15472.19064 15636.46862 19892.02682 12993.89955 15975.73963 16739.90459 9206.651454 8653.036567 14084.04378 17854.73177 10188.58735 5569.069551 14074.70513 20522.38481 38692.03516 36831.00721 30032.76052 24000.68273 15293.58731 12455.89388 13599.92692 11087.05597 13491.81597 11235.93247 14415.1188 12362.81132 12933.8069 270.3582288 341.1780444 328.9345503 272.4991877 333.020725 349.8148762 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature5 2796365.469 2367510.096 2219071.919 3127722.838 2850654.684 2379759.192 4009664.257 3931333.61 3479981.05 3642310.843 3069459.612 3142301.696 2181371.234 2596364.638 3472637.297 2844181.433 1991434.428 2669018.305 2487118.617 2893151.588 5220988.364 4208620.763 6393710.683 4398825.3 3204926.166 2330334.309 1577152.212 2653250.576 3041423.687 2332779.6 5893554.253 3603097.623 4309923.047 3661103.217 4226257.636 3490195.664 3986372.029 4657025.689 4924269.87 4386370.722 2880359.995 2775949.486 2449095.733 2315798.674 3212859.34 3081753.339 2090273.513 1902739.588 3815147.113 3334937.198 3101948.19 3143261.562 3819254.325 3714586.595 3425124.834 3295188.523 3471690.765 3184292.05 2983705.065 3131179.373 3004260.504 2974637.207 3259221.803 277.989677 299.5131884 301.7076721 268.5264795 312.1741547 320.7613328 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 3873509.735 3755808.892 3863950.179 4826862.147 5055965.24 3552364.331 7227172.979 5939726.222 5420241.628 5267889.545 4984875.839 5183796.742 4402299.935 5474034.571 6301626.421 5460052.923 3439404.806 4855681.333 4989788.076 4538413.804 7561598.158 6023117.187 9784759.728 7556930.564 5056685.912 3773950.956 3172841.484 4578836.54 5757925.895 4085726.808 8039512.065 4989101.027 7073631.614 6443333.064 7360880.85 5665356.223 6521468.578 7920373.986 7496569.9 7473479.841 4892584.791 5422100.464 5022244.737 4635557.844 6171894.322 5230798.453 4300223.423 4365371.877 8030058.377 6275120.552 3826392.468 3650719.485 4905396.201 4292322.878 6231620.113 5681584.73 5829167.653 5222376.014 5538502.073 5975364.351 4704057.615 4816139.26 5826062.655 565.4889423 1558.544663 1793.985146 556.0285165 1783.027203 1674.733956 TG(56:7)_M+NH3_feature5 4908989.157 3095551.29 2277715.276 4388426.693 3951312.37 2881171.699 6781061.595 5945139.853 4854309.648 6131404.781 3306629.005 3217248.141 2291225.263 3882204.563 3423095.57 3056520.661 1868828.189 3161077 2690731.806 4242027.436 7163955.352 4723536.273 8611301.954 6062859.818 4441065.328 1977644.497 1325905.381 3183560.192 2809411.623 2150402.105 9430717.076 5658758.772 5356159.013 5124777.571 6296057.59 5054172.641 5572546.993 7062027.589 7426133 5813821.723 4587115.294 4530374.095 2790751.855 2945797.728 4126465.102 4308312.973 2885508.344 1991741.51 3885467.347 4894970.477 9619485.23 9005875.293 9827348.889 9058003.648 4632677.07 4524057.225 4750675.314 4107988.455 4468353.064 4064279.673 4349552.25 4135379.861 4495825.046 297.0756825 326.4146399 317.951291 284.2658752 320.5687858 330.1179122 TG(56:7)_M+NH3_feature3 13707.91735 7176.478603 5499.163343 9939.875637 10667.9349 8038.776614 12336.18832 9590.438335 10373.98638 16679.15313 14547.86223 11242.75131 12193.51596 16048.33524 7716.724491 10568.88971 9557.758071 17325.92867 14640.08565 15585.35326 10102.68933 13044.65323 23924.46528 15988.62731 10198.44603 9704.18891 4206.911149 8942.687907 13506.66624 9433.078765 16888.91123 9492.569621 16517.72481 13266.1104 16208.55806 11371.91677 16884.32995 16140.98851 18761.28454 13480.05131 15981.2683 26304.29926 11169.66784 10777.8601 11759.16217 17990.59123 11989.23517 8107.362198 11694.87117 19653.5714 23456.80355 172379.3444 184415.1909 39139.06467 8529.691358 11742.01216 13908.68303 19593.38258 14618.96772 14224.40962 14374.68285 10486.69713 14909.54055 185.8299172 222.7976456 224.4535147 190.4147486 223.9858688 230.8055838 TG(56:7)_M+NH3_feature2 126804.7573 87860.07667 63663.33598 119868.898 88895.46667 78011.7618 182374.9227 158563.3904 157947.3613 160351.2398 101845.7339 86951.18537 58782.53351 105611.8826 100195.9509 72116.02536 40385.6409 84163.39544 65823.05161 124579.5156 219011.4849 112018.1334 320495.7831 168673.8282 111723.714 52239.69491 34031.69669 78984.77433 91767.86149 63894.75183 312027.6929 162075.0788 198922.8748 130474.7252 177541.879 169508.2974 172565.0735 202896.153 223482.6511 142951.8929 139515.6703 149525.3715 83874.00906 93545.78354 142028.6983 152872.5505 116294.7475 74968.6029 146462.7426 158595.5474 374782.9759 310011.8326 331533.5394 270353.6198 139580.538 132364.9014 137356.4755 134450.0629 132581.1484 118471.3479 121187.6628 118225.4799 134864.816 295.5949284 340.568317 335.3222291 261.7952034 328.3769707 349.2282687 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 6377163.354 4043707.214 4762991.14 7831899.315 5252440.37 5278239.289 9526728.319 9740457.008 6895364.359 11054392.48 4966667.783 4963293.648 3407800.265 5785675.65 6821980.004 4445570.601 2676414.509 5761870.911 4257630.936 5557637.132 9986738.569 6622710.378 8821038.498 10520048.92 5300561.789 2965983.953 2240143.947 3691906.045 4212242.252 3128062.13 11347974.4 9463991.722 7559092.029 9051572.258 10175471.2 8450026.904 8684579.942 11450782.74 8997972.737 10823582.66 5719516.347 5684884.524 4690454.639 3847564.108 5331809.662 5228680.31 3860176.491 3227177.255 5904488.822 5995056.553 9052848.084 8380718.805 15281861.8 12667993.55 8835379.593 5772633.5 5873357.352 5539025.84 5360866.907 5904448.302 5178739.87 4729172.828 5569624.424 413.7480299 420.3064093 437.6461852 365.4758248 397.9210148 406.5912306 TG(56:6)>TG(18:0_16:0_22:6)_M+NH3_feature5 1113749.167 1017322.804 1004528.385 1400733.903 1375901.198 1073276.176 1020935.919 1469130.45 1462790.697 1453126.572 1349555.415 1503020.416 1309463.324 1530550.969 1889394.444 1494841.387 968644.7894 1099448.489 1270019.62 1572510.563 1985381.927 1512734.436 2772361.691 2147164.792 1480837.764 1190468.529 788304.7499 1147137.463 1444048.722 1189261.96 2672864.075 1685384.989 477036.4788 1747038.166 1761444.074 1462051.868 1495089.674 2197712.052 2293598.271 2023602.498 1254813.052 1324486.512 1304701.493 1170274.973 1823777.007 968203.6089 1134610.938 983043.5904 1818211.713 1674317.885 1163903.407 1058391.177 1892716.32 1577254.441 1574521.682 1622028.912 1507232.077 1512335.774 1303370.385 1409267.804 1475140.068 1375934.38 1722202.478 603.9355418 617.0559912 658.720827 550.1277113 625.6030556 675.5827484 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature4 1410225.758 850719.1009 801921.9315 1411033.707 1255096.749 1035400.018 2081143.002 1848246.057 1712765.816 1936606.727 1211291.506 1119965.855 562456.3571 1086961.433 1325057.366 747019.0376 689181.7412 1172233.194 890934.7771 1353323.705 1723513.702 1082169.529 2359396.425 1947402.692 1411703.361 722237.3209 456197.8632 1046832.081 1007273.745 761503.9143 3130119.52 1749787.188 2148033.84 1908483.788 2543815.072 1603957.666 1921618.067 2618109.752 1684667.265 2401201.678 831041.8427 1083745.745 918720.4266 1038857.893 1640932.648 1546880.193 710057.7421 837478.1539 1686810.044 1125990.786 2446290.972 1681885.812 4661727.481 2975636.548 1654442.09 1588768.715 1527205.721 1434232.266 1134245.639 1367665.898 1379032.446 1313637.099 1064302.595 375.9905852 325.3032993 347.2684187 290.019645 329.8091922 400.334753 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature1 570811.9173 421978.6515 374035.3702 368418.5371 378416.9021 279629.7674 642808.754 512705.9805 576247.1635 571342.1265 423543.7574 356081.0035 378518.9792 619232.3446 253298.7694 458207.6108 247338.6198 558569.452 378574.1981 718728.5645 636779.7535 448907.4018 645563.4674 594342.1594 515624.5953 203686.9379 93972.08249 324290.3277 439692.1161 282505.9721 884892.3626 580426.7589 952803.9912 550229.1724 459272.8112 526669.5713 935789.1 552213.4922 904060.6667 719265.8428 690363.7025 1218563.8 448656.4043 804802.1077 432898.1637 762792.8012 841199.2714 314234.3656 441503.1791 964645.6773 1556508.488 1423471.545 1101859.701 1616082.652 416585.425 472159.9771 593032.2571 702868.1042 725411.5033 798293.2984 768751.8937 687908.3997 772910.6862 732.2142346 2213.03853 2290.024374 717.7655879 1838.997698 2088.835539 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 3767924.801 2067684.409 2034777.412 2940952.406 2825737.3 2164549.927 4781866.012 4176027.462 3468153.307 4588305.79 3235410.156 3783269.767 2684929.927 4565171.162 3519628.519 2782114.177 1605130.938 2596098.61 2785383.653 3165330.929 3755833.28 2485266.163 5242159.291 4349385.745 3012304.512 1784261.971 1567647.814 2117486.471 2664101.65 2283993.125 5699962.015 3430889.702 3647319.727 3795176.001 4019217.97 2993026.714 3075182.651 4612401.203 4913118.934 4053288.653 3311724.635 3099049.464 3635775.717 2722801.413 3945886.564 3498419.834 2769680.852 2274043.832 4216334.956 3623394.843 4016495.442 3897012.258 5373398.842 4886628.782 3694702.173 3730279.951 3681572.596 3493721.487 3180896.596 3191401.905 3255157.335 2980751.058 3762880.873 372.8232629 420.5486341 391.3076075 354.253765 376.2191229 373.2541807 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature3 1107508.503 653979.063 698614.2498 698977.5681 901360.8364 759961.7862 1346577.857 1168476.066 887845.7367 1241037.459 843472.2007 729715.1378 504962.1859 904949.4044 692236.9303 1050402.537 504774.8868 1061424.655 566615.2824 1999386.747 1400022.864 996678.8797 1648666.158 1422800.571 1180113.643 340409.8264 264586.3781 799035.4086 827061.8142 472347.3868 2125329.674 1304642.079 1915137.792 772421.4714 1508812.725 1000504.052 1510839.051 1115936.556 1734556.873 1378660.703 965918.635 1384383.729 594217.6189 992724.9309 1040336.778 1259789.565 1295023.751 394343.5624 1017463.118 1525325.382 5291077.496 4786160.688 4296260.771 3914293.737 1344760.366 1191798.73 1313308.175 1307069.215 1332510.982 1187004.719 837216.1498 1115642.521 1101710.985 362.2247115 450.2318241 393.04952 323.097494 522.9739591 361.7064349 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature4 1606666.296 950012.2187 921989.763 1006146.522 1068420.36 912359.5601 2657821.854 2007431.758 1275661.31 1147207.729 1251920.498 1200406.928 824171.8057 1644387.818 998683.3284 1816722.189 714369.7149 1719629.217 784556.572 3579043.397 1708861.628 1133422.383 2414364.588 2061074.286 1631079.888 577203.6164 316281.0279 1061535.364 1303834.988 688402.0376 3257030.987 2124367.045 3073824.195 1730822.348 2173024.621 1479432.965 3807911.677 1388207.871 3100947.479 1923246.845 1801291.492 2482918.05 1079269.294 1697047.652 1772266.97 2422175.026 1881676.617 782085.6541 1669083.267 2661468.036 7304461.694 7769463.883 8381711.865 7696646.284 1984192.696 2052740.851 2187748.907 1809030.529 2151738.586 1995620.396 1938788.361 1868411.933 2543493.724 532.6252136 4325.014089 4878.546102 344.20573 7997.794664 5761.354076 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature2 86910.57998 51643.34682 56546.35248 103883.4971 97164.25256 79535.98425 170430.8819 134386.595 129014.9835 141479.2289 92253.18625 80108.5076 38542.69498 70759.79618 117183.705 54268.01908 49628.79171 81693.46128 58476.96555 108625.8351 135913.3361 73493.95416 238111.7769 152317.5468 121791.1818 54425.84762 40905.57899 81115.39 61051.40128 46383.65119 268609.3257 143650.7361 149867.8989 144062.1691 219772.5595 125136.58 118845.0493 196230.7118 193129.6344 193717.1866 77683.88499 58942.58822 69445.81486 55966.21617 146383.688 107543.3285 71831.00426 74654.06593 123492.4986 101732.7477 187849.9671 3587.503977 337166.9762 248929.8748 144515.4778 132507.5902 104502.5285 88174.13497 91319.80433 82676.19729 86706.30275 73065.74859 101139.2198 226.9005468 232.2269626 247.9073844 207.0387278 235.4436217 226.0989267 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature6 667060.9709 317471.3175 379977.2896 415898.7177 430424.8272 511420.7956 625889.0924 682451.2158 489365.7233 569736.061 554131.8774 577257.7737 416689.6642 657382.1763 602498.3722 523326.4491 257070.8196 481796.7512 510791.5588 514252.475 520019.7996 421567.5003 795652.6077 561401.5263 255799.7771 283125.7987 313283.7393 324202.9818 538765.0367 459803.0779 952421.2009 623394.5456 563416.1627 670765.3311 564243.7346 237907.7081 479235.8746 628826.8559 518464.8816 751504.0347 491574.8937 538624.7485 521719.7437 456761.4048 710773.511 597431.6531 437846.0011 294589.1625 774333.6296 586660.3221 631376.3845 603322.618 729440.1687 722018.1326 628244.5797 632204.4182 578657.346 449638.0139 437323.1494 500600.1916 524139.1767 414479.2567 669866.0754 271.5147476 304.1224629 315.3146487 285.7008471 298.2022457 296.0847046 TG(56:3)>TG(18:1_18:1_20:1)_M+NH3_feature3 1427266.371 858305.4406 1176148.449 1088303.739 996866.0674 969746.7383 1829296.295 1199624.373 1159099.093 1629994.285 917133.2876 942294.2896 725487.8732 1117378.007 1081261.019 1570246.714 680118.3286 1952812.128 942480.046 2405321.319 1462817.076 1123350.325 2301770.463 1708570.576 1216724.705 545874.5441 422761.9011 1014217.493 1027783.049 1032013.234 2512571.883 1842892.978 2656669.096 1368673.045 1709832.48 1336376.18 2264646.158 1381791.259 2303374.934 1593943.953 1461822.268 2015122.848 966982.2725 1353509.095 1557300.836 1974963.727 1303318.804 581318.8933 1484170.248 1962870.907 5744092.966 4567637.541 8980408.361 7345644.36 1647345.354 1826727.918 1621482.611 1413594.272 1312686.879 1364216.847 1353309.077 1340736.031 1708038.409 1176.917381 6261.548285 6984.087068 1329.713022 5898.119163 6898.84334 TG(56:2)_M+NH3_feature3 588468.2572 284473.1094 468316.3451 382502.8048 370109.2096 474640.2917 608656.3895 431885.9217 377670.4968 572853.4974 360942.1382 357609.7781 252694.5456 477994.7539 420189.3291 457105.6434 258794.2088 664852.5146 347590.5963 921764.4105 655646.932 468235.8324 909040.8243 552345.6655 503934.5484 221771.4762 177416.3731 365445.1217 355991.2674 409050.7227 1096182.016 638580.5736 1045282.668 560044.8798 662419.1606 414347.2107 916248.3079 566509.4997 706946.2215 636426.2269 399447.4063 678378.4742 407633.3235 422709.7683 686837.1586 699044.1355 425132.5535 285219.4946 613014.3147 571201.2305 1982978.477 1853307.544 4079604.619 3026671.626 657656.1827 624260.4926 575029.6737 570286.0487 511884.2952 561131.8962 545714.0473 532462.4572 725419.0379 569.5310053 5150.509538 4985.119991 317.3754307 3600.708091 4560.793977 TG(56:10)>TG(18:2_18:3_20:5)_M+NH3_feature1 27267.63652 24200.18075 26505.10994 33215.75065 31027.93025 32765.35874 34262.10485 37073.0132 40241.28109 59392.18299 35880.60424 27691.47015 21773.17635 21928.46859 43538.9789 37521.04545 17041.80293 35611.28091 26777.03597 46149.90066 40310.88685 38284.98938 66165.81596 33669.54961 27587.87141 32506.29588 21832.17612 35350.87163 50215.08576 24694.90144 54492.57005 36224.46832 40274.72599 18440.5403 38904.21626 27590.4126 62098.13426 41087.78408 46959.34993 40623.48169 38595.01361 29313.56534 18986.44538 22265.63479 31962.00673 57583.70886 26563.86968 18882.2095 58709.16714 27958.44322 26521.57001 25285.93658 24794.09756 21775.79245 32798.73688 33512.53395 34350.72744 19411.85082 31843.79196 31464.68638 31940.50988 29966.607 28310.44172 248.1042003 325.8036806 342.4106546 229.0638662 345.5281924 389.4336242 TG(56:1)_M+NH3_feature2 190530.9079 94924.13391 157913.6327 131180.1511 107156.0516 160568.0262 181440.5529 121693.0996 117169.5722 150024.8046 96356.78492 131913.1932 84170.40421 144787.3248 121342.4688 134329.3434 89425.86625 189666.7151 108817.661 174815.6905 219645.0168 146627.3364 280536.6612 201899.973 149116.1631 70655.83462 52663.42663 98707.41577 113142.9624 157458.3172 331998.1005 208209.1686 282094.7765 195710.7924 199034.6331 121129.254 207121.3989 198622.4254 184691.1885 220779.2969 122288.5598 156786.3881 127191.1342 119856.9871 231278.826 143564.8942 104657.3207 85447.04337 186903.7176 111568.8928 304602.3832 206147.1963 729822.8298 454088.6504 177487.4511 182063.7125 158414.3305 144114.1218 146824.6309 148327.8425 159967.7173 155280.1583 204280.2872 966.7721879 5548.399421 3022.269679 263.9000441 3722.128577 4062.969766 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature2 68393.20308 41145.37965 40114.4309 52024.64043 60404.68558 47857.67627 73764.64185 73120.9305 68861.89725 91066.42032 51568.02187 58153.59705 35036.98144 56538.24769 58330.22412 50933.39751 23325.15866 69623.18032 20399.27606 114685.5702 86545.61692 46355.35447 80817.64984 66030.92411 60657.59868 20985.81075 19969.45228 39112.05411 46606.39117 22967.79254 144702.8471 76702.06695 116021.042 61360.51903 83128.30825 69506.98559 108760.4525 67905.30494 82028.09971 53696.90933 49473.50764 104484.4186 44841.5737 50085.97752 68759.24913 92916.01635 58318.39993 39242.87336 49890.15884 121999.6323 460341.4227 321349.4551 411354.0125 322135.7861 58726.9606 54661.78991 85257.55586 65478.38428 66936.39891 56650.40741 62522.93286 55292.50744 72929.58248 455.6499252 496.4149314 481.9683409 402.4890034 477.281688 474.9339143 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 74715.88661 25163.76703 27643.1005 50874.56853 34582.20505 24463.17768 97517.22719 70161.24759 67440.76402 83234.95059 53954.87512 32907.21487 10001.08146 36265.72721 18465.46016 55822.9749 12134.67981 60861.03975 17785.9155 158326.7699 81823.73881 26029.5104 114732.9265 73203.33022 74686.72713 8592.390427 5595.17585 49629.9357 32796.60837 20056.56177 194375.5933 77985.5787 130271.7347 75629.59667 95948.53897 66911.48952 129120.3776 76239.46796 143082.9971 86352.54662 88241.69933 122273.5399 29197.04578 74040.86766 71718.36724 116092.5375 95220.52124 24050.2205 66979.25829 146890.4494 622111.9402 527015.6567 897646.7673 663294.9974 96099.7192 97595.37921 88539.01767 87291.89996 79408.38047 85985.98658 85087.19974 76093.39446 102183.3786 394.3047814 403.5609565 430.8101871 359.7891739 407.0463189 404.8346363 TG(55:3)>TG(18:1_18:1_19:1)_and_TG(18:1_18:2_19:0)_M+NH3_feature3 121573.1458 75714.42223 126782.4321 90310.5484 98777.03467 95671.97377 150906.183 114832.924 92559.20183 139304.4308 94460.11128 85588.90329 53094.45207 136645.3322 77648.3864 97756.73777 51288.32229 111958.4576 71722.87936 327916.0423 157278.4342 104786.3929 226630.6177 177994.3387 137408.83 42710.59221 36192.69875 96613.97938 94577.57386 61701.33311 377651.3098 128641.1761 205117.0319 129700.6553 140808.9183 99445.4801 249427.5307 73293.82105 249431.9639 169362.1063 139102.9127 206055.283 85700.8124 124946.9153 162804.4734 224017.5862 148054.8057 48858.56573 124409.2644 214952.5687 1085160.625 963593.4377 1947251.338 1321506.839 185042.4367 187537.0161 142674.6953 153525.5686 151784.8752 155796.1981 208309.7095 117364.4682 226809.316 503.9667782 811.8831305 626.5746067 487.897666 538.55635 506.3842272 TG(55:1)>TG(18:0_18:1_19:0)_and_TG(16:0_18:1_21:0)_M+NH3_feature2 69726.3818 33303.26327 52149.32667 47281.15876 38292.3943 52924.81468 69330.10319 45702.89038 46711.54149 52479.7071 36911.52221 31667.92613 22208.67095 41544.04732 35239.02179 38404.04074 25484.43976 48166.2387 35237.4196 60588.17135 67779.33055 51772.92289 85747.44995 58426.16023 49323.32141 12621.61356 14728.61573 33837.32045 31794.45954 31563.5824 111432.0432 62771.76319 83900.62495 58719.49892 60939.92775 44827.25552 70107.20443 59949.64439 62131.01475 68301.70299 40464.87472 54749.35352 35017.12359 37496.78137 51339.65475 46635.99384 42467.42716 25271.46732 54816.6582 46014.73425 159860.7912 127595.4699 378631.3479 273600.8473 59688.31938 58484.24673 55600.65629 51916.45039 54884.01593 53118.05589 49932.98657 48656.41599 63298.56385 372.4341739 2914.936426 853.097308 358.2514566 1143.141068 2321.953944 TG(54:8)_M+NH3_feature1 56184.65944 29728.51003 34527.63516 37590.94602 43993.43071 42764.05996 46743.60354 41516.27672 47067.45003 55529.34883 48991.30282 45611.42569 32674.89449 53970.22357 41604.70758 69429.30028 29626.58682 60725.1385 34047.91346 147877.0809 64188.47571 50451.90927 61457.63515 41670.56806 48501.02472 23090.90432 17837.71786 52701.54585 66378.92017 30480.89343 82833.72362 44170.2891 71048.61496 40803.34268 48031.24184 38552.71266 61890.76985 37065.25666 81873.79964 36611.29356 79181.44719 93559.52909 31026.44854 45434.02206 44649.37237 96203.13374 56188.13622 25677.22792 50995.70421 156348.3474 257017.0067 199220.8789 190327.7075 177994.522 60389.28731 56559.44224 57813.41387 53438.08576 60241.86539 55648.06174 58145.27 51800.59802 59402.99014 456.5180607 553.9897228 570.1606466 423.6490606 578.4820616 686.8942363 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature2 207644.7509 90628.57907 104007.5532 106166.7292 147510.9522 170747.3224 167440.6983 123833.7532 170271.7087 263680.6403 254033.728 252003.0257 84620.39177 160713.2172 117543.9545 343853.1564 47142.45032 338155.705 78554.27306 902654.0521 280055.6707 148995.1353 354194.2575 171533.8726 312672.7914 68641.90569 41229.49164 231423.7965 378887.1631 84766.76541 567280.5227 165968.4822 415068.2141 134148.218 205452.3187 199219.5683 416753.675 151734.3686 446455.2221 103285.4787 611158.5091 577728.2058 82889.54441 385666.1876 215737.6316 588873.9933 505684.3168 162283.6955 294374.3901 922355.9725 2751161.807 2593552.993 1349486.372 1188902.896 406280.6238 362109.1136 269997.9804 429560.3947 253741.2815 445009.7759 336703.0999 232822.2658 354984.7577 275.3349024 690.488994 720.1851133 270.0380469 342.2804215 397.3502699 TG(54:7)>TG(16:0_16:1_22:6)_and_TG(16:0_18:2_20:5)_M+NH3_feature4 411186.7886 249391.1853 283474.2475 401967.178 468024.0308 278304.2845 403294.6877 539468.3491 388657.9526 384863.0468 360647.4053 374080.3896 368684.8034 434120.2582 442173.5902 440734.0281 213869.5051 391213.2136 306172.9682 706351.6894 724999.4264 477041.9247 581688.6829 591562.7542 228358.3622 247648.5098 172735.3373 303926.256 362343.6057 247674.6833 678872.7724 492477.8508 300124.7527 389409.6849 449170.432 281261.4182 276316.4416 515828.6321 510938.1697 417183.9075 362289.9576 584645.3514 256860.52 267445.26 386389.9478 620236.2089 398272.5952 222615.6291 433600.3788 731391.7349 1012980.603 1004830.679 1461672.132 1308941.242 402828.4793 244088.0385 426469.2614 456231.7121 339791.5128 331831.3314 235284.6698 347577.4865 353898.4241 372.5147159 442.64831 445.9381457 378.3108499 445.0090396 458.558264 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 3469988.557 2042541.773 1842981.268 2234279.068 2361717.354 2061951.723 3950702.906 2860196.499 2974230.852 3391858.144 2787330.48 2817848.09 1699416.828 2967631.532 2118466.459 2825425.449 1233482.997 3225402.039 1847095.628 6897156.509 4433675.893 2952157.351 5250249.264 3481382.705 3710006.948 1064631.725 705855.6586 2841113.219 2900160.33 1477461.083 7557409.673 3198568.662 5918685.777 2990911.408 3207345.063 2987725.033 5733122.985 2818703.71 6039912.007 3393058.356 4591297.423 7081112.887 2139448.49 4070262.038 3413308.474 5242330.239 4337164.942 1774600.456 3269841.413 7828205.923 27800710.16 28089812.62 21954853.54 21703951.8 4401191.884 4202693.088 4213822.193 3951767.875 3977154.969 4067218.963 3833779.169 3832835.257 4089350.59 1789.7916 9005.642486 7391.723256 1736.570106 7921.104751 5961.688317 TG(54:6)>TG(18:2/18:2/18:2)_M+NH3_feature3 12245.92304 7364.653984 8023.564768 8006.854312 13318.7148 10035.58977 13297.41754 12209.72921 14151.3298 15653.14534 10304.99616 9920.10167 7919.351813 12020.70357 9355.258754 14650.26303 7161.072211 10898.48614 9236.368731 21375.97111 21913.92374 13731.6515 21225.5679 13246.46885 13195.63847 5880.675576 4831.268664 10985.00391 13208.01556 10849.62419 25050.58855 10734.21787 19138.06781 13507.81289 12018.70416 9277.101633 13001.66301 11782.23757 19085.51904 10612.00119 14265.18914 16862.82183 7622.578757 9321.684622 10848.41858 18453.8061 8834.333321 4634.752433 10269.13958 23131.95951 37083.50325 29190.94586 43046.11339 36349.81143 16587.37065 10231.7159 12814.95269 10479.99306 12906.33321 14300.11079 14168.45389 11946.25357 13649.88605 159.119647 168.261542 174.633249 156.151118 173.4298688 180.2002722 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature1 33846.35465 19193.68731 22304.83539 25128.09303 26646.69022 25920.4577 36831.64178 26422.357 28926.89003 37010.23476 33479.26646 29154.02322 14906.66077 27460.15505 24504.02005 36187.96506 14509.72723 38670.70674 21503.4292 81473.639 51320.34799 29763.46229 56344.88204 31591.7678 38010.49701 14315.02182 9686.650756 32633.45681 41876.27217 15409.64765 78855.32759 32035.93869 60337.24026 12864.04276 39715.93411 19048.26962 59783.13196 24302.26844 64573.70157 32960.43065 51285.43553 75523.21974 23192.53942 38385.22646 39594.15247 67228.27596 48509.0718 22599.40372 48515.54928 95011.53141 291183.1249 288948.4627 197231.8285 162861.2165 45505.83715 45734.98233 48975.45125 42572.74204 41986.07477 42619.83048 42632.99218 36585.877 43694.6676 418.8658121 486.2902383 474.078486 410.8077285 520.7097447 503.9282772 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 3633005.503 1851247.547 1675802.496 2718863.792 2439750.634 1814362.145 4216477.712 3839476.494 3389017.375 3840586.712 2649475.238 2738104.792 1635720.321 3191371.139 2575983.217 2337564.957 1219732.677 2568495.756 2006639.836 3713480.249 4436633.753 2556621.294 5360817.501 3726948.244 2836115.847 1490679.498 1078279.165 2263196.282 2362295.846 1658380.474 6689120.663 3950330.625 4379021.036 3588499.01 3887854.977 3442728.264 3824655.413 4683764.06 5512196.781 4036561.922 3864061.52 3431019.245 2485272.861 2442969.042 2846667.312 3778725.2 2591686.026 1791475.599 3803758.799 4685001.452 7105884.298 6608802.313 8067520.113 7198262.277 3328039.362 3474983.41 3410063.409 3233267.735 3142388.94 2979432.81 2941031.219 3137239.399 3209328.594 295.0725345 363.4750528 330.5920176 282.3491022 625.1793499 327.8919642 TG(54:6)>TG(16:0_16:0_22:6)_M+NH6_feature6 1916496.836 1633943.624 1725082.019 2326715.689 2544546.701 1962521.345 3250003.819 2884881.384 2573202.972 2928416.588 2466705.24 2781721.938 2323452.362 2572572.68 3176674.385 2823320.039 1653369.366 2397434.295 2458674.731 2588339.495 4056239.792 2877087.963 4851898.384 3945030.313 2514057.161 2091630.744 1569223.733 2144300.006 2707915.522 2070050.437 4339926.111 2731494.297 3532943.876 3151699.073 3569956.336 2664510.238 3011405.89 4633318.371 3773835.257 3528230.258 2484419.679 2782477.271 2130593.058 2040184.402 2911824.765 2713744.649 2016189.62 1706431.046 3216987.819 3093137.076 2555612.76 2305092.44 3019273.65 2599480.132 2935152.849 2729374.661 2756107.087 2686904.844 2552542.74 2744332.137 2404627.095 2431640.211 2888784.661 451.6960948 1159.252356 922.54773 427.279256 1022.330037 1052.064972 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 5661564.574 3184653.921 3009904.116 5182324.507 4591670.426 3487497.133 7130860.861 6908702.203 5950544.072 7045385.774 4479513.379 5090646.186 3073946.68 5932956.16 4911571.754 4032204.856 2462383.204 4076781.767 3980848.504 4970130.301 6950751.324 4323502.882 8677697.535 7441372.9 4624474.927 2714739.127 2109234.076 3684985.411 3916594.879 2954043.408 10361951.03 6306598.781 6754409.736 6280259.667 7344346.523 5466220.336 6048448.838 8540886.91 5516643.243 6893338.586 5258448.476 5371151.447 4407988.683 3939323.691 5269996.499 5903370.98 4007735.083 3345916.534 6143160.619 6162300.963 7740285.284 7076874.188 11324649.63 9895891.519 5938299.098 5451878.914 5185850.081 5325119.005 5185146.794 5204498.855 5087179.071 4920062.735 5434573.35 468.6799196 1287.179597 1782.339252 371.745285 556.8501984 950.5311112 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_feature3 16473.99594 17327.19937 1968.009387 19840.35675 4159.630618 12638.98347 28715.03858 23386.41168 20537.30137 19942.73735 17274.39867 19102.93949 28194.72947 20337.9 20668.79773 14620.38142 12347.82452 14270.92547 2777.631326 13292.38116 31799.48825 4900.960208 52487.07917 4481.643208 3311.160482 25557.69673 69067.85203 18223.405 2623.158905 16670.00714 6361.23804 4688.860476 25445.22119 25770.33531 29857.6128 25893.44569 20583.08351 41647.93877 34814.87628 35213.38525 4295.291057 15921.51965 24154.55938 17064.78911 27863.99459 24766.27316 16503.82204 13964.33486 4013.092319 2751.144334 16052.3595 15476.21844 20024.37527 17007.85184 20878.44247 21816.47774 20509.14235 20726.63327 20347.7227 21088.56494 19566.3169 19998.38882 21937.431 107.465059 131.4145296 121.0958238 95.82513742 136.7198026 140.9735488 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 11225599.4 6567862.451 6003865.572 7587489.798 8525065.871 6359046.419 13732441.44 9403524.186 10277302.61 11258958.35 9202962.724 9481576.099 5679130.802 11914821.2 7183292.657 9135388.997 3785937.645 11455959.03 6018773.229 23090603.95 12888536.33 8261722.827 16691169.99 11625766.15 11297411.44 3520735.226 2507144.246 8952040.274 9639099.873 4547103.97 24450308.16 11107233.72 19474984.12 10162442.15 11738629.02 10187081.27 19275832.77 10696347.12 20813781.87 11416492.64 14762610.16 24268858.65 7890476.907 14436851.05 11277205.75 18459225.68 16578105.18 6481194.816 11264652.27 26159818.43 75923043.53 73911425.02 66638135.2 61429745.9 15284697.37 14644049.03 14436770.51 13496994.49 13768657.53 13540984.48 13248474.81 12802379.44 13982268.19 7569.416797 31796.6181 40785.35276 6467.033145 35627.67749 39950.67656 TG(54:5)>TG(18:1_18:2_18:2)_and_TG(16:0_16:0_22:5)_and_TG(16:0_18:1_20:4)_M+NH3_feature1 23076.77868 7883.853972 12319.64197 10586.07836 15514.82632 14064.2447 22031.88863 15260.84155 19741.59778 30758.19942 25397.05334 27406.02709 12322.40282 37558.66397 13395.86195 24749.95815 10525.91989 54736.78017 23414.44104 74808.09384 20365.58388 14682.28529 22911.6153 23738.84803 29271.69274 9215.9941 3721.157533 25899.23124 32650.69238 8270.312735 57026.03259 19017.40529 52353.47635 15156.80103 23821.81931 21049.36604 29022.10224 19457.89457 47923.54195 16141.39354 55238.01287 80628.85428 19639.294 31841.74399 17373.67893 86561.02437 43817.29484 22414.79566 29456.5948 99465.94306 171043.6635 198362.1873 185005.0367 200490.4264 25230.59989 31359.85648 34881.25153 42768.55822 31731.40204 34764.88018 36010.49951 28999.34615 39725.01436 158.3021834 167.3971127 173.7360855 155.348905 165.4997697 180.8750881 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature3 4004893.063 3873325.734 4007481.081 4925806.875 5169991.402 3607205.637 7377562.293 6039896.482 5698930.881 5376388.032 5103013.111 5275968.192 4541589.085 5567484.884 6351001.07 5561413.7 3550373.997 5005287.181 5223054.484 4568138.974 7694958.549 6271514.274 9825470.581 7661767.807 5185716.154 3855958.084 3209270.944 4666676.631 5900797.14 4316632.727 8063793.894 5086220.93 7145269.284 6586934.175 7390887.59 5792594.777 6579149.055 8031305.992 7650153.862 7583762.47 4973645.639 5915220.322 5110915.528 4953710.483 6252298.331 5370149.613 4398257.14 4575479.248 8091931.014 6313432.116 3948310.856 4590201.411 5038118.926 4539717.54 6293919.781 5705058.108 5903737.818 5284794.79 5683101.936 6160188.967 4891826.485 4962035.534 6005707.059 994.9611654 2722.581333 3006.719815 924.4431372 3007.527996 2740.708734 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature2 21593.0752 6310.517888 9298.942676 12274.00023 13848.41266 9518.272567 23283.47047 12267.77505 18770.67526 24343.14918 24502.92893 27681.40308 18654.9906 44937.47981 9394.793556 31408.06992 6633.105235 51926.34279 233266.408 54178.47108 18394.86293 9359.788207 15514.95302 20466.41451 20094.32484 8411.101437 3036.261108 20758.71238 25923.33389 10457.28898 50178.41963 14073.47091 45751.62605 17119.77211 16614.1171 16904.11722 37515.73504 15955.80807 35848.96694 13385.39715 50539.51147 80141.00491 19008.84427 42269.07769 16983.42208 91453.80211 47377.73215 18563.47289 22353.96665 87763.85125 169622.6189 145031.844 248998.5523 295257.7112 21270.15926 23298.94728 34260.2244 33144.91319 35376.47838 39361.83965 31597.66269 37777.89659 37224.31017 146.801404 169.4875886 179.3097691 139.9887499 157.4315225 168.7883853 TG(54:4)>TG(18:1_18:1_18:2)_feature4 16210791.39 8090163.09 8755274.082 10258716.39 11883447.56 9130150.107 19569292.4 13311871.55 14340503.62 16350401.94 14911478.04 14012059.23 8214166.096 18911151.1 10601964.48 14951714.14 5827478.598 17988985.75 10170871.82 36854784.27 15933827.1 10674033.39 22540259.05 16247300.95 17090823.06 5365372.883 3593360.777 12700953.27 14051574.44 6477262.142 32747624.35 15223773.44 29507677.09 10969207.64 16846220.22 14789013.7 26872731.27 15451316.96 20404726.89 16161146.56 24069353.93 36506550.49 12753971.73 21231891.18 17118812.39 31749691.08 25947662.53 9998749.61 17920860.85 39463259.45 79996962.57 86752813.26 98020209.29 68136248.75 22242501.24 20858523.18 21220033.47 21681402.41 21188012.02 20468484.26 17653436.6 20418157.12 22724516.21 11781.52741 61837.93896 64916.68079 10373.12172 59188.97434 57918.87266 TG(54:4)_M+NH3_feature6 2181350.631 1037594.353 1006052.939 1177582.22 1404478.017 943757.3595 2584062.336 2281387.21 1624439.641 1862778.386 1790794.731 2123555.357 1663885.797 2770226.148 1852812.324 1558402.908 637146.0506 1454034.785 1648818.873 1651111.123 1858627.033 1070438.122 2676198.972 2084800.679 1561911.475 840219.9832 739225.3257 1110035.103 1489533.242 1055461.09 2950925.59 1926220.426 1897384.483 1847613.646 2096692.924 1600291.354 1539678.899 2582508.098 2601585.383 1731078.082 1820545.464 1847909.187 2031342.115 1615996.815 2114064.41 1941350.374 1504721.845 1254718.143 2444201.201 2080154.926 1927225.433 2013073.36 2185394.562 1290402.751 1862082.286 1954791.56 1948505.213 1883742.653 1746807.78 1742596.426 1802614.494 1670196.244 1941985.314 336.8194419 1191.278467 665.0152965 324.6044551 340.3734863 504.2568826 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature7 75144.02582 5512.52673 32715.44132 40257.25993 39579.77085 33015.88442 7001.535714 93826.75844 2435.871912 86790.75715 81464.86526 92648.3767 17472.09698 89831.61544 97353.82546 67590.34892 46336.63449 68082.58993 22912.08706 65967.68972 2496.260506 39912.85176 134219.2978 108585.1272 74489.06543 32232.65584 60721.52896 77934.43244 68114.1492 51635.6859 24765.92149 84050.38068 90128.42954 77910.10432 109500.9513 82847.46248 14417.69599 116441.1203 100158.4641 103560.9733 79363.61483 109388.6121 76163.29628 71689.51351 108818.4459 99745.7655 60174.57616 69326.79098 19567.96817 89170.65384 45066.74494 49276.34982 32948.18107 27130.25535 76478.07783 90333.28527 92600.2955 86034.76858 71891.74713 78632.44999 77393.40155 67951.09608 71517.2564 121.3651062 120.7253737 126.3828274 118.8682779 119.4732539 119.5011018 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature5 6382472.269 5211370.675 4768017.057 7834918.352 5257711.236 5281957.504 9531197.7 9886545.122 6899055.271 11057679.07 4971951.304 4969093.087 3413226.523 504399.4007 6826005.339 4456118.844 3413391.007 5779229.002 4262056.175 5573036.741 9989355.303 6625578.833 8824069.25 10523543.94 5305395.163 3750860.728 2241350.769 3696913.312 436686.7689 4226410.786 11356000.93 9466523.334 7570215.063 9057107.691 10179958.64 8452508.87 8694521.476 11453562.35 9004235.872 10826034.96 5734650.422 5713331.22 4694718.963 3860107.453 5335093.16 5271560.325 3877711.836 3233184.075 5908388.346 650584.6372 9105708.767 8478001.505 15466140.75 12843272.83 8847985.997 5779207.628 5881989.096 5551406.194 5376260.999 5918053.675 5191594.091 4743227.401 5582638.355 237.3852049 270.8325795 239.7754475 220.8645221 456.9177797 238.7657569 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature8 3471501.463 1144277.814 1329120.469 1738171.349 1969171.106 1233747.042 3561819.839 2511671.837 2447332.977 3043810.91 2949137.357 3303103.535 1495899.784 4956006.001 2007069.925 3344493.231 964676.3468 3374594.7 1665226.211 8204233.813 2398021.44 1187269.111 3480661.401 2982095.018 3676361.597 586880.7863 530745.4888 2041815.803 2978789.935 1199751.857 6544465.984 3147481.168 5744692.252 3098523.655 4100466.605 2375442.969 5405963.693 4099114.125 5219168.961 3235867.908 7450605.821 8803398.227 2685071.182 5871911.632 4725930.512 8042028.336 5957132.928 2362220.659 4069561.278 9245825.563 21025973.55 24034363.23 41406018.09 35916265.84 4485796.577 4845008.287 4266039.882 4059015.079 4374431.928 4051385.022 5223549.714 3576202.954 6032785.606 8283.76532 143051.5312 149755.5068 5587.887335 137628.6634 137961.7398 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 7030999.585 3970342.584 4247968.255 4998924.622 6322307.524 5062362.748 8303612.592 6792536.648 6764809.136 7906025.052 6506429.104 6889659.699 4052731.503 7032817.052 5765748.122 7538431.675 3169219.397 8684881.707 4726696.112 19888650.29 6870514.679 5096398.58 10121581.41 8228622.909 7054115.152 2675696.571 2050239.449 6677667.687 7359595.865 4220934.399 14797916.31 7530212.333 15333725.85 6900142.394 7341288.312 5710016.908 11976368.36 5401371.556 14784924.41 7411099.75 9399866.161 15308671.62 5479377.435 8730714.648 8178843.838 13534166.93 11923234.31 4040619.435 9014767.281 20161477.19 44249690.48 42148497.19 50961365.64 50036394.4 11170182.36 10730990.15 10731686.75 9384442.763 8496174.783 9149439.789 8654211.037 8706468.427 10007045.53 3918.07319 5625.838754 8169.199034 8724.166348 3275.453687 3091.984162 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature3 4941555.881 2396336.503 3079104.003 3000583.687 3414669.557 3133828.713 4906438.468 3772959.53 3860813.143 5189384.146 3825605.162 3793420.613 2561271.971 4625113.742 3637259.677 4842347.567 2131128.621 5654541.376 2972120.37 11800374.97 4098896.405 2997361.887 5505688.471 4456102.654 3590064.177 1598188.756 1386938.712 3928588.156 4317293.925 2880366.485 8901976.376 4455281.314 8595613.476 4379078.403 4428759.574 3550953.098 7961976.024 3600879.146 8153308.948 4513460.671 6632794.105 10564690.17 3419907.105 5597402.939 5502683.975 8874882.928 7332731.759 2259238.285 5595898.525 10346234.54 26997523.39 22379726.55 42772464.16 38228331.57 6463681.441 6517039.433 6242131.49 5557836.108 5483062.511 5324322.765 5469897.43 5017813.568 6680573.883 3555.735144 63515.36482 66579.9816 4883.682259 64462.80481 59865.88997 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 746253.5176 333401.5906 447073.6082 391861.858 499129.0271 536082.9695 621147.2641 494470.9273 491339.4675 9591.15058 438129.137 456120.7057 300034.3082 547995.9485 478246.3552 643444.6574 286103.7839 798279.5415 418183.9098 1471076.36 614097.5851 493939.7387 911404.2234 663532.1553 549886.201 233251.2316 210288.5969 515989.3259 585046.2338 442527.3001 1318741.877 671086.9803 1128375.9 672854.425 8189.584079 467872.3793 993861.5536 560703.4427 963168.3029 668717.1655 767773.277 1111181.356 436363.3709 577898.8308 684083.9673 940424.0857 738274.8692 330315.3301 807430.8838 997224.2008 3672868.816 2940278.285 8524621.357 3392259.215 871455.2911 860692.2074 812647.4892 735409.7174 719471.9155 708511.2806 728880.314 704280.2796 970703.605 674.9552647 16920.94937 16890.70676 762.3500208 16703.27884 16094.66558 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature1 55891.41679 21974.54956 26987.6488 31330.7509 42403.66303 31381.45342 72591.74798 52751.143 54746.565 66360.91506 28543.63146 48239.97161 25777.13019 51042.88324 31931.3135 57886.30639 14910.91294 50919.96427 36999.7557 123075.2288 64840.55516 53002.37595 99199.58078 60413.47398 56536.76238 18270.85487 10960.26956 44402.625 24341.63535 21583.49229 156072.3757 41186.44261 105967.0151 28465.89069 70544.04276 35958.00868 93464.8882 30130.72808 126297.6818 31551.7707 79747.86723 121501.0844 36338.55173 66688.2442 53802.1723 105397.0321 79165.3741 28095.9603 57965.06991 152728.2172 595841.4393 579904.3578 512998.1935 476264.6978 70419.61529 53024.50526 64755.50113 72317.93215 73405.90135 69267.38634 40879.8265 39463.69372 40192.52727 491.3714643 436.1009475 431.888468 380.6451933 431.4438346 445.9363022 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature3 183059.1309 93462.64037 93191.06675 109015.6593 127450.853 106148.0346 155235.3379 162164.3051 188772.0864 195061.343 120617.6564 143809.4538 67608.57149 79480.30646 109290.0808 149995.6741 59959.75734 236773.5141 94556.22053 439802.9682 206457.1114 132983.7509 287132.6994 188661.4544 201368.5542 56192.5808 22573.86738 154892.7175 147098.3899 84255.69572 380581.9778 187118.3378 371715.138 166927.3274 195568.8397 165885.4163 328303.0443 94855.67863 402799.219 209820.9083 238395.1119 402132.5514 110426.2394 151384.9193 197579.9645 409520.0509 433673.9489 97400.24595 175097.3786 268888.4011 1427826.162 1394685.128 1143820.178 2016640.131 254923.1484 274300.4929 239618.2321 226641.1569 136163.0955 226130.7769 241027.1094 171438.3739 232021.1417 712.378826 877.7260709 1724.425347 772.9774832 688.611414 871.3118846 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature2 94589.24484 27341.48172 25898.01434 44522.0564 63249.86803 41673.28529 139622.3452 51065.55334 83380.63593 100869.7276 75734.96003 74137.62221 39537.58576 172535.668 49892.81178 77713.93673 53309.94819 140222.1246 31666.51572 222156.2979 112446.0193 60410.08435 142205.9866 183388.5413 97130.47125 17599.94196 8377.556844 37778.91865 70208.5711 23414.18431 338151.8613 99025.32807 189772.3368 49806.24934 86646.78141 65456.37674 157986.6971 137869.9525 224432.7867 84458.70737 148534.4796 256839.9317 36948.9848 162848.2686 183660.8245 398551.286 252128.8872 96289.94321 104146.2597 429371.7844 1222113.609 897938.2556 1245983.537 1096363.212 102283.6057 122202.476 141013.6374 106793.7692 181905.3465 113786.0458 112715.5504 124132.9207 114297.4672 261.1276692 388.7848494 338.1057472 244.9525273 384.395295 584.9908997 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature3 45473.17158 32733.55241 32499.16014 43217.17771 43891.9795 38033.08267 45041.0162 39438.23898 46557.59175 57844.93628 47781.78011 42371.75251 30571.20421 50226.72782 49343.92248 47051.45172 22911.66087 51141.71856 37530.74394 92540.53203 46159.61688 40409.77011 59277.19388 49853.34758 58352.34941 25609.63667 21975.69406 47091.04877 48803.86422 33795.42445 81313.65072 46456.5355 72822.69724 48023.48186 59152.297 39946.89475 61382.18552 57277.46503 74664.96549 48744.39245 73164.96668 72286.04441 45700.98474 53326.60028 51108.97225 58640.99082 52601.46401 37395.76531 59570.52197 82060.05276 123147.6399 97090.69845 126499.6338 108456.0096 50267.42289 55337.73861 64299.38921 57077.72007 67505.47142 77802.55679 57727.1715 56362.61621 43278.59543 346.6351198 462.1990867 391.8339214 322.0982385 377.9921547 366.4706954 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 288355.1063 131566.0476 153318.7922 168426.2923 190692.2317 178646.7952 319116.3802 228563.902 226240.0077 298275.5525 225736.9706 238340.2911 120233.2756 235911.6359 169113.9407 253769.2182 99145.66105 289997.7516 154328.0271 801464.3678 292091.6127 179267.4736 417498.1343 286312.6295 299091.1827 93416.59461 58310.12682 232870.984 230199.048 112680.1942 721154.3693 277234.8703 505833.1247 253448.8236 267158.7746 232886.5246 498713.7081 233520.1873 620248.8114 259145.779 419014.719 689934.7614 180887.485 364558.1787 286619.7972 494977.1415 488093.1979 163151.9964 303557.1804 797664.4304 2449271.068 2147435.875 3103978.038 2410988.642 388189.6496 382681.8509 366622.5796 357560.6348 322631.4659 330558.7827 337228.1912 284859.3893 401124.1055 382.1112527 1618.427908 3560.650079 373.5032081 2210.231776 2726.302734 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 84735.8236 30213.5811 50129.67462 33671.93285 70160.63252 48267.75694 105401.3219 66706.40204 83170.38588 82262.92166 54525.31371 59299.91704 20897.55324 80272.30817 46669.95031 54998.46858 19439.64004 68918.6058 31759.28623 136940.2799 95796.87085 56688.33702 132424.4769 84164.70024 86430.76803 15707.93164 12613.3385 50496.32923 51112.99946 27757.89576 227689.1543 77668.57132 198610.7065 82455.89513 74474.77745 82917.5771 152969.1997 85201.82834 226300.947 68241.65759 105052.975 200942.7634 59743.61728 102006.3812 93693.76105 201119.1746 124032.5157 47492.09116 89660.9525 234738.7275 773513.8458 683784.278 986097.8822 1096771.911 134397.578 128838.9853 133351.95 114867.6064 112768.2038 96431.45497 122611.3053 134267.8649 132491.2949 279.1324692 1997.777038 1229.523709 265.1475196 398.9426723 625.6458691 TG(53:2)_M+NH3_feature4 381499.7824 169733.4988 221792.4569 246401.0246 272613.098 266562.1939 379612.421 266303.1139 227005.1786 286880.3499 278039.8303 278613.5578 168454.2675 345872.8694 242024.221 336240.3403 107426.659 393907.9998 174166.6778 1057465.772 350702.6241 190640.6618 555056.7226 312962.2195 380969.9428 124957.5224 74395.21336 281551.2687 321418.9299 148873.4747 568954.4001 357225.339 662050.7893 332189.8266 315692.6536 243225.4778 655934.8635 331053.5408 637964.1475 350427.3607 502811.0384 712353.2731 266636.8048 424083.7775 355736.045 636072.1643 648450.3542 200685.4644 404479.4372 859888.5466 2313491.242 1940328.435 4275943.904 2605533.02 516553.1368 549234.3639 465957.782 441790.7973 387242.525 394527.385 370153.4701 381713.2796 533060.0455 377.357653 5915.723216 5296.360378 353.5752209 7341.02266 6611.989917 TG(53:2)_M+NH3_feature1 6282.9891 4107.108216 3802.149589 2920.637318 5078.817152 3220.967511 9861.53426 5544.735854 4674.749826 5796.923983 8893.383646 4116.30995 3334.135565 10143.81394 1580.180615 4682.491487 2375.011897 8172.714617 5004.019241 20654.15304 5266.195579 4272.541078 13002.0632 7060.190544 4442.301174 2062.062365 1756.1529 2910.355534 3130.142653 3462.75884 18038.17614 6196.002916 10569.25294 5053.588037 5285.909206 6911.10655 11273.15319 7299.762138 7513.099712 6544.776264 9384.782418 17377.81277 3204.485802 9189.267615 3422.395731 18818.55065 13017.30003 2683.214526 10080.52893 15112.53087 11567.43859 57485.46565 22822.56751 62546.24926 5228.326789 4395.70108 6728.674785 7883.110755 7170.505414 11026.5547 9222.361701 7026.307502 8087.129776 237.3793161 267.0476658 259.3562959 216.6002343 246.3169291 250.5209582 TG(52:6)>TG(16:1_18:2_18:3)_and_TG(16:2_18:2_18:2)_M+NH3_feature2 77147.80465 39031.20592 42374.27742 44194.97952 44588.11587 57993.00075 52265.2653 39338.75189 55649.63371 74897.08795 76987.80853 81626.31567 36765.93445 71903.25479 51415.77838 90258.33054 28968.81167 111179.3534 44059.0221 225205.091 57062.8125 40604.68954 95572.60997 55082.90518 78082.65109 24941.6811 14194.46169 67635.9465 98442.07371 40666.12316 175086.5893 60773.24809 134508.188 41949.68533 76852.91159 71975.79191 129672.0725 60741.09315 156610.5146 51984.11088 142140.2661 174763.7784 44042.2166 90610.30248 80560.06208 210387.1645 114885.3609 54793.74126 107128.0834 227570.7651 684575.7762 590574.3568 518775.7333 442413.8189 105351.9577 82537.63654 100408.9233 93495.17862 94589.07121 87228.6462 100004.048 87937.83256 89560.74123 362.387333 482.3759563 464.4602362 369.1937912 505.0760336 543.2540128 TG(52:6)_M+NH3_feature4 146877.3028 71708.92281 78330.44659 94255.99448 104889.9604 72033.79075 84664.03144 113932.7112 86185.91271 147184.4245 124840.0533 110550.2498 79741.08799 98425.70056 61667.17059 143544.3395 64027.18926 104957.1441 86875.96455 292156.2948 152036.4579 93963.08231 171635.0404 84787.3851 112064.7275 67877.96756 44782.37353 114537.7743 133927.0365 36084.65247 259705.4121 134873.1673 182443.7179 76308.98305 143895.8736 111607.2214 171654.0644 146680.3094 133409.1727 75207.46464 204741.6888 135906.3612 56911.36019 110718.3957 120834.2744 239896.7409 134802.2228 74418.78988 180726.1346 327395.9171 459123.7528 420713.0553 631833.0666 544134.503 154912.9576 151179.1993 105306.4033 95549.63955 149908.8644 149410.8122 143393.6366 131215.2444 159967.1426 339.2934487 382.6238713 401.7028108 348.1051841 431.31149 449.830823 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature3 351316.4302 148127.9928 177504.7346 185716.0421 278294.797 1717.187661 404082.2774 268879.5258 338831.4377 447948.4966 398083.9794 431699.4591 239166.0557 558057.1138 221492.7711 423107.1554 138794.0318 570575.2001 259282.1652 1075769.664 454128.5155 160201.4248 465142.7327 381153.9896 485029.4924 124965.4816 83649.16462 408274.6066 426767.017 167310.8386 1089639.382 342411.1137 762329.0727 325447.0947 366268.1122 340962.6382 711505.5106 366625.0037 928411.5257 358279.1423 692333.6299 1280906.656 252263.0778 593274.6264 419119.3642 1154449.53 630233.8115 290972.9818 418817.3879 1482581.562 4735189.366 3950584.678 6064517.665 6008384.829 603072.3161 606192.8365 654657.2062 621495.7485 510680.2682 518867.7329 562973.4883 550426.0769 549344.4131 314.7726834 748.2140067 376.8150378 321.8815147 959.9047998 393.011059 TG(52:5)>TG(16:0_18:2_18:3)_M+NH3_feature6 279012.4026 101890.0917 101356.9086 161824.2518 171167.8468 172299.9447 269303.7179 233751.4873 238527.3253 280179.6987 198516.2802 243431.1819 309712.4987 274054.949 164186.632 31441.83555 99049.07927 329369.5587 161641.4149 2206644.076 268221.8664 184955.4901 344350.6331 277016.9292 177905.6266 110698.6487 145816.6375 7040.84091 226244.7201 318094.5098 552994.8413 228422.1881 374996.6654 223285.3422 170702.4758 191038.062 311723.2073 352129.533 373116.0319 179711.1677 370580.0406 83430.42229 330388.7292 196093.6267 185960.8606 419928.1968 240274.7691 128733.4061 289058.8876 465147.2959 91251.86682 82469.71395 93512.95047 2974715.835 309912.972 265300.6599 244343.289 25045.32636 261602.48 265308.3342 276943.026 205240.4999 277400.644 339.0042999 459.2670288 364.0360412 320.843411 483.1511598 404.2191449 TG(52:5)>TG(16:0_18:2_18:3)_M+NH3_feature5 615365.4759 196344.5973 272993.7158 264564.3338 440911.8297 332642.7098 511339.5601 393167.3756 468027.6104 657178.5898 555055.6132 639049.4246 309712.4987 681193.5299 389007.9668 689099.1776 233890.8961 936712.0263 335349.5149 2206644.076 641719.2438 406742.6983 674220.5615 487530.76 647502.2609 193945.3953 145816.6375 786531.3139 669110.8667 318094.5098 1426031.804 457036.0909 1219850.832 454379.7188 460196.7029 428428.9696 957053.4419 258812.9148 1207603.937 275114.9714 1117701.811 2209973.731 330388.7292 854930.1879 530106.5198 1404445.492 1026618.604 327704.8736 705010.9921 2287223.771 6075413.501 6444244.972 4701126.298 2974715.835 769132.8285 781529.3517 786097.1647 1042255.771 731485.8745 747460.5948 767493.4156 702352.3842 763768.8734 362.6789563 459.2670288 525.8858427 350.3328051 432.5924954 1053.512523 TG(52:4)>TG(16:1_18:1_18:2)_feature5 11448255.72 6530507.286 6947561.65 8007320.52 9332495.268 7235474.504 12681799.82 9695944.456 10843649.39 11419521.56 10055936.7 11390287.59 6585978.588 12221483.55 8533385.646 10564953.17 5106294.648 14459511.19 7499191.731 25333083.69 12960009 8994347.375 15422786.86 11521698.54 12770539.78 4601185.965 3307333.408 10551515.01 11180367.86 5802745.883 24584129.46 11468637.51 21844478.55 10317759.92 11520715.59 10591136.8 19973785.4 9863031.659 21495250.03 11411899.83 18060502.06 25911677.13 7886995.067 14537018.89 11474847.71 20577193.6 18646676.18 7361535.432 12336794.09 29476211.44 72873982.23 74792028.77 72846923.21 65950294.83 16122156.36 15271422.87 14752510.22 14783730.08 14606721.2 15069865.7 13656835.78 14240991.75 14535121.27 4629.050056 26850.4982 35406.43948 5511.790425 29007.16856 25537.82357 TG(52:4)>TG(16:0_16:0_20:4)_and_TG(16:1_18:1_18:2)_and_TG(16:0_18:1_18:2)_M+NH3_feature6 1852904.533 857045.5635 882091.8241 1586501.136 1231973.456 908978.6696 2092077.919 1930512.125 1690802.01 1747334.185 1292853.064 1518898.063 941233.8776 1746055.979 1451219.625 1117510.314 607823.5643 1200297.895 1154850.975 1493507.022 1850907.885 1087248.097 2585229.582 2013071.204 1204533.59 856912.0066 664329.9736 955281.7918 1110425.888 893705.2041 2943362.872 1889895.868 2137642.739 1844024.632 1982912.688 1445976.12 1737561.083 2377158.432 2357244.997 2016925.107 1888784.777 1545277.664 1431427.539 1170365.925 1478357.56 1820245.452 1203616.417 941737.1266 1909916.958 1945289.08 1786402.119 2060761.324 2710275.264 2453595.33 1662863.678 1582691.036 1559488.311 1500990.564 1555653.943 1466514.952 1425512.211 1438371.015 1554604.7 320.4020731 315.7939543 1120.779921 285.153467 890.5204563 890.5874175 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature3 25603272.03 12155365.63 12878034.97 15532601.16 19274558.87 13794091.25 26995675.59 19824760.58 21643961.67 24727524.86 20958256.64 25787199.13 14047261.87 28201366.09 16595987.18 23472594.75 9120922.768 29306792.19 16195934.86 55024692.09 25290398.19 16180273.07 32167875.27 26383266.9 26355636.12 8888501.517 6399194.741 21521888.82 23502625.09 11291538.71 48855677.42 22670974.08 44927144.96 23355470.69 24817967.27 22439201.12 38345997.58 23912428.16 42898519.56 22584579.39 38225354.56 56979534.97 18740777.27 31367993.69 26186293.85 47111400.89 37905961.4 15702591.66 27783003.91 59811357.09 103205232.9 108993022.7 130699549.7 7043072.78 33329566.62 31948679.11 32218694.76 31197993.23 32091180.05 31547326.5 32349654.55 31295452.51 28137635.78 6710.434943 108994.9255 120878.5048 7971.554144 109642.6682 105230.6061 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature5 14048503.65 7901084.007 7741991.681 9611389.81 11399937.91 8655898.461 20531317.44 11922015.15 12186821.45 12275827.78 13407963.6 18383753.97 9609141.689 24089596.59 10603998.46 14787598.63 6236689.961 16956799.24 10342985.96 32009355.81 13198298.39 8991518.695 17991195.18 15779782.67 14248826.81 5856341.543 4063806.131 15304063.2 12935650.2 7770696.232 28732874.17 12737594.77 25954235.93 14175004.07 19174160.53 14162884.45 27775249.62 18298025.84 23414875.25 16875161.12 22229012.51 34034975.93 15392283.77 18515290.14 17995832.22 36295337.52 23015620.63 12703523.94 18187488.34 38108214.13 60019366.4 62626493.84 128682402.5 137304491.6 20235594.63 23350571.64 20372710.84 23966432.74 19573171.62 16465449.55 19189415.28 17118350.39 20320437.84 14157.23088 594436.0938 568189.4715 14125.41843 556899.896 553322.3479 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_feature3 5316770.059 2568132.293 3175882.77 3399768.63 3739278.729 3500111.87 5077602.627 4252289.134 4243234.45 5149144.727 3899628.63 4336031.667 2961619.561 5272151.162 4222803.513 4814040.801 2275941.169 5768211.373 3400325.144 10033259.92 4524096.078 3399099.76 6104250.459 5396313.817 4200671.153 2123667.301 1772610.236 3875783.619 4611692.67 3188677.262 8628092.052 4772889.801 8488628.882 5137105.994 5041473.163 3937962.047 6796620.569 4618916.757 8011308.087 5001309.729 7008385.426 10102346.13 4063804.428 5468384.557 5460867.561 8199343.125 6773464.116 2764398.093 5879794.868 9839560.114 17875074.42 17423771.71 39870469.92 35339435.39 7004109.88 6979343.712 6077196.488 5602323.893 5539520.33 5501441.187 5444643.465 5095173.374 6787113.827 6362.362002 217998.52 219080.7393 6678.465891 214643.2382 210268.1631 TG(52:1)_M+NH3_feature1 79014.25302 53225.00556 59121.04563 54921.22073 50156.45118 46488.76024 79637.896 65225.51705 76092.59167 72091.12708 56931.05196 57656.18789 68146.1935 90664.63545 42807.02117 80642.61615 50808.83862 76405.14746 65616.23746 81091.88013 80483.0388 66914.35304 62449.18038 89794.71014 57251.3776 42179.64667 21402.53488 47038.67206 70635.39389 58941.39902 82205.77581 75314.50998 114831.6418 81373.18741 55363.37159 87377.11843 85650.72294 81633.0757 92112.75626 77331.84149 94858.50968 98192.61295 69100.76659 70041.83418 43104.5087 114959.8033 88397.57543 49062.14938 57053.21061 111499.1098 69215.90585 143189.9161 67517.26293 198991.4159 32548.85157 47411.04877 69361.28884 88447.81039 72560.61106 92138.58515 92359.48064 91811.77539 95694.57475 348.6174985 375.3898078 368.4399239 310.960121 489.4809589 368.4921262 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 302994.8774 132919.3239 160555.7819 183237.6094 184146.5704 256989.7722 267316.6965 225003.1823 212575.4741 237279.1247 152383.683 173585.5275 126735.3614 219857.195 211894.9218 217815.4047 134522.4123 255871.1044 163525.9834 462665.3068 249489.9014 182420.3545 360375.0892 240763.429 226543.4087 101923.7246 89448.2667 199474.4724 214429.6275 178709.5186 437725.2147 230086.2278 379441.3416 263864.739 251849.8698 191507.2303 296626.3751 215796.5367 352311.5664 286068.2774 283793.8531 374812.6966 169744.859 186546.2798 253746.0983 281075.5478 233620.6897 121516.5354 281965.1583 342610.4065 1222507.745 883937.2608 2391902.342 1838383.586 288206.1796 289105.3189 278290.4553 269759.4295 253680.5211 262293.3674 256544.8331 276507.5052 359774.2331 8848.110979 134769.7371 136523.3418 6900.019572 128585.733 130050.4723 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 93154.89333 35894.29562 46926.76081 48467.61972 67962.51186 55812.68965 85358.96047 67820.96094 75299.88839 94733.77021 62434.37749 72237.88715 37279.77016 73723.98526 47841.77938 81594.9234 30562.4582 95110.73859 40573.70309 276828.5712 103428.4241 66457.61568 104937.0777 73362.45123 92020.95336 26517.97663 17016.31867 74982.26757 76853.61041 33949.37772 209194.6349 87890.02509 167060.5315 72217.92336 74286.38179 79525.03837 161717.5148 62123.17468 186955.3764 67213.94623 144390.9588 211276.6019 45175.38873 120240.4626 80810.75671 174928.7127 129234.1709 45246.74347 94967.39373 243879.5131 1035217.986 983150.1242 917155.4718 755322.7213 125958.6504 115556.8755 115491.9964 102542.4547 101325.397 107310.8554 104968.4667 107394.6917 121271.876 436.5889559 887.6370041 1074.175429 413.2003337 621.4247583 484.0755436 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 276962.6685 118683.1155 144400.3055 158762.6879 231150.5465 166801.0548 307984.6661 215562.6432 246631.0208 301387.6265 214008.0992 266359.6647 126242.9934 269833.2171 158536.1838 262150.4833 95371.05492 345612.3842 148469.808 839887.8086 298400.5692 185214.0024 394643.9859 292814.8076 324896.5039 89654.85103 51768.31322 238080.9597 236237.7187 116334.7627 768269.0736 280844.0474 575441.1884 249199.0657 260848.5251 252791.1617 502438.2885 233768.2538 639089.7501 247498.0776 435922.173 734977.1993 172098.4818 399090.66 261059.3125 565721.3525 466709.0971 177973.3019 310035.2152 948521.7775 2856287.898 2815438.506 3124210.925 2518157.082 397823.7732 388421.0303 384713.9595 369986.3947 351713.3005 361237.7098 349181.1277 356804.1613 374314.9981 413.9839215 5193.064156 4471.530681 322.3282574 5380.712038 6163.384378 TG(51:2)_M+NH3_feature2 271598.6964 108352.7499 152331.2499 145595.6061 191801.184 161472.5017 308587.0491 203593.8373 212043.9198 274618.6687 200194.2382 233135.1778 123989.5974 296270.4931 152645.2827 263920.2065 87029.52202 299616.7934 145229.903 734419.8289 304832.2221 156271.482 402100.7447 269302.9046 253066.6232 84228.46674 54243.96124 198026.5339 225272.288 108108.6002 738187.4696 255432.8014 501589.33 271934.2094 231762.0108 233897.0114 435357.6169 245913.4042 606535.4093 251043.024 357741.7252 708293.2799 178938.5703 302515.4233 256340.424 555042.924 412992.0364 155715.1592 270846.3337 812523.8283 1899101.61 1784020.209 3515993.674 2600506.751 339836.2976 374529.3234 362460.1246 344798.3172 307407.7399 299091.577 318319.2664 299798.0341 330020.551 402.1705097 11946.89481 10654.52241 366.3389993 12476.25022 12691.55997 TG(51:2)_M+NH3_feature3 100857.1145 42596.74109 77937.0339 86524.29036 109701.0406 92737.97078 154860.1587 93380.30045 60714.49432 129453.4039 104475.3693 76515.83225 43301.2453 117487.0942 53508.2625 74021.91362 31501.28975 149951.084 42979.51444 371104.2239 129770.307 97223.16581 176557.2471 136918.0814 138102.0344 47264.59873 31678.50359 114077.173 121244.8133 41309.86492 351571.1034 132691.1145 263914.0763 109845.4989 123780.3452 103081.5618 132591.1746 105911.0491 269681.2988 110696.8348 204814.3105 316651.0645 94935.97944 200860.2257 89749.43115 251730.9813 230761.1209 80333.81389 94170.97493 398337.9148 1175519.086 948531.602 1192367.078 722272.2951 125909.8221 112603.1608 173374.749 171758.7087 96992.2056 110655.0936 109899.5334 114427.5471 130551.7067 330.8063534 642.9179362 3677.035954 309.930896 12767.64688 12691.55997 PC(35:1)>PC(17:0_18:1)_M+H2CO2_feature2 37517.74335 33890.44603 21056.43452 22438.7184 28402.59871 30373.8709 41016.86782 28842.92713 27038.18572 56206.186 31569.97519 33657.87512 2714.239714 40939.78057 25653.19443 106900.6124 16439.87892 33367.37687 21768.17715 83014.80456 38912.15875 23783.67814 47872.52746 42917.75879 32226.03153 15168.16699 8673.369419 25864.02549 38956.798 20062.21806 70536.96076 42369.96314 57547.50842 39351.22542 54410.41814 25737.36003 47394.51822 34248.04664 81230.74332 41978.39468 97761.2389 52309.74499 61006.47009 92957.06053 42401.00792 54130.68696 46914.66915 22154.09386 58267.75745 70066.40896 200751.8335 134713.4106 579710.6485 222633.617 50309.36851 98993.23156 49208.9897 36051.48496 43901.94711 37150.48112 53769.90831 35351.59223 42400.38818 1297.837926 2426.551816 2990.25504 1531.036347 2530.479967 1677.305661 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 64575.93913 31315.4167 39749.56048 39826.69577 45962.67675 51716.79064 61987.66469 45371.15408 44800.3404 45706.71608 23127.11166 34706.26826 28234.87437 40657.41243 35893.77209 36283.01566 20481.64989 37904.26061 27341.32636 64268.82217 60472.98796 46943.33717 92522.43424 61705.71505 45931.57886 22128.9989 11586.52122 36797.17424 41883.94179 33453.03565 104471.2175 57246.11012 72909.10661 59114.01049 50737.69351 41148.53478 58652.2263 53112.19197 79620.28892 61360.72582 43017.68084 57464.25506 38609.53769 39761.44831 51661.28094 56241.52331 44712.3968 24435.89887 49946.27323 50898.07425 190412.4888 151582.5663 313851.2485 207241.4114 52744.0193 61566.05276 50986.83026 51050.78051 39157.41449 40543.7928 43835.78319 44640.94028 57682.98225 348.8270995 4995.340789 6949.448022 355.6477487 5068.774925 5138.564087 TG(50:5)_M+NH3_feature2 139911.2984 32399.69937 46440.89416 61127.71677 56983.5904 68767.42438 52520.90332 67251.90813 64857.38427 82323.52222 111243.5084 120098.3845 83899.10325 80892.73532 86915.59808 86184.21576 43215.12637 168209.7646 49877.89469 205833.5412 79419.05482 53145.1927 72632.05351 60505.85984 65734.7886 39554.63615 22949.49861 76714.76504 90947.13497 45716.26005 151460.8721 68423.44608 107548.8391 61960.95297 75817.7581 46130.22729 95878.7865 81490.38463 132852.8816 115182.5506 119159.2911 234234.4716 30136.00606 60790.57373 80141.66864 197758.525 84239.74262 37673.58834 110279.9102 234654.2063 586132.5517 532785.8709 611251.2786 514730.5706 97530.72289 97520.13291 88173.65707 74861.03069 86344.79283 83086.60341 91664.48806 89363.77274 64131.91839 664.228072 3381.259156 5018.488557 659.1593125 4086.177765 4240.636272 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 500518.9739 213491.7715 232507.3535 225887.5157 388465.744 341914.416 452370.4627 310829.6923 417355.3676 575503.8677 477553.9487 528849.5606 253511.4232 521579.5039 316113.0851 655342.1038 223749.2996 876683.8897 286046.402 1849811.734 502575.3608 308253.1926 591134.2197 424169.5138 563465.7748 167201.1002 90467.41911 528606.3519 672389.0549 250397.7101 1301635.507 394571.0039 1015811.707 427184.2905 407553.3466 428738.1757 860470.1436 323390.3074 1076127.843 358657.4858 984060.1664 1620379.869 273594.2651 681602.4628 516879.8833 1526073.642 891137.5064 333683.8816 619192.0096 2139656.698 5644552.696 5501345.182 7552537.217 7290202.709 826658.4193 767403.9486 824442.123 721752.6854 738606.4722 704366.5206 739059.4703 690092.3862 776601.6591 397.7065381 503.9805239 523.1618477 406.6883489 1145.643425 1452.688296 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature3 125056.0215 50992.00604 32677.30776 79167.75786 77856.91618 65980.4499 118965.6545 109670.9277 100260.1249 116647.3468 98689.44524 100687.2978 74315.12017 133492.5241 90069.7507 59735.79988 42777.33315 100960.5842 63862.76043 139377.3776 113307.7747 78630.75289 129050.0618 111675.1113 71301.31217 63115.25987 40937.53807 89531.68121 58377.18892 64643.8971 194525.8982 125050.8372 90557.23436 96908.66558 127536.1215 88835.53209 120994.7574 125227.5221 159116.3456 105005.1005 166294.3276 115301.4764 74372.48499 52216.2499 95827.97241 150963.5434 97136.48469 56852.73901 141488.531 166307.8204 268779.1158 249039.9215 414712.5348 366553.4589 111213.1427 126237.1709 116463.646 104084.1542 102135.8207 114626.0957 70394.37223 103349.5144 102351.117 320.7267198 347.7680987 1030.934807 303.5449841 430.1209682 738.3870949 TG(50:3)_M+NH3_feature1 8812.252324 2011.410124 3195.166507 2568.180648 4617.583792 3616.038715 4429.411068 3093.263112 4704.453054 10906.26315 9681.741043 6675.831314 3961.260739 10785.8435 4824.086396 12767.60077 2629.839764 20773.69851 5115.017832 43031.36786 4235.076159 3103.456959 5720.61077 3343.828692 7058.634187 3049.114917 1634.425055 7940.973665 11257.97801 3448.743403 17810.27573 4781.644471 14823.84363 4830.471582 5347.034985 5257.731958 14826.95841 2799.135245 20019.1866 4229.258274 24811.28588 30360.69513 5479.073121 11293.39791 6592.988293 31027.79082 16200.84173 6584.096334 13237.72845 44247.23609 80087.87311 82096.75832 209801.1369 198023.0788 9147.001919 14046.1837 13812.35872 18463.35854 12409.99862 14161.34407 13996.27026 14314.28016 21108.37866 187.6138542 228.1354257 220.8965438 176.9898135 219.9688469 226.7473683 TG(50:3)_M+NH3_feature3 2554545.548 912650.007 1254748.405 1229348.204 2047236.784 1490456.991 2436174.943 1657666.35 2128260.758 2654163.987 2564776.541 3224847.169 1663858.954 3684076.845 1637368.111 3156453.058 1068391.583 4985277.55 1893013.539 8919716.869 1978215.881 1279243.07 2212835.172 2232863.663 2565657.1 962677.2316 724944.2061 2910046.284 3128067.163 1311112.023 5902218.972 1967568.535 5021378.668 2120134.417 2182166.712 2044473.138 4112557.736 1896266.713 5340048.422 1760719.993 5042614.555 8514891.838 1782414.348 3936571.459 2568988.173 7175366.126 4809263.042 2010496.443 3099061.54 10703502.1 21402385.34 20967285.44 39759212.1 36206819.75 4252471.801 4280857.345 4140859.894 3911056.86 4047160.204 3914091.657 3854950.511 3747077.329 3969858.475 2780.365428 20471.49028 22187.64626 2309.538794 24277.37894 24550.74798 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature3 11956253.2 5175998.608 5637557.498 6809206.661 8386775.849 6215604.928 11238760.79 8289091.667 10538844.36 12532832.5 8651970.809 11984597.99 6423632.982 11976398.18 7623389.005 10933926.57 4779571.486 15744235.39 7562823.546 25910135.59 11741780.27 7234716.167 13323613.17 12788299.51 12462410.95 3969981.033 2997419.473 11353110.99 10597607.01 6103167.776 24473842.93 9505791.845 19542358.52 10144429.62 11539427.51 9925806.163 17506183.4 10230457.63 21876089.16 9502409.361 18440874.19 28469649.27 8909139.141 13159512.74 10585131.91 21733935.32 15859120.07 7684353.042 11535689.93 26566424.78 48188793.1 45476553.27 74511964.51 71496395.16 14592082.64 16067790.29 13603435 13446964.32 14497247.12 15904780.5 13652483.45 13544849.03 13831168.27 2251.390991 71663.67219 85269.56862 2470.603268 75300.35509 61812.12002 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature2 152091.0928 660535.4359 594775.6435 660835.336 1071445.875 703892.8694 1323509.546 886309.2734 40030.02129 77856.3586 1300100.358 1651475.129 822838.0395 2251062.137 796935.0606 1545890.456 50224.05561 277477.3908 1221846.427 2853174.95 530816.4879 915325.0619 1402537.309 105714.9925 1926124.273 458890.4238 395600.5097 151874.0125 1422759.11 26640.18138 222804.5187 1302266.137 2579592.385 1239010.588 116412.2181 1384798.256 125595.5684 1948988.113 159435.514 59820.86831 311617.8016 232088.236 98168.6577 1777877.761 256114.7654 3231325.967 2360092.616 147251.5531 1910470.185 6072644.651 10014790.53 8044846.268 22890394.8 20422992.62 2413729.98 240886.4989 2396334.774 2268182.86 2076821.381 168608.7589 1805905.15 2016871.365 2397987.752 307.6912238 21976.85832 21198.86546 326.6685016 19293.5027 27018.08099 TG(50:1)>TG(16:0_16:0_18:1)_feature4 12169704.27 6351264.889 6663800.947 8243458.356 9415930.75 7160306.484 14235784.55 10880752.47 10603376.25 12380324.04 10474728.08 12780459.25 8289045.256 16754615.77 9463442.715 11701807.34 5144233.808 14074684.45 8715014.335 22612542.37 11675450.93 7699654.974 14906523.55 14914572.42 10775347.09 4996547.206 4298707.248 9574984.347 10436743.16 6842023.001 22113387.87 11076767.86 19248823.46 11897791.77 12562945.3 10177814.86 15419503.77 13957495.53 19748448.97 11925375.43 16280002.9 22728585.42 10522813.96 12921495.28 12659811.78 21110472.39 14887406.46 8194036.457 13264128.5 25333016.52 36825229.24 38309290.24 77428353.48 70753331.09 15554367.79 15809568.52 15259987.9 14382152.98 14212265.35 15026598.41 14337529.01 13940209.21 15938807.43 8266.204681 496765.9454 504143.197 6077.065349 456194.263 460945.1671 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 1636603.812 828801.9359 942366.0272 1138694.415 1212273.13 1268424.986 1678562.022 1384965.283 1452519.52 1361269.456 1058540.186 1424555.277 969597.6509 1832965.342 1415853.288 1461650.183 744769.488 1456245.972 1056415.791 2491783.881 1509222.835 1224781.457 2078407.239 1845118.641 1240481.474 670500.7122 605631.3508 1179684.32 1385836.898 1102742.962 2538382.2 1489399.574 2329868.047 1725114.822 1483029.182 1233432.462 1685406.432 1527093.198 2430866.272 1612376.938 1797025.516 2371704.897 1278754.529 1302661.237 1539541.383 2046385.811 1582232.159 810026.8539 1629300.231 2299245.7 4706970.975 4105754.938 7993096.229 7380005.399 1889016.058 1883642.879 1705865.641 1562746.561 1430315.913 1425702.238 1455513.355 1369141.646 1858884.944 13058.22105 411675.9578 420677.5312 14498.52129 385210.4315 389284.0251 TG(49:3)_M+NH3_feature2 34666.10833 18657.47976 21794.26636 14393.72383 12515.44906 23800.58122 22983.61215 17689.73719 18950.77322 32224.21498 16057.91927 17572.33743 16469.07898 30842.48716 16967.0387 32790.21586 14222.12341 46464.03979 25903.49066 89357.49353 17727.04061 21678.07387 21223.21434 26531.88117 33417.52089 13177.98134 7886.396353 27702.21886 19899.06422 14897.80294 71690.88049 28010.61452 51963.20459 24564.3071 22325.63128 17076.78865 56510.73558 16842.71134 72296.68751 22659.82172 56317.58443 70515.10878 23775.47843 28380.7275 29282.54474 68303.33727 59841.18635 12451.63786 19989.12595 100863.7799 250874.9892 245584.7193 363753.5788 331502.6799 40281.62265 42862.9098 42406.16803 40323.5992 24491.56611 37540.84352 36913.37132 29963.20335 40937.61458 421.1946593 5350.290806 4378.870996 403.9731414 4398.141203 4944.961282 TG(49:2)_M+NH3_feature3 178362.8657 71474.2371 96934.1378 99395.36752 125123.3422 99334.46308 173243.6599 121085.104 143684.5766 192062.5435 118558.0431 143756.0881 63734.88561 124138.4129 88560.33365 157591.5855 56126.98962 118904.8179 84194.15369 447284.2548 156358.207 113643.2496 219898.9817 185297.369 104959.4979 50824.40877 35670.35554 138380.2013 135428.6041 80100.72403 417554.1473 147260.8736 320925.679 154654.3465 152416.2915 148147.0252 268941.0589 140124.7818 398093.0798 151314.5348 139242.2996 362614.3404 107457.0554 209691.8126 143935.9217 297770.0331 152948.9196 98920.29208 204584.8586 522394.2323 1727503.397 1371194.542 1653620.27 1489437.212 211126.8282 147609.4761 208483.2417 195118.2353 183501.3611 239663.3467 217199.4609 182666.9759 204743.0082 327.9711401 14175.95692 16358.77627 302.8645344 16174.04388 16047.83382 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 159795.4687 74199.21426 103883.1669 97223.43702 124300.306 106631.8711 185587.6338 128759.7635 139191.4329 154525.8521 120839.7127 158291.8835 86999.43821 166771.4156 96963.43071 147284.181 57436.27656 193069.6613 95347.99764 408796.7857 182196.1531 108532.9404 214266.0925 180171.9393 154137.6993 64676.1101 41702.32825 123577.4649 128983.3651 76763.33416 398388.599 143514.6073 278249.3714 161167.8605 150574.395 128174.9427 231858.6817 148167.0095 351767.1448 150963.3771 223743.6934 359668.8389 117612.9573 190764.753 154301.5191 293009.2761 242201.6733 106100.1911 177352.065 438157.6715 1102808.761 946050.1292 1831795.636 1405969.183 222973.0996 211687.0012 196324.0417 194866.9489 175294.2792 184588.154 189817.1819 171551.025 231808.3577 353.2425428 16299.95825 18047.2302 342.7966631 17134.14053 17405.70358 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 90024.37256 43252.77948 58101.17664 63356.53161 67599.44844 73492.95389 94684.08053 79188.68699 63537.59033 67921.52077 52980.87532 79116.539 55430.99137 84667.97221 59963.47345 72243.9537 31630.41524 77348.23334 48841.48727 146954.1369 92159.88028 61807.05144 121770.1554 99380.57939 84226.33514 32224.81456 28764.67288 54499.14392 58010.42874 49832.98759 166324.8555 79343.30483 119831.5512 87556.92063 72867.92726 60553.07851 92844.17502 87384.22778 146761.2031 83990.1737 90598.20212 120340.5618 66676.49108 81421.8207 91013.89353 101411.1571 97980.40954 45092.14623 86393.03007 132778.4706 350599.4488 290879.1739 551520.4398 381724.1199 98604.32891 88864.6119 90251.65594 89949.46097 90319.41275 81280.06359 75591.22717 75840.87877 107712.4036 357.2154329 4701.790633 5324.817901 304.157097 8500.407034 5443.595979 TG(48:4)>TG(12:0_18:2_18:2)_M+NH3_feature2 63660.52196 22288.33548 38179.1904 31665.34198 47819.71064 41284.51768 49968.07542 31885.90978 40299.99961 60644.41726 53748.05131 51611.46164 34923.28274 65844.30417 37950.55893 74760.06597 21322.20237 89207.42164 35405.61226 236926.6112 45625.38193 22568.95045 55902.86674 32844.00378 51347.67237 20050.49065 6402.593597 56390.88833 75335.55898 23128.31868 122644.9337 46050.03499 108730.0532 36391.11927 44183.3593 51488.33026 103185.4756 41898.81384 125234.3358 38499.93258 113495.5676 172007.9523 34737.35926 60190.01532 49602.16163 199050.5574 95002.10568 39287.38537 69117.9883 245111.7692 601579.2815 583795.6477 772829.4882 674145.5131 85057.25977 82778.60401 85211.97959 46625.78219 70499.17374 75688.83644 76181.00098 75190.40573 72793.17414 292.2054292 392.8875148 412.9139084 280.4364665 416.6733555 469.6190312 TG(48:4)>TG(12:0_18:2_18:2)_and_TG(14:1_16:1_18:2)_M+NH3_feature2 86383.72278 27582.88545 43930.56541 46034.88636 31207.09738 55015.4556 39675.90709 53776.1505 47771.1172 64204.58303 56695.84061 48325.92321 41874.9466 73653.23322 46828.4777 64164.64825 20997.36443 70919.98625 38472.61712 127382.2218 42192.61394 27843.4827 52099.62227 49774.53338 46887.71387 29705.72496 17846.09505 57559.33721 57415.49067 37433.2751 112392.5194 42555.97301 79253.05764 45773.26002 60408.14397 53887.27362 91680.49321 56828.61846 104502.2026 54491.63616 101849.445 78112.33603 34666.37077 48886.16398 62870.22031 136326.1647 59647.07682 34750.02556 89890.64426 138207.7559 139325.1239 30658.62977 13037.69714 7410.779003 60689.81888 60162.1853 64551.26768 71998.24668 58287.9198 60519.02372 64112.26319 59701.5263 64107.60188 372.9609404 586.1709849 1154.801062 365.7859685 500.4139574 538.2395369 TG(48:3)_M+NH3_feature2 132101.1937 46999.19249 35821.68179 57553.96467 94103.53973 81240.9827 100384.1199 69310.2465 90501.78207 129916.1613 123945.6785 152524.0362 81279.56815 168620.2291 78337.91994 172097.5643 34196.95861 329708.9655 81210.00332 583945.0303 98083.30478 36454.68675 114281.3979 83334.10668 126775.9601 28086.25034 35485.81563 120529.4149 175800.8486 71313.68595 427114.6278 95490.84011 284003.2524 98325.97116 94787.0076 92892.52069 215247.0392 86540.13314 270580.1064 71787.83315 281696.4156 436602.1707 71047.19177 198232.0484 118467.5664 609238.1713 256859.5021 141268.8716 159953.4571 903237.0249 1808770.929 1807015.836 4573664.562 4160171.419 304583.7515 281698.4926 297033.5086 273817.739 199407.9301 218192.421 266707.0883 237878.1705 248040.9609 384.2905832 10734.62229 10988.65565 377.1212754 12153.50347 11014.37646 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature3 818352.9412 316607.9242 414326.845 385207.5094 730285.9751 493752.7306 699534.8704 523831.0468 667213.6102 968840.421 817051.1549 997370.861 525839.5111 1140676.524 581337.8518 1122568.049 434023.1965 1613367.964 574779.3991 3757820.718 686395.1553 473992.3885 814918.447 731981.9726 906804.4656 333349.9531 256296.6387 1050746.096 1097107.626 483147.436 1863928.003 660425.8784 1620055.76 713301.9471 683313.4337 657067.5963 1385317.866 542169.0811 1854480.002 579683.9507 1727094.299 2827290.342 502461.8021 1161110.549 782539.7824 2513101.361 1735242.471 660478.1763 1124858.653 3671790.91 8802974.202 7866500.008 21570892.41 20021641.51 1680720.564 1570060.022 1442637.557 1552451.698 1455952.113 1542820.848 1546046.922 1487737.15 1367343.952 727.7225931 38115.18712 43079.86184 772.4654549 38350.15071 25361.55847 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature3 1196667.983 413291.101 579606.0846 606296.7835 984187.991 769131.9277 1216142.417 797397.2748 1040286.984 1249710.095 1249950.308 1590313.913 960199.066 1969812.049 849149.4026 1629638.663 537544.2037 2311905.171 993351.278 3744559.103 1071001.167 695908.8487 1239846.153 1245390.958 1158997.675 492991.264 385238.1714 1322776.588 1422471.166 712462.031 2430765.689 935891.902 2134702.589 1117336.566 1195165.407 977814.0512 1681212.82 1084071.491 2139627.938 902590.3603 2378928.486 3329908.747 960020.9957 1529819.976 1235304.302 3562859.197 1934161.325 960615.7579 1498012.927 4016368.41 7035303.683 6496814.365 23900543.25 22623707.36 2172392.108 2137280.734 2165771.115 2098503.439 2091605.278 2011636.292 2078368.984 1995157.579 2156244.506 1039.993717 56524.64081 74283.3092 545.633429 68883.17305 57177.80473 TG(48:0)>TG(16:0/16:0/16:0)_and_TG(14:0_16:0_18:0)_M+NH3_feature1 2664916.116 1310295.378 1464026.392 1863879.286 2174660.654 1769980.588 3317561.017 2557025.069 2459965.614 2575351.359 2036167.27 3082358.284 1964645.576 3962837.066 2170694.888 2634239.533 1110521.799 2620186.649 1965414.238 4260686.497 2914342.836 1799323.88 3512370.945 3622150.938 2326930.159 1115552.042 1007300.031 2071048.775 2416184.559 1639035.187 5011369.457 2463934.817 4090874.466 2987584.043 2935597.71 2203001.953 2897249.713 3281460.486 4402217.362 2772498.789 3193907.572 4426172.626 2413955.335 2400276.72 2646683.447 4017159.035 2728573.12 1607980.887 2763520.299 4792755.287 7023159.63 6764692.477 12718478.46 11534051.65 3241530.933 3173392.001 3203866.329 2940341.662 2923577.708 3069277.163 2952092.182 2890020.055 3340658.4 6272.426601 439190.6493 456491.8527 7597.363509 405297.6532 429472.8708 TG(46:3)>TG(10:0_18:1_18:2)_and_TG(12:0_16:1_18:2)_M+NH3_feature1 67875.05382 21918.55112 34236.48171 12747.18778 39962.3218 16532.23647 47069.43899 15690.47171 27666.86257 45250.18627 25222.93693 60198.98894 20621.77333 49041.76803 24324.46127 75565.93991 31482.03965 60727.71152 38377.2432 304300.6401 24789.14218 14729.87408 29344.91215 20658.35535 41453.79917 8499.198734 6454.443036 37971.18664 75710.60845 19978.4723 114755.457 38845.57344 107263.8167 30178.59518 32230.21541 35475.62281 93651.71682 21166.26716 170254.2023 20735.33055 93493.45417 169312.6829 19653.14566 38065.96838 37901.23618 180545.4421 86874.96504 19123.55124 45683.77786 308295.3478 534124.0033 519415.8091 800741.4087 755138.4427 86570.6681 68416.36425 56217.87877 69959.81969 65793.84804 61227.86048 99108.3223 76089.28916 88568.64499 298.1830014 391.5657987 3417.874265 288.6679626 3333.936804 3367.096194 TG(46:2)_M+NH3_feature2 108331.7546 38622.10381 49653.41156 45952.89852 92463.96507 52888.33113 83095.165 53151.52303 64301.0049 103694.5044 104791.1104 113772.3702 67662.57601 114544.8753 61529.45372 145801.5934 45730.44042 183714.8359 70119.39375 465047.5476 67662.64554 45530.88076 86052.61559 63517.57612 107475.9059 32908.11866 28310.47695 99870.8324 125657.8443 56131.46784 242157.4017 76110.96926 211719.1916 84779.75531 69043.7105 80516.2936 156470.7129 55888.48858 253044.8883 52544.33627 218653.5762 315652.0009 56508.73294 126082.5597 97194.00458 363920.288 173815.3675 82242.86134 138432.3558 482093.6118 1108270.648 1066600.275 3046083.946 2707245.696 172432.6144 167835.0539 176331.92 163261.6262 161381.6938 154204.2682 162138.4841 159090.134 174869.5829 325.0926064 21637.71328 19836.4898 459.8371131 15688.31391 17868.5989 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 130364.3655 38421.88688 54167.18073 52664.6725 87942.11863 55706.47784 106085.2961 65058.69896 71057.38853 111573.2062 115296.3166 122445.1663 87957.68432 184375.6542 67781.05811 143012.7075 48342.71234 230623.4602 80307.26289 480864.8474 84298.80039 38811.60841 104411.5873 83414.39527 94862.91587 44826.37672 36063.35502 123926.4819 127489.586 57423.45338 226869.1081 88879.75227 199677.5092 93683.67886 94509.1747 74883.90891 153002.2921 84690.44126 240126.2144 75771.66866 237473.3587 358038.3588 73344.12981 131435.5979 101414.8455 421981.3003 174509.7901 82331.87714 139161.6557 491175.1045 1112892.953 1132251.493 5550767.139 5196101.384 238279.4399 234960.901 225736.0832 212816.0603 208921.1922 211927.2374 211998.6686 203267.2502 230424.5928 600.4129274 31250.29427 41493.06478 349.7331556 39857.29842 32933.55541 TG(46:0)>TG(14:0_16:0_16:0)_and_TG(12:0_16:0_18:0)_M+NH3_feature1 261297.2442 95116.80706 138343.9332 143342.1463 226922.4614 186716.78 243637.427 183054.7258 225048.6842 248474.6646 223034.2449 303526.4789 202383.6845 366658.074 190870.4536 344947.483 130007.9686 406796.343 199951.0698 653088.41 239853.5188 170791.2629 264225.1544 273139.1518 233106.5456 116532.8487 98866.3863 265827.9101 298683.5257 171035.8003 446587.8848 194168.1608 388066.2647 261346.9064 251961.9417 203188.0581 302795.8297 233091.0695 412444.0455 205667.8455 427234.3259 554426.1414 178303.4035 264598.3661 223453.4782 572412.8936 333079.194 166643.7287 299329.3016 635258.9766 1087776.748 1048754.533 3181528.005 3011826.754 405315.7855 381456.7109 377649.1623 379735.2317 386360.6961 364401.5131 368591.9161 366218.9481 385640.0984 612.8953437 43546.16131 54672.40169 388.2191051 43900.92134 40994.7998 TG(44:3)>TG(10:1_16:0_18:2)_and_TG(10:0_16:0_18:3)_M+NH3_feature1 24658.7495 10136.09438 14465.32954 12321.11202 17684.11364 11682.24796 15932.3252 10514.0185 12134.15456 16859.63951 12087.74577 14618.13595 13363.02409 18809.94822 13402.1577 26272.87014 9615.569037 32785.76308 8256.705625 122920.2904 15845.05577 11606.61307 15082.32585 11272.25411 17579.91648 5444.444793 4437.444678 22069.65814 26023.47079 9881.424206 31741.04652 15652.7745 35857.02294 11657.64719 11950.46588 16216.68737 28456.0441 7687.973663 45210.26356 10861.72244 33838.32675 52770.81215 10108.87641 18615.06266 19122.94595 75420.48324 56708.10098 10313.02282 24266.63414 118205.7203 97226.74555 53104.61427 252266.9228 70904.40556 27169.53542 23375.67525 24438.34071 23673.05497 25838.72622 21784.26474 22319.40796 22456.11027 18874.86134 268.8072681 418.5211043 328.0601025 267.5749696 814.9938473 370.1536646 TG(44:3)>TG(10:1_16:0_18:2)_and_TG(10:0_16:0_18:3)_M+NH3_feature2 24658.7495 10136.09438 14465.32954 12321.11202 17684.11364 11682.24796 15932.3252 10621.50322 12134.15456 16859.63951 12087.74577 14618.13595 13363.02409 18809.94822 13402.1577 26272.87014 9615.569037 32785.76308 8110.945525 122920.2904 15845.05577 9827.399976 15082.32585 11272.25411 17579.91648 6743.707293 3952.236474 22069.65814 26023.47079 9881.424206 31741.04652 15652.7745 35857.02294 11657.64719 11950.46588 16216.68737 28456.0441 7687.973663 45210.26356 10861.72244 33838.32675 52770.81215 10108.87641 18615.06266 19122.94595 75420.48324 56708.10098 10313.02282 24266.63414 118205.7203 107891.3516 53104.61427 153933.3526 70904.40556 27169.53542 23375.67525 24438.34071 23673.05497 25838.72622 21784.26474 22319.40796 22456.11027 18874.86134 425.9062596 649.2619289 642.71255 390.4924218 843.6803461 927.3484613 TG(44:2)>TG(10:0_16:1_18:1)_M+NH3_feature2 70867.77254 27864.20705 39943.29511 29788.76055 51960.1 31300.81734 35225.40806 22504.48054 28900.42797 59885.11046 35332.54591 35966.05912 23643.27536 42010.19377 26400.31161 68012.92114 21052.4185 64420.11384 24224.98027 265542.9806 22943.56433 16830.23755 30249.93434 24023.02316 42233.55065 12863.08854 9727.889314 41037.73318 48948.36252 23372.48917 118185.9519 39642.88839 124350.8514 39344.4919 30820.46863 35520.87824 102119.2899 18179.87702 132024.0205 19840.05919 90735.37902 141756.336 23203.50708 38422.53886 40827.14045 203997.7747 75566.37589 32881.3468 60849.44411 249665.5635 468042.2764 481941.9351 799371.2778 757725.471 82100.75673 81097.1104 82269.41266 71798.50465 76651.34483 73683.33673 73473.32269 73830.55889 69527.71903 281.6479045 6813.779134 5471.840107 302.1919032 5199.428875 4914.35622 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 16903.31567 3636.225304 13536.65545 7757.580151 39177.63997 1767.420054 10056.23144 1649.870878 9717.2357 35663.51818 28409.95188 31236.25605 10844.91297 20907.98115 17693.7862 72215.71345 19084.89952 48278.26684 9463.791045 502046.9197 3072.592253 2813.528589 3532.291418 3273.131164 36776.44526 8642.634154 6005.851062 41086.95752 58938.39176 21474.53325 68528.17813 12493.26941 56234.35704 15072.82871 6040.664505 10761.53705 38813.66491 250.2988469 61543.76783 1202.489955 60262.31566 104863.4501 10265.58162 44383.91699 29847.43467 194965.8474 104545.6554 28037.439 48350.63038 332871.8417 462393.8707 433078.5568 591764.219 531540.4744 63436.3343 63581.20788 57883.01233 55100.23777 58792.41369 58595.94387 61079.62851 55330.45609 59537.32706 208.2531428 1120.467071 1046.014271 193.6034697 1085.393222 1083.371049 TG(38:2)>TG(4:0_16:1_18:1)_and_TG(4:0_16:0_18:2)_M+NH3_feature3 26645.89708 7413.899045 31481.49189 15157.42591 74595.00509 3186.9003 20045.94048 4867.811651 17048.32693 63779.16338 61177.8556 60714.78749 26359.86654 53570.07669 31458.92319 173092.1514 41782.68968 122342.9619 20061.94989 917780.1597 7434.648816 6953.913944 7498.690832 7303.344338 65690.43986 16924.5223 14989.70131 94784.35821 126513.7772 45947.48477 105994.1563 24413.48974 107951.1117 31781.57464 8724.363427 19688.95554 67974.58522 622.1045773 121419.466 2438.271815 120989.225 207680.0396 24336.44321 79948.90757 54265.92157 386528.3269 168270.2314 55017.89145 95562.49422 640028.0724 790526.6462 745427.4672 1045007.128 961366.993 118234.7104 125681.7639 112517.3857 108979.0003 113614.5567 113983.9637 114929.5256 115920.4374 118781.9484 209.3681804 1205.924678 2457.610194 194.6400694 1597.109236 1802.723692 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature2 18792.04326 6713.772171 18872.99432 9795.642541 49245.50577 2847.067572 14262.33077 5868.203115 12340.30707 46008.40727 39846.09314 46326.12142 21423.79057 36578.56114 25941.16321 111395.2734 27055.86638 77984.33515 14233.27834 632092.8952 4536.045098 5415.535366 2175.414484 5175.347697 36504.96269 11628.51466 11430.31723 69108.16186 77803.32361 31183.35585 67853.87857 19107.17875 72390.38049 21561.49089 8487.155762 13648.5204 45579.48812 1343.509382 78968.58594 1556.620865 90721.60392 138668.9801 19289.66215 53758.20195 37325.57742 330454.2892 128890.0195 35398.90463 69912.87746 429496.3989 396380.7083 363464.2948 885400.923 733098.0309 80970.4512 76270.75626 79248.23801 72682.01607 73426.8322 70857.8434 70075.94525 67615.05991 67119.34216 312.9617861 5158.608003 3449.850852 324.7581027 2361.169671 4290.354033 TG(36:2)>TG(2:0_16:0_18:2)_M+NH3_feature3 15439.27808 8785.541172 12997.89357 5665.784165 27520.18165 4293.673452 14399.36672 8509.970355 8644.452075 25534.05896 25360.99048 23997.4302 7797.532418 15407.46518 14279.0982 46783.07722 12399.35177 42484.51989 7966.793971 208401.4854 4065.066974 3332.147861 4235.667963 2396.822177 21341.4062 5558.280163 4368.730339 33694.56736 38477.07089 13977.33634 46078.60273 11913.56154 48794.02571 8943.886043 4604.565875 10085.59856 36514.64011 566.9451295 54249.62217 2003.274929 54321.99362 87611.24314 7355.85881 35701.13839 24674.52361 124114.2242 55234.93777 21218.87167 32266.78217 195648.2538 168732.2208 165701.5295 146064.5345 140165.5702 34442.90125 32901.10041 36211.64945 31577.15798 31478.61985 31239.04641 32787.56701 29827.53746 31329.8128 237.8494667 8460.122239 7957.621943 236.9569808 8557.362104 8675.730436 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature4 14109.49949 6803.459051 7690.943135 4172.380679 19680.45385 4190.124317 11666.53526 6226.934629 5653.571693 19801.45271 20366.84755 16779.31627 7006.390414 13084.88139 9686.034359 41327.79559 9267.138095 34346.46443 5028.130045 169479.5792 2763.516108 2157.216613 2906.052531 2061.89268 13982.58485 3641.193336 3946.350375 23147.21913 27363.89711 10387.80365 30280.5566 8992.336923 33355.13759 7140.671539 3204.570244 6323.932529 28801.07434 585.641992 37271.735 1153.608696 33421.00894 66343.35523 5389.115354 27881.34717 17282.77676 108468.9358 40457.18681 14184.64092 20144.00617 140587.7544 156976.3898 147162.7149 204499.217 170927.5647 30915.11995 28398.18821 28827.48958 26027.74145 27761.66963 26617.17605 28022.0934 27201.47653 29215.84164 233.0874753 1355.311844 2953.113385 225.1689978 1307.913334 3519.398388 sn-glycero-3-phosphocholine_feature1 2052820.397 2401429.996 2199019.432 2574677.096 2316292.716 2913832.075 2072434.277 1968472.991 2010878.501 2457374.445 2937544.893 2211703.358 1808814.406 1747538.136 1667473.642 2226077.104 1808773.971 2400767.587 2110101.824 2044773.012 2212473.571 1799553.118 2093740.266 1977685.651 1742131.889 2004276.181 2024924.11 2537282.12 2282562.489 1952629.201 2004575.402 2028833.838 2465494.348 1807402.179 2155709.695 1831693.166 2313798.323 2019877.334 1849312.224 1927767.847 2014787.91 1884111.504 1595596.882 1370868.398 2402459.091 2364828.021 1727987.586 1748842.148 2586351.222 1873364.012 1533460.485 1482532.865 1774939.59 1966067.724 1932174.052 2108989.229 2058462.067 2179125.016 2270690.261 2132044.961 2073062.762 2251006.891 1969456.114 1773.164249 24098.3727 19284.61244 1390.297384 20817.22751 17263.91118 SM(d44:3)_feature1 52604.41478 65703.31946 76580.82437 73866.15059 74471.7121 85297.42503 80702.69463 68092.81595 61383.25657 67634.50612 93526.16508 91555.20246 85296.42775 59533.49536 120209.1629 124530.0075 104449.5709 100622.1165 73913.24515 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2402455.351 3091985.694 2552315.672 2537383.901 2226660.537 3364193.818 2592976.344 2686885.818 2652962.371 2493505.347 2636669.015 2742993.202 2792393.324 2690142.103 2759886.5 2680795.47 2585998.649 2614249.361 2605092.987 2550516.041 219.073272 258.2695679 323.5307072 225.9394266 261.5266343 259.4210108 PC(30:0)_feature1 1757843.504 1637928.221 2389556.489 2343079.837 2436341.578 2920684.639 2226080.973 2251159.993 2214657.113 2203312.283 2195506.801 2055175.257 2449035.955 1941636.917 2126533.572 3091225.709 2057282.85 2552088.997 2027634.972 2393263.709 2352582.056 2288215.137 2470047.549 2081000.827 2314364.313 1947205.889 1873533.744 2501899.531 2775009.775 2097574.086 2442025.33 1893023.056 1881749.604 1908046.394 2176005.357 1666431.541 2020249.345 1912606.964 2020439.92 2223479.259 2159163.38 1631385.624 1559631.149 1636283.827 2353061.684 2277347.333 1935332.515 1577179.648 2700176.076 1955119.781 2178851.376 2165745.04 2535776.395 2513456.73 2158550.608 2191879.038 2191591.466 2213453.083 2142767.024 2069614.078 2193024.416 2195772.808 2059478.646 490.2057762 807.8454705 735.2651642 427.1692649 795.9955545 1058.870883 PA(34:1)_M+NH3_feature1 73114.81333 114404.7138 83033.1317 73090.01155 110603.752 116600.5957 85454.93075 76185.3638 58740.25207 97958.2663 113372.7467 86459.46972 86296.8457 88490.93515 68299.5755 94986.0409 108702.2611 91168.70246 59036.75772 81378.95335 76105.23998 71080.04822 80828.04381 66274.35158 60511.22654 47712.32888 33664.95831 73786.09677 112508.858 88158.53334 126455.0265 85294.89621 85535.73154 58226.26936 78410.1988 51794.47207 122113.5146 97793.54712 73030.07236 118458.2075 87823.12419 58187.00165 58246.25646 38171.41153 86543.51529 121070.4138 51037.89141 66468.86934 140733.6003 56480.82356 77921.05348 77411.18429 63055.24477 70880.46645 92804.17416 85032.04947 67061.09982 118189.8311 77756.44977 70993.12818 85763.2496 72946.42534 80063.75896 332.8270379 1329.926425 1300.357657 326.1665632 1650.720262 1272.07844 PA(34:1)_M+NH3_feature2 170751.4374 178250.5851 185904.1549 215438.0923 173966.2117 223888.1415 203772.2942 195594.3894 215458.7909 220806.4535 223807.9869 258259.6098 166969.5654 169180.1433 220417.715 226660.0102 176630.6136 234293.9639 202198.7926 207128.3047 244217.4153 190584.5604 212875.1302 189074.592 193435.2031 193865.9305 155029.1222 235809.1444 234942.6904 195797.6787 260028.6191 197226.922 190432.2175 192330.9605 208819.603 161288.8699 194477.7868 229357.2763 213468.575 201238.8085 182506.0874 193160.4468 163385.61 166872.7527 230015.04 240286.2104 181602.4693 198807.7815 280921.8729 209818.5746 200952.752 191678.3109 203078.3785 201160.9486 202214.8862 198838.1796 210250.3021 197260.8604 193808.4558 201895.5079 192335.3647 217326.1459 197928.9931 370.3639573 431.8736649 499.8749805 356.5142609 551.7802179 581.2036738 LPE(18:0)>LPE(18:0/0:0)_feature2 137818.6391 179483.7083 169312.1884 214422.7237 188952.8893 218062.0153 182800.2389 174577.086 164879.8 146431.0056 234041.9955 198284.1704 180677.9609 148871.664 279604.217 260472.3575 205224.3966 208720.3748 186196.238 219273.0699 208534.7766 183250.0746 195993.7116 161595.4906 182334.7154 223223.1406 146712.3447 268031.0561 307059.2271 204379.3017 204225.1584 170997.1017 167306.9578 149519.8281 169886.8988 163131.288 170298.6192 218915.1199 179571.2418 193304.181 201736.5918 188370.3975 177378.7044 164951.3252 291161.2601 254812.1461 192216.8795 195297.144 305077.5448 213630.4519 89577.4572 97833.95178 115705.4478 120576.5219 186012.1234 181383.37 192749.2429 198261.3874 195006.41 207101.5723 200856.7744 204979.965 212226.3879 291.9426185 860.2148277 991.5526742 292.625168 516.6925949 881.7091741 LPE(16:0)>LPE(16:0/0:0)_feature2 46076.69053 55073.83736 60333.90599 66307.10841 69968.85639 76097.35501 61064.61359 54889.91684 57997.06413 51122.56299 65600.73382 58252.04482 53718.36216 45010.8837 72789.42981 78697.87097 59391.17698 68852.8839 55423.15934 60359.10594 68922.84529 61469.6313 63701.67403 49772.37249 56803.04484 60150.64812 41058.98406 75183.24139 84107.05184 56413.03 68178.36788 53281.8467 54311.60198 47211.84215 56937.90487 46478.1715 55458.094 77972.28035 54313.41186 61300.13024 55986.04055 52171.16592 47965.61049 43955.8254 81488.37408 67460.86522 53485.55652 54316.59947 92320.58451 55376.66725 29358.46384 29928.38261 38472.55771 41134.28203 56063.60105 56395.96564 58195.23572 58340.63634 58182.45404 62044.06783 60649.59196 60859.24344 60073.99387 316.8668282 1288.551289 1417.830426 308.3948208 1231.194676 1248.107095 LPC(24:0)>LPC(24:0/0:0)_feature2 34516.93566 44420.47189 55313.43806 53094.71879 52388.19636 56564.94999 52979.05093 48963.07194 38622.41195 41501.11238 70304.92006 60228.04418 38776.89754 36852.50672 66634.40286 73960.67873 44176.49879 54288.71027 50048.10868 57874.74233 61188.58571 59851.27067 67856.40718 41577.5 52610.82194 48277.78323 41800.09747 80615.5597 71402.34453 54020.52806 48364.47044 44894.78687 48440.62627 42964.73756 46769.49872 39789.93289 48617.98211 51865.95841 48331.70641 51661.88869 44839.43743 56929.9041 47960.13969 45286.26731 91800.76361 74489.35949 55564.31344 54759.92233 91197.36781 66036.18822 37803.24153 41382.10306 42807.66259 42085.71718 48168.15687 47629.31408 54745.92125 55742.2853 57381.663 55190.43515 54756.46284 44114.57154 50453.05368 407.1147322 4365.958291 3976.884139 405.7564617 3939.011124 4463.096112 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 165094.2941 206767.1953 207175.3134 273206.3934 238600.7862 213582.428 256656.0395 213050.8236 246193.5033 261166.9143 299917.1795 267348.3529 220672.1765 162177.0836 322079.1592 311572.2872 249059.0527 231232.8891 301874.7388 278140.5267 334147.2602 237192.5885 257331.8012 234895.2742 261536.2765 290930.3435 239621.4733 309375.9689 394496.8861 288596.3389 290401.2749 228054.1185 261196.1599 217258.884 276265.3254 205656.7175 267432.0324 423831.2149 223243.6662 283558.7536 190626.3998 226469.3402 200477.7839 209929.3268 357256.5558 324034.2259 167827.8659 293045.1563 403904.0577 261638.834 104016.7595 103976.7341 129118.8015 128297.2724 256280.6419 237722.6096 277400.3551 242110.7045 267971.3404 271589.6631 267083.5539 276084.8689 272388.5915 256.2720867 10262.00906 9757.84261 249.1945153 10755.23756 9978.931566 LPC(22:5)>LPC(22:5/0:0)_and_LPC(0:0/22:5)_feature1and2 33285.88088 45073.51067 43261.24322 49333.34377 37694.71134 43962.69996 48135.43576 57581.87348 47330.87194 38188.8662 39075.56307 36420.43883 26610.72848 35620.33652 43699.91036 41960.16596 38272.35524 34800.13428 39628.34236 29053.93003 75993.80018 57871.56664 52341.40718 38666.53538 54160.2282 43817.07663 35189.79533 40177.46085 50761.44376 45798.26564 54177.03868 28994.10465 41964.36468 38137.86254 53568.99632 35761.99983 33736.65005 64553.66176 33818.02049 45106.03024 26419.73146 29815.89325 24786.43893 12874.84095 44710.66879 38297.30638 26605.39434 29625.92529 64266.81841 33770.33957 25054.35216 24326.57887 34388.43896 26228.8629 39591.92982 41684.33556 39996.07306 36953.37735 39619.07785 43984.29604 38078.50842 38183.87196 41298.90014 179.0315859 7745.837999 4132.176034 195.0887529 4320.090733 12190.18354 LPC(22:0)>LPC(22:0/0:0)_feature2 22415.3754 22257.44054 28905.37181 28634.09623 29805.10385 31309.18991 28751.16896 25161.47725 25662.61187 23528.03623 36721.37311 34632.42178 28825.7699 24107.89081 36237.31779 43774.26348 30455.19857 37903.90045 30294.17115 33539.48412 36056.97158 29108.12866 35104.81921 24188.34354 27139.7077 28935.74375 23891.88779 40394.0706 45791.02231 35347.22952 31653.28235 26660.72537 25305.83855 24171.72145 24884.52556 21304.30832 25496.82768 29346.47641 31378.95411 26882.23111 32986.56586 32120.89683 28875.20956 32330.12455 45922.87382 36988.65673 34632.6528 30026.93662 43994.92471 36278.68125 22017.96583 23256.90236 23006.0102 22101.56951 30187.0786 31248.98646 30943.43642 30998.90115 33281.51389 30592.01872 30865.90128 29324.81168 31071.66653 221.0422318 5571.573017 5313.206193 221.5229771 5646.446556 5432.981612 LPC(20:4)_M+H2CO2_feature1and2 1234326.016 1160918.352 1112457.728 1461351.673 1210879.373 1299144.469 1571569.815 1394741.274 1573385.12 1524884.586 1443977.096 1128015.451 946565.2344 957986.568 1428681.994 1242201.462 1056027.173 1091680.963 1208356.691 1090134.629 1746660.01 1169681.09 1644917.595 1196398.882 1275932.149 1112256.295 920551.9397 1360100.383 1520594.683 1147563.207 1803547.945 1185410.613 1350080.347 1216593.336 1695268.775 1121997.015 1369078.26 2113993.767 1127271.625 1621782.875 1057430.252 1035908.063 1062888.344 856423.4232 1379897.993 1548438.024 951305.1643 1217230.683 2021682.4 1401950.023 936141.516 889992.7657 1055965.471 1081681.576 1163445.98 1161202.911 1225382.974 1363111.929 1339784.443 1370975.858 1277867.745 1364264.77 1280047.781 348.8060305 11824.72988 11243.78788 355.9517066 12393.06828 11498.54474 LPC(20:1)>LPC(20:1/0:0)_feature2 31973.05151 46528.61839 58105.84776 54826.63848 53969.80835 51087.78734 47849.91798 39906.01661 43097.65269 46049.62056 68032.8125 49585.08724 53110.41952 45948.66199 89985.17799 88349.36244 61993.91983 60722.37993 44645.04058 61766.90724 67529.65764 61922.69273 62828.96197 41838.31331 47704.688 54584.87544 41693.71974 78073.94175 77880.52808 58917.26537 54083.01263 49664.08584 54928.48584 43399.60868 56761.09806 38506.53724 63572.89153 53974.99578 58070.22303 44915.44084 40852.07422 46620.84317 39377.14494 42780.22391 81836.4603 68387.30741 40810.24254 46311.81722 97475.99438 58425.28626 46206.98174 53722.54231 54046.85652 49939.89206 52225.93782 51827.8181 54725.18091 48130.83872 55664.11881 54568.06504 52933.58989 53807.04203 53810.43255 267.3140084 1404.521397 1408.329181 280.4384061 774.8232149 648.851265 LPC(20:0)>LPC(20:0/0:0)_feature2 36111.70288 41526.35141 56671.18483 51047.66812 60947.81672 58657.81355 50464.18889 54639.17982 55727.43951 51007.52938 53229.10159 43489.37309 46743.90165 42489.57062 65970.66783 72747.33828 49471.83548 62820.23511 47765.21715 57543.96032 62119.64792 57905.21349 57052.05669 41573.86335 49131.58889 42172.33775 39277.5413 65919.05522 65271.39042 47488.66699 55825.73029 46496.38131 44369.32966 43262.8455 48539.31919 38245.17889 50600.3772 57380.80767 59396.38715 47849.29494 54034.51399 43712.85052 46202.48093 54088.34204 67159.51002 56354.2821 47819.45242 42782.69649 82706.47132 54697.82883 46093.95226 46185.03101 49261.42768 39420.8571 49605.02768 49991.93057 58255.64737 55803.57884 47970.35511 49382.76763 50872.15105 52698.2674 58435.7387 646.5263591 10443.38547 10912.61559 669.1238903 9272.893819 10585.50871 LPC(19:0)>LPC(0:0/19:0)_feature1 36501.19236 37991.4645 51733.62595 39591.4643 57263.9456 51662.72473 79657.37725 67762.84051 62549.15925 43941.41703 40455.16514 28087.30964 29406.33711 29265.41891 38300.27085 43369.81414 36060.3301 35996.91561 34299.86451 32311.1578 59732.35503 58343.90161 103051.3807 45764.43095 75882.64284 30063.78237 27482.6049 44963.56557 59959.2021 33884.69509 86401.21509 33345.091 33584.40208 41163.94654 65674.20076 31575.023 75061.18608 74877.65904 60032.31496 65902.38142 25806.5008 24989.08408 31582.18534 28802.06491 41461.67917 34352.66347 31576.36242 27608.47199 52032.85498 33768.70297 31412.02061 38025.46127 31526.6333 28388.10741 40086.89467 34811.81166 32819.59172 44722.06253 37697.84479 42970.55795 36630.40356 37811.80015 31906.60021 133.8153617 344.2585065 336.7274673 130.6700672 309.3894064 315.4115939 LPC(19:0)>LPC(19:0/0:0)_feature2 57789.57428 87310.08753 72819.16094 94751.30575 83445.92174 102865.7692 91710.78532 144356.8224 75185.00826 53595.10603 93332.27175 77179.41185 69342.01354 61276.58777 110685.9657 98187.25597 78882.99201 90333.77075 74981.824 85897.97666 113108.1288 115160.3422 66759.27275 76700.94357 60925.43961 75288.66599 66196.97137 99190.79272 110994.5458 72691.17733 74206.91833 80731.82621 77831.72107 76127.98381 129662.3923 64960.10672 155766.9413 54191.70082 105199.3344 57889.22281 67775.45599 73363.8502 73198.67799 87765.01577 116148.7027 100383.7859 85427.84558 74211.55083 134191.2267 89406.78468 66955.26767 66515.48849 76729.54333 75397.97633 87163.09826 84825.8152 82369.57079 88536.26634 91338.38617 83237.8178 91360.40018 83837.07539 87894.45079 393.4928414 3621.617438 3576.03517 393.6109887 3639.339631 3441.609577 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 1036203.512 1103622.717 1128677.979 1298110.53 1454983.039 2055255.231 1330090.535 934225.6291 1144959.529 537229.2691 1017818.333 896666.636 833255.7577 1036874.185 940993.8741 1467497.798 1224451.401 1636888.293 1072719.885 1389722.309 1304704.232 1271575.085 1015044.179 1106420.08 1169233.418 906972.3902 623767.5965 1287237.884 1462775.981 792096.4248 1122362.533 800543.431 1481010.089 903029.6468 1066601.748 659803.3368 1010357.494 1157476.651 821771.4219 949035.1373 643308.8049 593784.7529 642916.5013 631192.0492 1166765.93 669295.9454 633769.8917 509466.1707 1822462.098 1089991.13 872047.8139 1073719.658 1023231.384 1035409.533 1044299.166 1001236.558 1149374.992 1139580.011 1002755.762 1029346.273 805656.9794 1294889.32 683746.8502 328.1374062 7475.335432 8441.979043 355.3224632 17478.73954 6908.228342 LPC(18:1)>LPC(0:0/18:1)_feature1 164701.8399 192881.2977 229220.1823 330881.613 328408.481 294667.0013 321531.9746 260209.8368 237313.5482 233350.7898 270013.4329 218364.6369 236904.7477 226668.7151 242738.8003 463855.6234 220696.2321 248394.4467 215795.3185 261215.263 315602.0418 244349.9692 299508.3124 245261.286 285403.0742 217736.5125 214311.0719 330679.2035 337863.0684 212518.3654 239815.6645 222857.8518 236104.3913 207085.9543 251627.9018 187899.7028 207992.9382 345935.7463 297916.5385 265299.4538 216115.4612 182689.7784 196898.2013 232462.3498 264135.6815 269986.1791 202183.2606 201438.7068 446116.6327 216302.0724 142331.9519 145347.3824 184216.6493 217451.2077 363302.4104 258166.3065 236091.199 301882.5465 229772.0455 244191.1469 231712.8276 280380.9549 220298.3578 400.3807809 3420.936721 3912.034853 378.3231356 4002.943716 5082.930125 LPC(18:1)>LPC(18:1/0:0)_feature2 666006.2123 672645.5154 883235.6995 946854.0472 1058231.392 1105692.504 998927.4795 698233.8448 675955.6424 600380.4634 729030.8867 542089.7764 533797.3923 684542.193 725896.2397 965461.0341 713979.2544 769141.1294 555929.5604 773803.0232 761076.1452 735677.4249 642790.0008 568932.4249 697327.5291 601766.8784 531273.1722 772753.1393 898571.4884 603815.515 785988.9372 542739.2117 549558.3643 524634.5159 632222.983 444223.9629 718937.572 797322.8937 689772.6168 718025.8493 503578.2264 469267.6616 456923.144 487431.2173 755902.2173 695958.3084 540982.4671 472932.6673 1193272.374 543681.5366 533470.2484 537074.0569 627729.851 632676.8484 655890.042 613716.1586 683053.2692 890119.263 674593.5731 653119.4236 697036.1015 663277.2651 688596.6045 376.8076599 2481.129783 1765.995153 373.2643044 1603.780181 1680.200589 LPC(18:0)>LPC(18:0/0:0)_feature2 12298947.06 14432706.28 14867399.24 18801279.58 16360930.7 17144127.36 15523557.13 14598867.19 16209550.68 16554789.42 24190473.12 19572366.1 14604531.42 14282421.4 27961064.99 19151888.37 16418036.45 19500426.05 14539599.29 19740495.92 20298065.85 16950880.02 19027870.59 14995554.05 14670405.28 18157256.51 13636745.64 23228531.91 24929521.56 18175767.07 17392687.37 15947572.29 16619800.13 13893183.74 17929164.15 14993764.45 16470532.26 22697774.25 14989872.41 15807339.03 15616510.12 17658165.23 14103951.94 15019331.98 26050406.91 25899749.82 15197613.62 18518103.36 30923612.87 21959093.48 11931094.2 11603698.76 12034440.85 12092264.74 16448513.26 15936389.5 18310060.96 16241769.55 17318903.34 16011031.49 18032767.2 18450925.44 17132599.26 5044.304663 7936.750358 10134.9889 4847.90816 10418.73148 16926.35007 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 157715.9131 170828.986 193961.7804 194452.2964 209210.6847 212695.852 192345.5699 190714.5388 178883.0483 153241.4683 186997.5711 133515.2823 114586.5931 116064.0618 181595.6077 175027.7178 149630.6671 167030.6837 137992.5958 163994.6568 227373.1151 204102.5439 206509.7275 148419.1373 171978.1033 145730.2795 116050.6324 190520.5243 213082.6644 134634.6902 206332.3796 174366.6079 165599.3473 155020.3647 159118.4762 137607.8375 191720.0917 189749.816 182652.805 186177.292 124927.516 120529.056 123180.4167 136207.9659 208196.276 187931.1124 138017.3979 134720.5882 251632.6809 156820.1252 169805.9949 165437.5482 172876.9622 177479.72 159440.3532 161855.5525 165552.4635 168664.9874 164705.5419 168372.9858 166719.3899 162041.663 165783.0674 348.4157124 7026.143047 7666.366431 343.4776661 6739.891282 7134.983307 LPC(16:1)>LPC(16:1/0:0)_and_LPC(0:0/16:1)_feature1and2 27880.45976 24737.53654 69868.26632 51169.38691 50539.1982 67345.64466 37429.67705 30858.96109 34914.08756 28202.49405 33854.76508 23294.41283 24895.08196 27570.64626 20229.81993 55763.2685 21698.14217 30416.29983 27957.78112 40295.48773 36804.4471 40907.82309 22799.47647 19598.43357 21725.47729 27836.64218 26213.05673 33738.30615 36392.58398 32050.19276 37278.71624 16517.23804 28074.12074 22377.73852 32593.49859 15072.65973 11451.35592 37608.11243 5825.001153 25975.72801 19121.68769 18467.83849 23557.82361 11317.17384 33590.40826 32593.5218 10886.67247 17152.01372 35556.76622 22331.89964 19603.99926 26794.14419 32126.98836 27170.39448 30452.08891 27410.55726 34661.76106 23621.042 35527.0899 36952.1194 30358.01272 31684.92513 24623.44991 154.1679568 5810.611628 5525.139708 148.160802 6089.890201 5650.325922 LPC(16:0)>LPC(16:0/0:0)_feature2 6398510.885 6442321.789 8075603.814 8590516.021 9375075.609 9673181.146 8030256.287 7644684.245 7519331.553 6557376.185 6740621.055 6110063.314 5028718.67 4937431.759 6998554.326 8358657.299 6288833.814 7547011.224 6001230.264 6581617.24 9062300.022 8118528.752 7450583.875 6672139.409 7443727.806 5973056.703 4734800.743 7839726.004 8920404.164 5655298.477 8788854.184 6443367.594 6289547.408 6406134.948 7182645.63 5722762.506 7127780.946 8479897.53 7548956.048 7892988.179 5428014.993 5044851.272 4698877.904 5214973.593 7746444.749 7453116.373 5192657.6 5399936.021 9616960.85 5772697.424 5551819.601 5558106.593 5914418.3 6104999.391 6775623.533 6639161.897 7170469.166 6719265.533 6663308.827 7264508.863 7070359.82 7365635.984 6983352.357 3740.443866 7037.337556 5553.856235 3499.329033 10735.60892 13461.03093 HexCer(d40:1)>HexCer(d18:1/22:0)_feature3 23102.01953 28598.5677 36690.33721 37408.27081 31283.81642 38319.36843 43309.58062 32543.45303 33670.82706 31943.80659 45505.54967 45515.38714 40383.5154 34257.09455 48006.86215 43500.37001 40228.93979 45171.14789 42694.00467 43327.74399 42535.96846 38442.11628 42868.50414 34789.39619 28800.38467 37846.1785 35247.62539 49679.74779 53487.99094 36838.14702 40647.77089 32357.26201 35775.00042 34214.55105 33132.86806 32222.10757 34820.92808 38121.40602 30695.38743 36921.04596 41920.39047 41131.69699 39977.28827 36838.92803 67701.16333 51008.08161 40032.22515 40902.12078 60692.51032 43562.97954 34659.22207 34540.14841 29779.0183 27052.27362 41832.68418 40486.33066 41503.67911 40328.58406 41335.27239 45124.37224 42836.05323 42060.74101 42825.35423 418.8913054 746.459287 808.636787 417.4602029 877.5671071 1117.349248 erucamide_feature1 100016.336 119722.6632 104168.1001 97434.34741 147568.9692 144940.2306 139914.7676 172321.0748 120467.2123 152245.5786 113937.9077 151390.1943 148733.243 85167.31422 109567.2517 87691.09852 95969.99139 85635.25351 167397.7052 118496.0465 113253.8394 190029.1155 137502.4389 94766.25678 135018.2357 130013.2296 120517.2283 104012.0872 63131.81788 93034.6699 121582.8594 116182.5923 120264.1186 118737.1447 170248.5081 94063.15379 126146.8816 146856.5833 41628.55043 95862.25807 43567.49341 111002.8772 41131.94076 114133.7287 95521.42375 110134.9377 6747306.821 162231.1675 103412.7735 121525.0751 1636688.589 1492010.715 698656.6504 695036.7384 609190.4555 656376.8694 663624.1129 626952.7825 576682.5472 589683.2904 569664.3174 535876.4888 610568.6949 154760.7491 623086.7663 647756.2334 111384.4546 557342.6909 1051069.767 EA(22:0)_feature1 355358.0046 89025.81341 184536.7773 148733.8126 314753.1957 418926.7554 329586.578 342050.7628 58480.04709 186541.8282 141856.439 273162.091 139285.4797 106097.3999 84203.13364 499178.8563 152426.7812 261580.3466 327393.0187 390506.2121 421802.8632 319352.6787 315719.6052 479222.608 472184.0011 140581.6462 156525.4679 50407.80389 494803.3048 492073.3226 738889.2872 498633.8256 25215.40705 243132.5676 83249.41784 274646.4185 226653.8552 24259.47729 857802.2993 577177.5253 393301.4191 171777.7897 401846.7767 478807.1639 88756.50961 155124.662 385453.6957 293959.9782 75709.42502 153031.219 1945.128996 1803.759039 1827.955845 1836.880327 284137.0596 294610.375 305467.7274 282015.4743 281883.3139 258191.9195 262532.64 276228.0655 255046.4753 462.895109 1647.380642 1224.603495 451.966939 1312.366715 1285.57056 EA(18:0)_feature1 78094713.01 29256208.04 52279043.95 52857945.56 97389384.71 96807485.64 84356202.86 72286087.04 21709244.48 53987656.89 42897899.57 73189461.74 52233001.91 46644363.6 34959147.22 147529794.9 54919365.58 82153521.5 94395908.26 118066656.4 99310836.8 78050399.58 78022993.2 121458070 127817636.7 51534465.12 48991385.47 23171668.19 106627076.6 101616605.5 131640141 102633571.4 7984770.175 84449065.86 32194088.45 75197806.95 74844928.5 29917360.39 183796866.8 111725445.2 123814635.4 58530061.93 118912854.9 133762117.2 83477719.76 53050955.81 117565870.1 57191637 25592685.47 87190426.14 222328.5538 217855.9231 200712.3869 142667.2054 87209335.82 77713590.88 85160360.78 77072046.02 80663706 78986390.87 83136676.82 81305314.16 82519492.72 199692.5329 334655.1213 3356905.618 118894.2001 1407243.376 1365214.275 EA(17:0)_feature1 1522398.787 456843.8762 847692.61 939569.4966 1754375.174 1827523.852 1434838.678 1449789.575 310627.6607 919853.953 727917.5816 1093101.424 889866.2359 723023.7792 583375.6394 3424886.555 954361.6553 1681389.135 1930678.778 2369810.626 1827038.344 1468772.678 1398405.727 2939585.337 2522598.463 822588.7888 743899.3792 419827.8476 2038593.518 1738786.896 2340705.742 1746144.34 122585.9208 1795648.307 559340.5431 1110484.455 1394163.764 119466.0737 5576907.365 2333733.795 2075266.686 1168667.366 2640606.009 2252243.45 408665.0969 979307.5058 2528544.833 818423.0375 433964.408 1866295.363 6729.527405 3576.101041 6744.245844 6536.260101 1500120.93 1526652.865 1544466.784 1471453.929 1460725.308 1493677.844 1485376.119 1328478.446 1249769.014 5008.093015 10256.61187 13138.83294 3053.190464 10811.55007 8146.134896 EA(15:0)_feature1 350831.741 109749.5782 185999.7768 251348.8402 482861.0878 410201.2772 328835.3413 347918.8962 73799.90744 213084.366 194743.0722 349280.1076 235656.4153 187270.63 156359.9116 883466.159 236054.6882 400149.1475 474200.5936 568692.8092 451163.684 346716.2167 311493.8345 705794.2582 720821.792 275369.7253 257476.9156 129074.7945 462561.8998 364830.5041 639403.0503 492435.0318 28452.41658 466844.1367 146702.3217 301720.0936 330478.1047 32902.25336 1335094.313 515023.9082 580885.9905 322589.5376 565251.6103 670707.0743 106225.9147 270122.1754 722199.1039 225320.3738 118288.4886 446605.9542 877.8820351 752.6672633 1224.638686 498.1916811 366964.5559 366605.4377 384697.2981 377478.2948 358858.82 364569.2784 375166.1416 366428.2143 356077.5932 1215.402392 1593.316426 1519.77434 349.7665495 1549.158472 1758.38618 DG(40:7)>DG(18:1_22:6_0:0)_M+NH3_feature3 61776.11405 87752.09928 86334.11148 116449.4471 109809.5974 80231.44744 127149.1706 107304.5951 83671.45847 115367.9981 94067.69076 80650.74949 98832.41592 99203.23251 113368.7115 90980.58769 82922.94621 80570.15517 68759.6059 80274.5961 101999.2018 97296.21287 174860.9145 80541.95374 92012.35315 80181.93054 57446.9476 130310.2649 140069.4823 168224.9766 162619.6267 102636.9291 97536.62018 75402.17049 130807.4309 86289.28179 126062.5336 152358.212 123089.5959 158337.4315 82302.61005 55251.582 74546.71109 77107.65341 107366.1135 87142.50244 65880.95612 60767.41358 221697.7072 91322.72615 37382.58399 36116.57507 60875.35112 56364.88171 103006.6086 105142.541 109504.1681 95182.91795 103833.6953 97815.75893 98214.44152 93346.82989 91706.70865 286.9529197 323.8866819 345.7154127 261.380061 314.7810941 310.5184926 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 62532.63027 115770.2919 109849.4579 125885.1929 120206.5976 141423.8639 104113.1832 106610.9352 77405.88406 119251.9579 131483.6007 134937.9426 128439.2951 116153.4189 165922.0206 134051.8267 100937.6853 119176.1358 131138.3034 153123.8943 151983.7363 152968.7669 238492.8542 125114.3121 149599.9835 125933.9369 95733.20025 192578.9181 170963.865 150895.8549 185186.5772 126568.7072 115819.8552 105115.8353 122074.905 117546.8201 152948.9443 158008.7674 160237.845 172457.4973 116196.6909 87292.97455 99428.08794 112406.3128 163996.2751 151741.0575 107794.226 113412.4241 279102.5183 145166.5331 48103.6788 47408.9301 73200.40666 69561.80318 147579.9337 133756.0686 147872.6953 137381.5707 130326.5649 128981.067 138248.6453 134716.7798 139925.2951 226.4648674 365.7416351 416.2511239 207.0090164 481.9883717 483.2847545 DG(40:4)>DG(18:0_22:4_0:0)_M+NH3_feature3 52976.55644 51029.74372 53317.72362 66347.57176 56008.80047 67852.08729 68606.22926 72547.67145 52876.12199 68009.14794 70593.58564 53494.84836 45526.08879 41421.81012 62658.76674 54461.19322 45340.7039 65552.08392 56075.53311 64287.77311 57705.11408 51066.70989 84038.17264 63090.24881 71858.63599 46638.15634 42852.01969 73842.82959 68666.41005 67318.08793 92600.17608 55456.53455 59474.61223 57511.16758 72255.76431 53229.59516 76859.49329 77689.89873 74663.85421 87776.68479 57955.70122 43052.35746 53443.93912 61244.48017 82328.87518 81708.33942 48950.01126 55469.64595 121189.167 66139.83358 42137.58662 36894.52663 60395.58978 53128.64985 72083.25083 70133.47759 68610.82333 67330.55777 69432.93063 68118.99773 70212.88098 70967.85505 74921.7694 197.1972394 1060.982852 1222.228819 178.1781145 1027.77103 1025.856211 DG(38:6)>DG(18:2_20:4_0:0)_M+NH3_feature1 26479.12677 11203.8557 15340.61009 16726.45745 12459.07996 14956.35453 36090.09548 30033.29621 26052.19908 16038.64183 15391.2698 21408.72818 8858.127464 25556.70322 12568.22538 5818.433487 5438.129702 7960.341955 18560.94471 11052.68484 15686.56792 9011.220242 16954.90455 12248.1181 19900.6273 5818.036392 14002.12246 16425.11105 14704.82507 21281.81167 32979.88156 12728.5902 17164.1927 17331.61992 26916.74943 8928.03861 23339.5079 18918.42468 23307.52745 17625.05105 34415.96548 6272.426189 19454.89882 5028.887728 12380.60868 4480.569979 7422.513397 6396.132652 26404.92401 5107.472796 14270.07124 19712.67377 23009.95207 19308.48269 15185.97098 19164.98231 13430.69349 11915.61036 13299.18651 13620.58541 5142.201556 18554.15889 17013.08655 160.0041957 189.4034509 193.4896533 157.399581 199.1732102 220.988309 DG(38:5)>DG(18:1_20:4_0:0)_M+NH3_feature2 294260.6153 297200.7989 312978.375 380430.562 323215.1961 319853.8339 412729.1734 429995.3145 342131.166 417902.8984 310790.8788 300141.7759 294949.6565 384022.761 316535.8568 312371.2615 236180.9341 332823.4735 304216.1885 297579.2399 359424.9701 328875.7457 443026.1592 348092.9232 326585.4161 244041.905 205142.1812 370683.0337 348133.6423 317068.8549 462634.0583 305601.7448 317320.2692 299246.8916 340935.1779 264931.1213 379292.2694 377408.7811 395201.8372 403056.0369 292693.1004 226974.3672 260601.1187 229642.4636 291598.9535 292191.2804 213783.0036 202787.3881 423447.8774 253238.0929 246745.6007 219344.7556 296995.3977 291894.5772 334018.3804 327893.1122 323652.5391 329268.9976 319664.3455 323441.0366 315225.1234 322701.5103 307165.5714 849.3073674 5223.174032 4456.561834 800.3707558 4772.405776 5202.058327 DG(38:4)>DG(18:0_20:4_0:0)_feature6 3201102.921 3395007.083 3444000.743 3176456.596 3258387.282 4569993.169 4055704.056 4076608.288 2745860.764 3890137.691 3897428.085 3476297.833 3665373.057 3475944.976 3385741.374 3336532.478 3058535.653 4246908.223 3736103.57 3958596.971 3173002.692 3591596.853 4679236.755 3338248.108 3453285.691 2714978.402 2972448.141 4413213.805 3470119.562 3954178.911 3899393.856 3505020.166 3182904.834 3027489.379 3035728.317 3440160.461 3694804.015 3498272.863 3981013.463 4313885.965 3825580.889 2698754.149 3432959.369 3334174.209 3806570.35 4527841.932 2810514.991 2789843.108 4655988.942 3753493.024 2878508.311 2597183.853 4603424.843 4258965.994 3753443.523 3746254.476 3666791.492 3906096.035 3470938.623 3563337.811 3459540.614 3640662.086 3302446.937 1055.485135 9073.497015 8466.31502 995.8613686 7949.049875 8210.106806 DG(38:4)>DG(16:0_22:4_0:0)_M+NH3_feature4 33198.51952 30693.29468 40610.25444 58748.96196 51866.20197 60199.12287 62269.80153 64108.07462 50879.9202 71143.64099 56267.16668 46056.31188 32926.47844 47062.42042 52773.35683 39022.78595 39771.35257 51500.20655 41214.78922 44944.0026 49386.42464 42868.25372 80882.14299 48918.32592 59611.43609 38115.58601 29754.84035 66773.38922 58025.99219 54004.5264 95718.08416 55742.90335 58265.27581 53748.49215 65181.44507 44342.40499 63028.95287 68849.41069 70688.15198 72430.7886 46815.02662 32286.4233 38446.18505 34018.81846 57173.59166 52447.29547 33833.33289 38055.6104 100229.3043 46176.65107 27292.6169 33083.38302 36472.45377 35037.69689 48393.6133 46076.15205 58996.56427 51209.10001 52074.9775 46674.32853 48430.09179 52479.06676 49594.46823 231.7426288 405.9054718 461.9616489 228.736427 534.917818 536.3565628 DG(38:3)>DG(18:2_20:1_0:0)_M+NH3_feature2 25442.84699 18052.08548 47811.41704 27537.878 34171.94297 29732.58171 53780.94331 35868.37863 43992.15727 44698.21824 36840.45233 25675.27423 36193.41504 34003.18282 36548.12472 33672.99287 25601.45449 47832.75176 24436.95665 27066.77484 49752.64988 57348.41317 74145.36925 54176.60375 31537.50782 14522.89581 22120.66181 32566.19907 38958.13991 30513.25059 75478.64172 36315.37447 54915.48219 34902.52794 46769.72388 24103.08861 58593.57625 36414.66122 56270.7512 49068.79996 17273.32673 19071.28497 27096.92377 17728.61407 40593.70872 27228.10894 16143.65718 14709.89364 32765.09489 22540.26071 44865.3131 45610.98457 51481.95744 39351.56986 39744.56823 36097.86454 35365.77568 35880.51095 35618.13902 33968.10891 44243.21562 38577.66581 32668.4844 232.5457558 654.3999858 673.8111136 217.3180089 503.7922843 641.446022 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 270388.4813 242445.0442 255207.4327 295995.2341 240198.9743 257671.3595 364543.0414 377343.6487 243921.8957 324013.7295 289396.7505 280989.2249 282977.4941 357299.1244 286208.1941 249431.0183 210360.2723 282677.8525 258570.456 276756.3034 278997.1353 270723.8768 359023.3364 288034.4029 243090.603 204267.2005 215456.167 329061.5344 296344.1334 355758.8892 397630.2195 286141.8176 270078.9861 265485.1791 291990.333 212187.9278 299707.93 293292.7599 314683.503 328406.6298 296081.4631 179445.337 292144.9467 191342.6807 266260.5698 302620.8005 204057.2141 171207.2083 360213.342 241434.7694 250757.4537 215867.5506 261364.3191 266308.628 302728.1798 280767.0931 276294.3502 278582.4238 271779.6071 271284.1159 272227.7167 237023.4799 261384.697 683.584673 842.9163777 834.8800528 632.3265773 856.1484798 822.6059511 DG(36:4)>DG18:2_18:2_0:0)_feature1 251926.6134 241349.572 258657.1116 285111.4985 257946.1592 252743.0315 435991.1441 325602.7774 361874.3731 293446.9364 233937.605 251124.2951 275391.2146 338480.4484 194497.1329 186647.0411 186148.6249 239274.643 206435.81 265561.756 383258.4736 336523.3054 461665.2137 310517.927 292076.7209 150984.9462 113843.6239 318587.4077 246239.4718 306304.1171 429500.8708 308510.6028 289902.1122 292650.5618 341676.857 281273.1848 365157.1969 328546.8996 366457.7962 387389.5835 270927.3339 211100.4027 264288.0601 177615.8789 252723.7222 205059.8166 160943.6276 164733.2986 303842.8054 235803.8978 601298.224 546537.2799 503928.9262 491513.3856 284987.9901 289695.2585 282269.2211 288358.8793 292027.4585 281864.2133 280116.3985 281033.0547 298099.3165 612.290747 756.7526659 774.2311869 585.8344012 620.8136468 696.9433049 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 292633.3253 264924.361 297219.0231 359076.1737 315369.1002 374876.721 553440.4645 415418.3576 429084.9157 371731.5365 336906.6737 340024.9814 330395.0361 418220.469 279286.425 274778.4904 225084.4641 318065.1263 245575.0831 312693.4365 484126.3916 350473.024 644462.096 338858.3794 392648.9858 183205.3506 129529.0473 416099.8954 372055.4547 344425.9522 592353.8328 363903.4479 354993.0826 312619.0611 489348.3659 315894.2217 470320.3337 457299.9623 470351.0971 500482.0869 362000.8793 245830.494 336061.5012 231941.1244 408595.681 318651.3735 208010.2603 207651.6308 478340.0191 317356.0168 568527.1819 553433.667 653261.5706 597363.5579 396408.0915 392717.2359 403721.7902 340622.9516 360464.8002 353454.2199 347539.0962 356208.1397 344768.9017 293.4289961 396.0749381 408.800384 279.5011697 1133.117588 431.1293901 DG(36:2)>DG(18:1_18:1_0:0)_M+NH3_feature3 90435.69511 92409.47637 100649.8466 101499.6476 90090.02542 120233.3258 172565.3288 129668.8432 123745.3462 122861.8697 97021.05401 82373.2798 104502.7518 143259.0658 86062.2699 83132.9829 70027.76502 106587.6228 90371.19798 99783.15854 144244.4485 106893.9497 180900.8067 129774.4991 120551.1272 56338.70854 45096.71984 106861.3777 95811.05814 108451.6668 157359.64 113101.9169 109073.5485 119447.5851 130436.5045 100309.2363 145029.8569 146855.5005 142406.4444 154300.2095 111365.3128 67766.14196 128262.5069 76523.08728 108501.5162 99577.42738 68058.37335 64011.54849 142639.3241 101180.106 164446.2606 149049.7409 206710.5873 194794.6405 120243.9293 135776.5492 108433.417 113127.9687 123242.2194 98101.81813 121292.7114 111795.1389 91217.90995 219.6746451 1888.437051 1762.066262 208.0035157 1654.409571 1708.742491 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature4 287894.7788 350825.6016 388888.38 394946.6311 399610.6188 522157.9082 464128.9241 401715.0807 365678.1378 367045.7936 345470.8935 410198.3346 440561.3103 479002.1069 345464.159 380229.0486 284488.5131 467884.5011 416383.3257 433128.1956 440945.5061 476668.8644 564859.6252 367515.4887 405086.252 262937.2469 231830.7358 476100.5213 396566.2999 366257.7889 488789.3948 371633.3699 434876.8159 324594.3722 385309.0689 367968.9536 532952.5658 380406.2433 458384.0426 503882.5918 391473.4793 241402.9388 319885.7836 256386.4694 388743.5645 407350.1693 233304.3353 218420.4802 540573.9905 301201.9976 444944.8627 420769.499 610438.6757 511677.9697 415234.2122 386540.375 397026.848 380695.1203 363327.1567 388202.6979 363042.9697 373602.0372 368362.6698 231.6152893 557.2874357 1286.385637 238.6959564 501.7765011 638.8794561 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature2 84660.13667 77303.33187 97237.16039 96178.74503 91071.57116 110390.9037 132542.6667 119048.1801 103156.9342 96881.79701 92764.22303 90992.80157 111570.4836 131713.4988 90648.97367 98214.62068 73752.94567 114189.7547 80358.53032 92689.26541 130113.0839 120131.7379 151671.5113 120176.7748 106296.282 61798.4696 58576.92907 101408.7538 100491.6708 80206.80546 149739.432 88202.84836 107941.0322 91393.56432 106521.4875 77770.17945 126869.7008 108005.9968 139326.1414 115624.3656 95292.67393 65081.58815 79894.22972 64745.74946 102859.2746 96243.17247 66871.83735 57264.68089 129223.0107 86039.56651 122000.4133 116347.1151 159306.0262 139692.6511 106058.7288 103178.5056 102370.4387 95438.66671 100929.5538 96371.95912 105083.1294 94114.56925 100444.2338 223.248949 1878.642222 2721.699937 220.180968 1918.233212 1984.820566 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature4 294320.6571 282280.4913 372569.8352 381735.2861 390994.2208 446675.7792 545142.5987 413160.7798 451159.8526 397017.9768 381122.8675 405933.2054 375246.6764 389763.4457 324269.3907 331948.6628 281628.1772 382705.6231 294918.0818 445751.8397 526416.3859 418211.3088 583722.1079 381015.6912 421326.7939 234565.5717 163523.1027 493770.9114 441031.4286 361358.3546 603528.9017 386724.5831 395107.2297 369743.6293 469811.5224 311536.7868 489754.2372 465962.1734 455410.4309 469650.4825 429590.2405 342268.5434 347308.6799 283013.567 429487.8875 387504.8114 267900.2488 249962.0472 516551.032 405676.253 714366.3394 649899.7114 708323.8046 691266.849 419748.117 419723.3647 439334.5976 421808.2839 390792.0904 399061.7425 387350.2667 395366.5081 379237.3684 266.5575295 402.9701824 664.6288878 253.6992291 523.542797 434.7107511 DG(34:1)>DG(16:0_18:1_0:0)_feature2 697619.6593 623436.6813 686889.8666 759593.1508 744463.0723 796507.3734 1010869.285 855038.136 841968.5637 770625.3235 677346.513 701190.869 762563.771 890381.1658 647718.9868 639331.2109 562039.6165 656770.4222 628181.613 687503.1553 823036.5495 691386.5819 977549.8601 799026.4374 769613.344 520103.8234 483021.347 707778.4954 702542.0021 662816.215 979659.8996 754676.0656 823047.5323 779366.2171 841148.0052 747981.8301 900285.2381 889299.8732 941043.5043 912666.9581 749906.5823 568924.2242 759795.2594 573283.5635 674786.6999 761615.7575 502470.1481 567031.5838 855317.8779 738049.008 1007781.704 948332.6985 1200190.368 1143283.683 769019.582 798319.8436 760364.2913 738428.3047 738944.8301 761952.3716 715591.3953 781050.4272 690518.0939 1194.469841 28727.21655 27869.4234 1137.887616 26580.33258 31273.08181 DG(34:0)>DG(16:0_18:0_0:0)_M+NH3_feature2 248972.4326 243990.4191 257950.1309 245037.4677 248562.8088 267789.0705 266324.2222 254356.224 243422.6255 239408.5425 247395.7589 278033.6526 250479.2762 260658.8866 235134.9132 227871.4783 234299.8821 261594.1212 240794.8338 274506.9131 278437.8112 264739.0083 280481.0473 257920.1086 264573.0915 228378.1059 241742.3905 243711.3023 253657.8682 237661.4222 266527.314 240513.876 254968.3744 242772.4806 245222.344 243042.7593 258842.1718 249400.2368 271598.7604 250534.2921 252279.1006 242028.4037 244808.9225 226161.4996 255510.5404 246840.1352 243294.4644 240381.5472 250604.7317 250358.8434 289799.9902 276214.7986 300904.4229 259176.352 270651.198 259277.5092 250176.9358 261543.2509 249907.2191 247614.5249 258441.7493 249118.1199 256826.9641 3875.616993 13669.32644 16049.13966 5146.416307 14409.68279 16488.6925 DG(32:0)>DG(16:0_16:0_0:0)_feature2 254517.0027 262816.9832 267880.8541 282610.0249 284911.871 303335.2004 334339.5955 295280.1692 293155.4058 273950.292 299339.4205 311948.0154 290790.4023 307913.9047 260572.6138 242603.1408 259651.5415 278956.4561 283748.4041 280814.9435 286854.4697 262974.9691 317250.9445 287328.1194 282975.1421 256260.6715 255296.9096 267707.6412 298817.4606 266333.6661 318119.2 268342.1687 262262.057 298830.3808 273208.6312 283170.4266 287383.2913 283211.3645 315408.6554 310419.2288 324055.6685 273864.3166 284800.8097 256820.1642 268616.4492 299072.7095 249326.8281 268525.1508 295933.5424 292593.9748 313498.9571 326515.5765 353902.0189 334470.7022 286807.3889 301875.2818 279858.3403 292135.2778 293457.403 297386.3379 276722.6575 306218.5169 275325.3649 1009.144218 9399.47985 7425.082117 1143.978309 8917.60257 9248.903587 Coenzyme Q9_feature1 18358840.36 26186618.15 24678442.63 27547056.75 42770625.33 26153136.01 30907242.95 31855789.23 33752729.59 32363488.22 54871115.07 43926014.98 38197717.07 33103195.61 33909775.22 41176138.78 45173498.76 34503109.26 20052028.52 16999559.22 57614411.63 31621527.72 32961470.22 43883547.62 37221435.23 28198735.92 24938462.63 39192501.94 61399094.7 47570367.06 53646758.15 37579855.08 35378806.62 33121379.48 27356746.91 24880712.11 22895215.68 36298965.26 19544219.24 26358229.68 22841369.43 41559078.02 24474061.43 30715452.41 43978990.79 25060408.63 32877950.54 35343711.59 41142034.22 30136070.19 37545312.35 40208843.82 38411581 41110052.69 34043923.63 33923740.37 32906091.78 32133923.5 32504944.21 33718398.85 31281586.03 31811274.04 32670838.46 1718.885558 1905.526146 1988.437043 1731.104743 2260.798148 2750.208942 Coenzyme Q10_feature1 1169828.484 1732143.462 1618139.977 2148848.577 3435595.554 2040319.409 2296622.787 2404502.111 2514774.644 2423592.45 4088798.404 3442926.827 2690472.166 2154637.412 2486033.609 2852310.065 3452044.517 2420729.339 1361513.306 1190409.113 4887385.518 2268704.741 2545102.214 3690422.502 3107214.741 1846420.825 1676122.219 2805665.221 4662660.711 3495273.819 4187754.815 2886955.526 2573679.268 2528233.894 1981753.258 1775924.098 1548287.965 2669680.091 1596198.249 1928671.642 1471765.519 3043630.322 1665701.673 2040451.701 3436210.287 1451705.94 2112536.484 2679775.016 2764532.925 2158106.826 2994811.233 3139946.858 3086451.614 3093999.974 2695799.988 2524176.971 2500704.061 2394487.888 2412294.53 2402480.258 2563879.722 2325001.63 2489069.793 1066.724838 1128.011339 1170.726731 1091.211868 1278.939831 1218.833151 cholesterol M - H2O_feature1 427163.0613 494366.2509 694193.503 440956.8399 435345.7662 482041.7419 282954.5955 691974.6738 626876.648 535626.9016 587078.2474 484779.8565 545225.6231 591366.0237 590319.0105 581683.6008 615694.4977 516834.2027 491390.6534 442722.8772 358548.2367 501332.3716 360744.1089 812542.9292 667443.4114 637963.8612 422266.0828 427875.966 760341.6035 495732.8831 564164.8962 470206.6774 607357.0376 683894.2667 588537.6128 547234.2045 639370.6762 369513.1266 405807.3502 490282.3166 419670.0861 712437.9983 458367.5799 600606.2038 662916.351 483608.4196 439315.466 380774.349 533757.7836 440060.4082 569227.1777 549554.337 395266.7025 529552.189 558544.6588 457277.2582 454911.3512 380341.5643 502563.3614 609673.7501 410493.454 648541.8317 564009.191 533.4583823 1390.733779 1336.880894 502.8133764 2309.328363 1487.963803 Cer(d44:2)>Cer(d18:1/26:1)_feature1 42486.54376 70377.5616 73667.50376 81171.2136 54432.74837 68936.84344 64192.38142 53510.2087 50230.54568 65771.34171 75438.46363 73756.74195 62402.0622 50240.28361 95500.46339 116904.9849 85330.58257 78073.07888 73237.84433 81923.35151 74904.43837 57864.10468 81418.60592 60099.67206 74600.03132 77471.66249 55069.72941 115391.1167 110155.9929 84673.24034 85781.84536 62794.2786 69963.87351 51856.53285 80018.0159 61934.79149 84569.17801 90742.88318 77158.20061 75709.44154 86697.83038 93387.0688 75801.1124 85033.35504 133154.3313 107676.227 80223.12239 95363.11909 149825.293 85805.08665 42412.51908 37126.60395 39700.17757 31893.20395 78457.38557 83265.5779 83443.61736 79701.98223 82201.07197 75522.50035 83521.96299 77432.8708 77383.97084 721.196226 1010.76965 1263.181572 755.3340871 1329.130362 1807.183914 Cer(d44:1)>Cer(d18:1/26:0)_feature1 41314.77836 51958.70756 58423.5107 67861.24383 46893.61636 71848.34093 52977.07534 43772.96219 49778.90746 57848.89359 62153.74844 63682.63245 48065.94578 37380.85443 62992.55784 84396.90266 54057.09943 61920.19644 59729.95325 63130.41575 56156.33183 47884.08938 61964.52872 48428.18245 57691.60714 50357.62366 39990.41651 79351.24614 83400.82588 60211.76059 62196.47441 53765.14626 51645.76759 41796.52298 64466.52947 44705.57508 59158.04855 62267.37911 60239.07355 54201.43793 67974.53072 63107.22955 53907.20479 59183.93132 88156.54455 80851.69661 60369.82434 55934.01644 110089.4869 67220.77385 38911.3646 37136.64258 38491.19636 33449.32029 60027.52721 58319.54008 58604.72479 56301.03175 52400.91222 57845.42506 59929.69302 53714.03495 58477.35311 701.1625093 905.5743034 887.6832966 695.0634787 1004.457132 1020.023161 Cer(d43:1)>Cer(d18:1/25:0)_feature2 49451.9215 54492.48463 70834.167 71585.36456 56748.61654 93100.93693 48517.02946 57331.71663 59524.14162 61915.29076 62359.68616 40928.34355 48054.87253 41032.3505 61975.20481 64328.18542 46326.9649 44210.83931 39839.63198 73246.88022 5416.425919 59659.79381 65292.07558 3512.161055 58735.20415 52640.46136 41439.68534 56457.32704 52206.99215 48441.40106 2065.458256 59292.0393 54016.04805 4991.133367 5415.940186 53661.00888 70632.72804 4410.753339 61415.34227 69423.76572 59038.41132 43110.03527 47646.37736 65196.94164 76973.52958 65595.86311 59035.54972 56007.26142 70085.97578 62095.76829 46403.31431 47314.9343 48953.05137 1842.317585 53273.32288 71829.39468 62709.13323 65382.42375 59333.89551 59653.65924 56382.28844 39395.0122 41247.27572 271.4082921 378.6602793 393.0402688 261.4219988 456.345058 541.2962496 Cer(d43:1)>Cer(d18:1/25:0)_feature1 134361.4151 142069.7476 153405.0359 192913.8155 179705.9359 170895.5959 230444.9269 194106.1675 144952.1893 153473.6276 109801.7221 87912.86385 104219.6955 76466.15853 137613.8902 98495.32073 92288.60079 121216.707 80949.60202 78234.18141 195722.0535 157760.1156 237164.1789 206891.4342 174887.1301 91308.3567 76586.30751 123715.8083 112632.3649 102625.3659 280053.8527 278630.6728 172649.8015 211983.2389 261987.1533 180468.254 239017.7556 250163.8511 221118.059 249021.3185 100082.426 115716.4203 99008.31701 90058.32566 141418.3332 119716.8476 104159.8072 110725.904 191174.8708 120633.4564 123237.3017 123670.4014 165172.8538 178035.5423 161030.0872 143739.4376 139948.6281 145175.4234 138169.2862 129731.5037 130189.5727 166939.0508 127641.2113 487.4383007 546.9349921 641.7603632 471.6824589 704.57668 1015.092127 Cer(d42:3)_feature2 210122.0465 231570.0808 299105.5412 280000.6822 290583.0021 293425.0976 254465.6924 229517.5936 213643.3119 240713.0307 272223.174 275644.6692 324206.1715 222019.3844 317103.2069 273699.1098 205672.9522 248975.3013 248624.5545 270615.8882 297702.6047 286489.4316 335873.0753 223403.7566 264232.1275 223929.9811 209972.2863 331412.3344 310879.7053 268131.192 286456.5639 223310.8057 241170.8253 234194.8074 261716.0628 231979.6145 260298.0081 267921.4768 223105.5983 279037.9331 286281.3882 259155.9117 223308.6908 202910.7568 357216.5398 310310.1521 210888.431 277495.5657 367847.7064 220116.0147 189392.4771 189187.4408 215991.3891 197011.5081 246925.0411 260664.3897 280096.3459 264032.2983 234503.3648 257922.1037 262132.7909 263313.2204 252538.2028 764.8787046 1238.160275 2496.530681 762.2655688 2582.03964 2040.234863 Cer(d42:2)>Cer(d18:2/24:0)_feature4 459888.7905 479304.5956 623374.4192 601785.9713 576206.3916 659911.2553 627290.2493 493764.2659 483629.0256 527316.8706 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196999.1198 313572.9939 289905.8241 224482.9487 510166.2604 169573.2135 210750.6738 192724.3114 270367.1164 287175.024 324388.3915 310308.8039 327292.8015 338834.6573 272052.7064 325961.232 332128.8944 332497.319 319657.5225 1299.473132 4526.401526 4840.756817 1354.159523 4473.78703 4533.054452 arginine_feature1 86096.11487 135914.7103 189667.0262 127533.4157 149270.8117 193168.9996 140640.9507 90658.30256 106048.0647 174835.5289 198786.1651 114236.0753 149480.6969 61077.35987 146161.4278 121528.3301 111281.1668 59200.11136 124189.2832 134004.1982 105106.6922 166237.6701 142087.3018 98693.39204 169955.6319 124927.9666 82545.10291 203739.7049 147618.2169 175654.1184 119532.9877 103916.6861 79631.19334 93090.72385 119265.0262 102974.4162 215754.0964 122359.1135 109729.2868 123664.5702 134097.9995 82050.9295 101959.8944 121170.5682 158954.4195 120269.7747 86450.77652 103783.3718 310644.0106 141618.5852 57622.38772 57533.17147 63030.80459 83584.13219 98746.00422 114905.7713 136993.4345 140615.9817 130153.4378 131596.7436 104355.2026 95301.07123 92168.73966 185.1487508 8953.833272 8956.643256 199.2125126 7584.437097 7345.977526 adenosine_feature1 189786.4505 135639.3309 137256.3851 108185.9471 135612.4793 37154.96994 146955.6838 192956.0523 81824.48234 98108.49655 18775.00749 55631.89402 198047.4387 107416.9924 126726.3827 112709.1905 60714.11702 131883.1814 63782.29386 315628.9155 204824.4902 273905.505 136423.3526 48655.27774 176796.4816 220168.2216 175541.0041 402921.7051 57299.32203 51198.49517 93539.28514 125562.8404 129257.4316 302454.2121 100866.828 229966.6641 133976.1913 142506.2301 166795.3517 270287.616 199777.3737 37330.87798 162580.5404 38139.41386 239812.497 290446.8856 85606.42833 82921.52457 326666.3399 245919.4781 516418.9541 619171.2439 367551.7005 297335.6315 137217.483 158235.9384 197526.3507 179936.6223 131118.3367 199534.0606 88042.80254 161769.5573 170658.1825 163.3297143 7743.898712 7746.328981 126.1100569 6689.51814 6573.405663 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 829.7974266 828.7902 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_[istd]_M+NH3 8.721 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd] C41 H72 D9 N2 O6 P 738.6453666 737.6381 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd] 4.281 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_[istd] C42 H75 D7 N O13 P 847.6015166 846.5942 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_[istd] 4.131 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] C39 H68 D7 O10 P 742.5595466 741.5523 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] 4.3 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] C38 H67 D7 N O8 P 711.5653066 710.558 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] 4.886 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 487.3517066 486.3444 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] 2.126 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd] C41 H73 D7 N O8 P 753.6125566 752.6053 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd] 4.64 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 529.3985866 528.3913 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] 2.082 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] 6.364 GTInternalStandard_CE(18:1(9z,d7))_[istd] C45 H71 D7 O2 658.6504166 657.6431 GTInternalStandard_CE(18:1(9z,d7))_[istd] 9.691 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_[istd] C39 H67 D7 N O10 P 755.5541666 754.5469 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_[istd] 4.207 Ubiquinol Q9_feature1 C54 H84 O4 814.6704066 813.6631 Ubiquinol Q9 7.167 Ubiquinol Q10_M+NH3_feature1 C59 H95 N O4 882.7328666 881.7256 Ubiquinol Q10 7.604 TG(60:4)_M+NH3_feature1 C63 H117 N O6 984.8937966 983.8865 TG(60:4)_lp_a 9.609 TG(60:3)_M+NH3_feature2 C63 H119 N O6 986.9095966 985.9023 TG(60:3)_lp_b 9.768 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature5 C63 H105 N O6 972.7994466 971.7922 TG(60:10)_lp_e 8.405 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 C63 H105 N O6 972.7994266 971.7922 TG(60:10)_lp_c 8.148 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature4 C63 H105 N O6 972.7994266 971.7922 TG(60:10)_lp_d 8.28 TG(58:9)_M+NH3_feature3 C61 H103 N O6 946.7843566 945.7771 TG(58:9)_lp_c 8.134 TG(58:9)_M+NH3_feature2 C61 H103 N O6 946.7843166 945.777 TG(58:9)_lp_b 7.96 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature4 C61 H105 N O6 948.8001466 947.7929 TG(58:8)_lp_d 8.268 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature1 C61 H105 N O6 948.8005866 947.7933 TG(58:8)_lp_a 7.947 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 948.8003866 947.7931 TG(58:8)_lp_f 8.553 TG(58:8)_M+NH3_feature5 C61 H105 N O6 948.8003666 947.7931 TG(58:8)_lp_e 8.445 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 C61 H107 N O6 950.8146966 949.8074 TG(58:7)_lp_c 8.565 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 C61 H107 N O6 950.8158566 949.8086 TG(58:7)_lp_e 8.905 TG(58:6)>TG(18:0_18:0_22:6)_M+NH3_feature7 C61 H109 N O6 952.8308666 951.8236 TG(58:6)_lp_g 9.34 TG(58:6)_M+NH3_feature5 C61 H109 N O6 952.8303066 951.823 TG(58:6)_lp_e 8.916 TG(58:6)_M+NH3_feature3 C61 H109 N O6 952.8220366 951.8148 TG(58:6)_lp_c 8.721 TG(58:6)_M+NH3_feature2 C61 H109 N O6 952.8308566 951.8236 TG(58:6)_lp_b 8.621 TG(58:6)_M+NH3_feature6 C61 H109 N O6 952.8308566 951.8236 TG(58:6)_lp_f 9.062 TG(58:5)_M+NH3_feature6 C61 H111 N O6 954.8466766 953.8394 TG(58:5)_lp_f 9.334 TG(58:4)_M+NH3_feature5 C61 H113 N O6 956.8621566 955.8549 TG(58:4)_lp_e 9.447 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature3 C61 H115 N O6 958.8781666 957.8709 TG(58:3)_lp_c 9.623 TG(58:2)_M+NH3_feature3 C61 H117 N O6 960.8938166 959.8865 TG(58:2)_lp_c 9.75 TG(58:11)_M+NH3_feature2 C61 H99 N O6 942.7531466 941.7459 TG(58:11)_lp_b 7.802 TG(58:11)_M+NH3_feature1 C61 H99 N O6 942.7530066 941.7457 TG(58:11)_lp_a 7.607 TG(58:10)_M+NH3_feature3 C61 H101 N O6 944.7690066 943.7617 TG(58:10)_lp_c 8.01 TG(58:10)_M+NH3_feature2 C61 H101 N O6 944.7690966 943.7618 TG(58:10)_lp_b 7.825 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 962.9097966 961.9025 TG(58:1)_lp_a 9.941 TG(57:4)_M+NH3_feature2 C60 H111 N O6 942.8473266 941.8401 TG(57:4)_lp_b 9.393 TG(57:3)_M+NH3_feature1 C60 H113 N O6 944.8615566 943.8543 TG(57:3)_lp_a 9.536 TG(57:2)_M+NH3_feature1 C60 H115 N O6 946.8775266 945.8703 TG(57:2) 9.687 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature3 C59 H101 N O6 920.7693666 919.7621 TG(18:2_18:2_20:4)_lp_c 7.955 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature1 C59 H101 N O6 920.7596266 919.7524 TG(18:2_18:2_20:4)_lp_a 7.707 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature5 C59 H101 N O6 920.7694466 919.7622 TG(16:0_18:2_22:6)_lp_e 8.138 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 C59 H103 N O6 922.7846566 921.7774 TG(16:0_18:1_22:6)_lp_f 8.472 TG(56:7)_M+NH3_feature5 C59 H103 N O6 922.7846866 921.7774 TG(56:7)_lp_e 8.278 TG(56:7)_M+NH3_feature3 C59 H103 N O6 922.7857466 921.7785 TG(56:7)_lp_c 8.079 TG(56:7)_M+NH3_feature2 C59 H103 N O6 922.7762466 921.769 TG(56:7)_lp_b 7.959 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 924.8004066 923.7931 TG(56:6)_lp_c 8.622 TG(56:6)>TG(18:0_16:0_22:6)_M+NH3_feature5 C59 H105 N O6 924.8003966 923.7931 TG(56:6)_lp_e 8.931 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature4 C59 H107 N O6 926.8161166 925.8088 TG(16:0_18:1_22:4)_lp_d 8.933 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature1 C59 H107 N O6 926.8148966 925.8076 TG(16:0_18:1_22:4)_lp_a 8.397 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 C59 H107 N O6 926.8160466 925.8088 TG(16:0_18:1_22:4)_lp_e 9.091 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature3 C59 H107 N O6 926.8158366 925.8086 TG(16:0_18:1_22:4)_lp_c 8.806 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 928.8303766 927.8231 TG(56:4)_lp_d 9.167 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 928.8221466 927.8149 TG(56:4)_lp_b 8.939 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature6 C59 H109 N O6 928.8304466 927.8232 TG(56:4)_lp_f 9.429 TG(56:3)>TG(18:1_18:1_20:1)_M+NH3_feature3 C59 H111 N O6 930.8464666 929.8392 TG(18:1_18:1_20:1)_lp_c 9.458 TG(56:2)_M+NH3_feature3 C59 H113 N O6 932.8625666 931.8553 TG(56:2)_lp_c 9.604 TG(56:10)>TG(18:2_18:3_20:5)_M+NH3_feature1 C59 H97 N O6 916.7375966 915.7303 TG(18:2_18:3_20:5) 7.662 TG(56:1)_M+NH3_feature2 C59 H115 N O6 934.8785866 933.8713 TG(56:1)_lp_b 9.771 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 912.7998766 911.7926 TG(55:5)_lp_b 8.615 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 914.8161366 913.8089 TG(55:4)_lp_b 8.966 TG(55:3)>TG(18:1_18:1_19:1)_and_TG(18:1_18:2_19:0)_M+NH3_feature3 C58 H109 N O6 916.8313866 915.8241 TG(55:3)_lp_c 9.353 TG(55:1)>TG(18:0_18:1_19:0)_and_TG(16:0_18:1_21:0)_M+NH3_feature2 C58 H113 N O6 920.8625066 919.8552 TG(55:1)_lp_b 9.685 TG(54:8)_M+NH3_feature1 C57 H97 N O6 892.7374966 891.7302 TG(54:8)_lp_a 7.606 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature2 C57 H99 N O6 894.7535166 893.7462 TG(18:2_18:2_18:3)_lp_b 7.826 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 894.7535466 893.7463 TG(54:7)_lp_d 8.086 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 C57 H98 O6 879.7427266 878.7355 TG(54:6)_lp_d 8.085 TG(54:6)>TG(18:2/18:2/18:2)_M+NH3_feature3 C57 H101 N O6 896.7596266 895.7524 TG(18:2_18:2_18:2)_lp_c 8.008 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature1 C57 H101 N O6 896.7593866 895.7521 TG(54:6)_lp_a 7.852 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 C57 H101 N O6 896.7693866 895.7621 TG(16:0_18:2_20:4)_lp_e 8.281 TG(54:6)>TG(16:0_16:0_22:6)_M+NH6_feature6 C57 H101 N O6 896.7693766 895.7621 TG(54:6)_lp_f 8.491 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 898.7844766 897.7772 TG(54:5)_lp_e 8.637 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_feature3 C57 H103 N O6 898.7744166 897.7671 TG(54:5)_lp_c 8.532 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 C57 H100 O6 881.7579966 880.7507 TG(18:1_18:2_18:2)_lp_d 8.405 TG(54:5)>TG(18:1_18:2_18:2)_and_TG(16:0_16:0_22:5)_and_TG(16:0_18:1_20:4)_M+NH3_feature1 C57 H103 N O6 898.7848166 897.7775 TG(54:5)_lp_a 8.024 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 900.8026266 899.7954 TG(54:4)_lp_c 8.472 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature2 C57 H105 N O6 900.8005566 899.7933 TG(18:1_18:1_18:2)_lp_b 8.343 TG(54:4)>TG(18:1_18:1_18:2)_feature4 C57 H102 O6 883.7734366 882.7662 TG(18:1_18:1_18:2)_lp_d 8.757 TG(54:4)_M+NH3_feature6 C57 H105 N O6 900.8000066 899.7927 TG(54:4)_lp_f 9.107 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature7 C57 H107 N O6 902.8070866 901.7998 TG(18:1_18:1_18:1)_lp_g 9.089 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature5 C57 H107 N O6 902.8166466 901.8094 TG(18:1_18:1_18:1)_lp_e 8.688 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature8 C57 H107 N O6 902.8159466 901.8087 TG(18:1_18:1_18:1)_lp_h 9.127 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 902.8159266 901.8087 TG(54:3)_lp_i 9.216 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature3 C57 H109 N O6 904.8319566 903.8247 TG(54:2)_lp_c 9.451 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 906.8473766 905.8401 TG(54:1)_lp_c 9.623 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature1 C56 H101 N O6 884.7686966 883.7614 TG(17:1_18:2_18:2)_lp_a 8.226 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 886.7848266 885.7776 TG(53:4)_lp_c 8.623 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature2 C56 H103 N O6 886.7848366 885.7776 TG(53:4)_lp_b 8.555 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature3 C56 H105 N O6 888.8005766 887.7933 TG(53:3)_lp_c 8.785 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 888.8007266 887.7935 TG(53:3)_lp_e 9.001 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 888.8009266 887.7937 TG(53:3)_lp_d 8.91 TG(53:2)_M+NH3_feature4 C56 H107 N O6 890.8162066 889.8089 TG(53:2)_lp_d 9.34 TG(53:2)_M+NH3_feature1 C56 H107 N O6 890.8167266 889.8095 TG(53:2)_lp_a 8.941 TG(52:6)>TG(16:1_18:2_18:3)_and_TG(16:2_18:2_18:2)_M+NH3_feature2 C55 H97 N O6 868.7378966 867.7306 TG(52:6)_lp_b 7.784 TG(52:6)_M+NH3_feature4 C55 H97 N O6 868.7379466 867.7307 TG(52:6)_lp_d 7.902 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature3 C55 H99 N O6 870.7535366 869.7463 TG(16:1_18:2_18:2)_lp_c 8.043 TG(52:5)>TG(16:0_18:2_18:3)_M+NH3_feature6 C55 H99 N O6 870.7531766 869.7459 TG(16:0_18:2_18:3)_lp_f 8.242 TG(52:5)>TG(16:0_18:2_18:3)_M+NH3_feature5 C55 H99 N O6 870.7534966 869.7462 TG(16:0_18:2_18:3)_lp_e 8.139 TG(52:4)>TG(16:1_18:1_18:2)_feature5 C55 H98 O6 855.7426966 854.7354 TG(16:1_18:1_18:2)_lp_e 8.426 TG(52:4)>TG(16:0_16:0_20:4)_and_TG(16:1_18:1_18:2)_and_TG(16:0_18:1_18:2)_M+NH3_feature6 C55 H101 N O6 872.7691966 871.7619 TG(52:4)_lp_f 8.657 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature3 C55 H103 N O6 874.7849666 873.7777 TG(52:3)_lp_c 8.78 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature5 C55 H102 O6 859.7742566 858.767 TG(52:2)_lp_e 9.153 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_feature3 C55 H104O6 861.7903366 860.7831 TG(52:1)_lp_c 9.464 TG(52:1)_M+NH3_feature1 C55 H107 N O6 878.8080066 877.8007 TG(52:1)_lp_a 8.824 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 C55 H109 N O6 880.8319066 879.8246 TG(16:0_16:0_20:0)_lp_c 9.642 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 858.7535666 857.7463 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 860.7690966 859.7618 TG(51:3)_lp_c 8.572 TG(51:2)_M+NH3_feature2 C54 H103 N O6 862.7848466 861.7776 TG(51:2)_M+NH3_lp_b 8.938 TG(51:2)_M+NH3_feature3 C54 H103 N O6 862.7848166 861.7775 TG(51:2)_lp_c 9.035 PC(35:1)>PC(17:0_18:1)_M+H2CO2_feature2 C54 H105 N O6 864.8001066 863.7928 TG(51:1)_lp_b 9.26 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 866.8161866 865.8089 TG(51:0)_lp_b 9.558 TG(50:5)_M+NH3_feature2 C53 H95 N O6 842.7221666 841.7149 TG(50:5)_lp_b 7.799 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 C53 H97 N O6 844.7379166 843.7306 TG(51:2)_lp_b 8.036 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 844.7377966 843.7305 TG(50:4)_lp_c 8.249 TG(50:3)_M+NH3_feature1 C53 H99 N O6 846.7532966 845.746 TG(50:3)_lp_a 7.979 TG(50:3)_M+NH3_feature3 C53 H96 O6 829.7269766 828.7197 TG(50:3)_lp_c 8.367 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature3 C53 H101 N O6 848.7693766 847.7621 TG(50:2)_lp_c 8.808 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature2 C53 H101 N O6 848.7693466 847.7621 TG(50:2)_lp_b 8.723 TG(50:1)>TG(16:0_16:0_18:1)_feature4 C53 H100 O6 833.7586266 832.7514 TG(16:0_16:0_18:1)_lp_d 9.182 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 C53 H105 N O6 852.8006766 851.7934 TG(16:0_16:0_18:0)_lp_c 9.478 TG(49:3)_M+NH3_feature2 C52 H97 N O6 832.7377966 831.7305 TG(49:3)_lp_b 8.179 TG(49:2)_M+NH3_feature3 C52 H99 N O6 834.7532166 833.7459 TG(49:2)_lp_c 8.592 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 836.7692166 835.7619 TG(49:1) 8.962 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 838.7849166 837.7776 TG(49:0) 9.377 TG(48:4)>TG(12:0_18:2_18:2)_M+NH3_feature2 C51 H93 N O6 816.7064666 815.6992 TG(12:0_18:2_18:2)_lp_b 7.685 TG(48:4)>TG(12:0_18:2_18:2)_and_TG(14:1_16:1_18:2)_M+NH3_feature2 C51 H93 N O6 816.7065166 815.6992 TG(48:4)_lp_b 7.818 TG(48:3)_M+NH3_feature2 C51 H95 N O6 818.7222166 817.7149 TG(48:3)_lp_b 7.994 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 820.7375966 819.7303 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 822.7532066 821.7459 TG(48:1)_lp_c 8.747 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 824.7691666 823.7619 TG(48:0) 9.212 TG(46:3)>TG(10:0_18:1_18:2)_and_TG(12:0_16:1_18:2)_M+NH3_feature1 C49 H91 N O6 790.6908766 789.6836 TG(46:3) 7.651 TG(46:2)_M+NH3_feature2 C49 H93 N O6 792.7065966 791.6993 TG(46:2)_lp_b 7.997 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 794.7220566 793.7148 TG(46:1)_lp_b 8.334 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 796.7370966 795.7298 TG(46:0) 8.773 TG(44:3)>TG(10:1_16:0_18:2)_and_TG(10:0_16:0_18:3)_M+NH3_feature1 C47 H87 N O6 762.6590966 761.6518 TG(44:3)_lp_a 7.478 TG(44:3)>TG(10:1_16:0_18:2)_and_TG(10:0_16:0_18:3)_M+NH3_feature2 C47 H87 N O6 762.6592566 761.652 TG(44:3)_lp_b 7.427 TG(44:2)>TG(10:0_16:1_18:1)_M+NH3_feature2 C47 H89 N O6 764.6752566 763.668 TG(10:0_16:1_18:1)_lp_b 7.658 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 C43 H79 N O6 706.5971466 705.5899 TG(4:0_18:1_18:2)_lp_b 6.884 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 680.5815866 679.5743 TG(38:2)_lp_c 6.884 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature2 C41 H79 N O6 682.5970366 681.5898 TG(4:0_16:0_18:1)_lp_b 7.137 TG(36:2)>TG(2:0_16:0_18:2)_M+NH3_feature3 C39 H73 N O6 652.5504866 651.5432 TG(2:0_16:0_18:2)_lp_c 6.604 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature4 C39 H75 N O6 654.5656866 653.5584 TG(36:1)_lp_d 6.875 sn-glycero-3-phosphocholine_feature1 C8 H20 N O6 P 258.1093466 257.1021 sn-Glycero-3-phosphocholine 0.767 SM(d44:3)_feature1 C49 H95 N2 O6 P 839.6982966 838.691 SM(d44:3) 6.702 SM(d44:2)_feature1 C49 H97 N2 O6 P 841.7140566 840.7068 SM(d44:2)_lp_a 6.953 SM(d44:1)_feature1 C49 H99 N2 O6 P 843.7301666 842.7229 SM(d44:1) 7.311 SM(d43:2)_feature2 C48 H95 N2 O6 P 827.6985666 826.6913 SM(d43:2)_lp_b 6.826 SM(d43:1)_feature1and2 C48 H97 N2 O6 P 829.7143066 828.707 SM(d43:1)_lp_ab 7.058 SM(d43:1)_feature2 C48 H97 N2 O6 P 829.7138766 828.7066 SM(d43:1)_lp_b 7.144 SM(d42:3)_feature1 C47 H91 N2 O6 P 811.6670566 810.6598 SM(d42:3)_lp_a 6.096 SM(d42:2)_feature1 C47 H93 N2 O6 P 813.6836366 812.6764 SM(d42:2)_lp_a 6.644 SM(d42:2)_feature2 C47 H93 N2 O6 P 813.6836866 812.6764 SM(d42:2)_lp_b 6.749 SM(d42:1)_feature2 C47 H95 N2 O6 P 815.6995166 814.6922 SM(d42:1)_lp_b 6.971 SM(d42:0)_M+H2CO2_feature2 C47 H97 N2 O6 P 817.7097466 816.7025 SM(d42:0)_lp_b 7.689 SM(d41:2)_feature1 C46 H91 N2 O6 P 799.6683966 798.6611 SM(d41:2)_lp_a 6.4 SM(d41:2)_feature3 C46 H91 N2 O6 P 799.6681566 798.6609 SM(d41:2)_lp_c 6.631 SM(d41:2)_feature2and3 C46 H91 N2 O6 P 799.6681566 798.6609 SM(d41:2)_lp_bc 6.569 SM(d41:1)_feature1 C46 H93 N2 O6 P 801.6840566 800.6768 SM(d41:1) 6.834 SM(d40:2)_feature2 C45 H89 N2 O6 P 785.6527566 784.6455 SM(d40:2)_lp_b 6.219 SM(d40:2)_feature1 C45 H89 N2 O6 P 785.6527366 784.6455 SM(d40:2)_lp_a 5.953 SM(d40:1)_M+H2CO2_feature2 C45 H91 N2 O6 P 787.6681766 786.6609 SM(d40:1)_lp_b 6.68 SM(d39:2)_feature2 C44 H87 N2 O6 P 771.6371966 770.6299 SM(d39:2)_lp_b 5.719 SM(d39:1)_M+H2CO2_feature1 C44 H89 N2 O6 P 773.6526566 772.6454 SM(d39:1)_lp_a 6.29 SM(d39:1)_feature2 C44 H89 N2 O6 P 773.6526566 772.6454 SM(d39:1)_lp_b 6.452 SM(d38:4)_feature2 C43 H81 N2 O6 P 753.5863866 752.5791 SM(d38:4)_lp_b 4.892 SM(d38:2)_feature1 C43 H85 N2 O6 P 757.6204166 756.6131 SM(d38:2)_lp_a 5.059 SM(d38:2)_feature2 C43 H85 N2 O6 P 757.6203266 756.6131 SM(d38:2)_lp_b 5.259 SM(d38:1)_feature2 C43 H87 N2 O6 P 759.6370766 758.6298 SM(d38:1)_lp_b 6.021 SM(d37:1)_feature1 C42 H85 N2 O6 P 745.6208566 744.6136 SM(d37:1) 5.531 SM(d36:2)_feature1 C41 H81 N2 O6 P 729.5886366 728.5814 SM(d36:2) 4.346 SM(d36:1)_feature1 C41 H83 N2 O6 P 731.6056866 730.5984 SM(d36:1) 5.053 SM(d36:0)_feature1 C41 H85 N2 O6 P 733.6207866 732.6135 SM(d36:0) 5.427 SM(d35:1)_feature1 C40 H81 N2 O6 P 717.5892566 716.582 SM(d35:1) 4.61 SM(d34:1-OH)_feature1 C39 H79 N2 O7 P 719.5685666 718.5613 SM(d34:1-OH)_lp_a 3.944 SM(d34:2)_feature1 C39 H77 N2 O6 P 701.5581166 700.5508 SM(d34:2) 3.644 SM(d34:1)_feature1 C39 H79 N2 O6 P 703.5737366 702.5665 SM(d34:1) 4.203 SM(d34:0)_feature1 C39 H81 N2 O6 P 705.5888966 704.5816 SM(d34:0) 4.516 SM(d33:1)_feature1 C38 H77 N2 O6 P 689.5574566 688.5502 SM(d33:1) 3.852 SM(d32:1)_feature1 C37 H75 N2 O6 P 675.5427466 674.5355 SM(d32:1) 3.541 PS(44:10)_feature1 C50 H78 N O10 P 1768.074417 1767.0671 PS(44:10) 3.687 PS(40:6)>PS(18:0_22:6)_feature3 C46 H78 N O10 P 836.6139766 835.6067 PS(18:0_22:6)_lp_c 4.831 PS(40:6)>PS(18:0_22:6)_feature1 C46 H78 N O10 P 836.5414166 835.5341 PS(18:0_22:6)_lp_a 4.525 PS(40:5)_feature3 C46 H80 N O10 P 838.5571466 837.5499 PS(40:5)_lp_c 4.786 PS(40:4)_feature1 C46 H82 N O10 P 840.5726366 839.5654 PS(40:4) 5.332 PS(38:4)>PS(18:0_20:4)_feature2 C44 H78 N O10 P 812.5411666 811.5339 PS(18:0_20:4)_lp_b 4.738 PS(38:3)_feature2 C44 H80 N O10 P 814.5576366 813.5504 PS(38:3)_lp_b 5.088 PS(36:2)>PS(18:1_18:1)_feature3 C42 H78 N O10 P 788.5423766 787.5351 PS(36:2)_lp_c 4.841 PI(40:6)>PI(18:0_22:6)_feature2 C49 H83 O13 P 911.5618866 910.5546 PI(18:0_22:6)_lp_b 4.434 PI(40:5)>PI(18:0_22:5)_feature1 C49 H85 O13 P 913.5779866 912.5707 PI(18:0_22:5)_lp_a 4.661 PI(38:4)>PI(18:0_20:4)_feature2 C47 H83 O13 P 887.5624466 886.5552 PI(18:0_20:4)_lp_b 4.628 PI(36:4)>PI(16:0_20:4)_feature1 C45 H79 O13 P 859.5306866 858.5234 PI(16:0_20:4) 3.876 PI(36:3)_feature1 C45 H81 O13 P 861.5474266 860.5402 PI(36:3)_lp_a 4.025 PG(38:4)>PG(18:0_20:4)_feature3 C44 H79 O10 P 816.5731166 815.5658 PG(38:4)>PG(18:0_20:4) 4.825 PG(36:4)_feature3 C42 H78 O10 N P 788.5419366 787.5347 PG(36:4) 3.68 PE(O-42:6)>PE(O-18:1/24:5)_feature2 C47 H84 N O7 P 806.6050566 805.5978 PE(O-42:6)_lp_b 6.638 PE(O-40:8)>PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 774.5420266 773.5348 PE(O-40:8)_lp_b 4.789 PE(O-40:7)>PE(O-18:2/22:5)_feature4 C45 H78 N O7 P 776.5583066 775.551 PE(O-40:7)_lp_d 5.059 PE(O-40:7)>PE(O-18:2/22:5)_feature1 C45 H78 N O7 P 776.5569766 775.5497 PE(O-40:7)_lp_a 4.639 PE(O-40:7)>PE(O-18:1/22:6)_feature7 C45 H78 N O7 P 776.5585166 775.5512 PE(O-18:1/22:6)_lp_g 5.66 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 5.532 PE(O-40:6)>PE(O-18:2/22:4)_feature2 C45 H80 N O7 P 778.5727566 777.5655 PE(O-40:6)_lp_b 5.653 PE(O-40:6)>PE(O-18:1/22:5)_feature5 C45 H80 N O7 P 778.5731666 777.5659 PE(O-18:1/22:5)_lp_e 6.246 PE(O-40:6)>PE(O-18:1/22:5)_feature4 C45 H80 N O7 P 778.5734066 777.5661 PE(O-18:1/22:5)_lp_d 5.949 PE(O-40:5)>PE(O-18:1/22:4)_feature5 C45 H82 N O7 P 780.5895166 779.5822 PE(O-18:1/22:4)_lp_e 6.632 PE(O-40:5)>PE(O-18:1/22:4)_feature4 C45 H82 N O7 P 780.5895066 779.5822 PE(O-18:1/22:4)_lp_d 6.465 PE(O-40:4)_feature2 C45 H84 N O7 P 782.6052466 781.598 PE(O-40:4)_lp_b 6.561 PE(O-38:7)>PE(O-16:1/22:6)_feature2 C43 H74 N O7 P 748.5269166 747.5196 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 750.5418666 749.5346 PE(O-38:6)_lp_b 5.015 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature4 C43 H76 N O7 P 750.5418866 749.5346 PE(O-38:6)_lp_d 5.315 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 752.5586466 751.5514 PE(O-18:1/20:4)_lp_f 5.919 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 752.5587066 751.5514 PE(O-16:1/22:4)_lp_e 5.61 PE(O-38:5)_feature3 C43 H78 N O7 P 752.5586866 751.5514 PE(O-38:5)_lp_c 5.164 PE(O-38:5)_feature1 C43 H78 N O7 P 752.5578766 751.5506 PE(O-38:5)_lp_a 4.864 PE(O-38:4)_feature4 C43 H80 N O7 P 754.5740166 753.5667 PE(O-38:4)_lp_d 6.087 PE(O-38:2)>PE(O-18:1/20:1)_feature4 C43 H84 N O7 P 758.6051166 757.5978 PE(O-38:2)_lp_d 6.881 PE(O-37:5)>PE(O-17:1/20:4)_feature1 C42 H76 N O7 P 738.5422366 737.535 PE(O-17:1/20:4)_lp_a 5.284 PE(O-37:5)>PE(O-17:1/20:4)_feature2 C42 H76 N O7 P 738.5422466 737.535 PE(O-17:1/20:4)_lp_b 5.44 PE(O-36:3)>PE(O-18:1/18:2)_feature6 C41 H78 N O7 P 728.5580866 727.5508 PE(O-18:1/18:2)_lp_f 6.085 PE(O-36:4)_feature1 C41 H76 N O7 P 726.5418066 725.5345 PE(O-36:4)_lp_a 5.175 PE(O-36:2)>PE(O-18:1/18:1)_feature2 C41 H80 N O7 P 730.5745166 729.5672 PE(O-18:1/18:1)_lp_b 6.601 PE(O-34:2)>PE(O-16:1/18:1)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 702.5423766 701.5351 PE(O-34:2)_lp_a 5.843 PE(O-34:1)>PE(O-18:1_16:0)_feature2 C39 H78 N O7 P 704.5582666 703.551 PE(O-34:1)_lp_b 6.579 PE(O-34:1)_feature1 C39 H78 N O7 P 704.5579566 703.5507 PE(O-34:1)_lp_a 5.964 PE(44:10)_feature2 C49 H78 N O8 P 840.5512666 839.544 PE(44:10)_lp_b 4.198 PE(42:8)>PE(20:4_22:4)_feature2 C47 H78 N O8 P 816.5516966 815.5444 PE(20:4_22:4)_lp_b 4.395 PE(42:8)>PE(20:4_22:4)_feature4 C47 H78 N O8 P 816.5504066 815.5431 PE(20:4_22:4)_lp_d 5.535 PE(42:10)_feature1 C47 H74 N O8 P 812.5211666 811.5139 PE(42:10)_lp_a 3.707 PE(42:10)_feature2 C47 H74 N O8 P 812.5186566 811.5114 PE(42:10) 4.055 PE(40:8)_feature1 C45 H74 N O8 P 788.5213066 787.514 PE(40:8) 3.848 PE(40:7)_feature3 C45 H76 N O8 P 790.5357866 789.5285 PE(40:7)_lp_c 4.404 PE(40:6)_feature3 C45 H78 N O8 P 792.5515066 791.5442 PE(40:6)_lp_c 5.847 PE(40:6)_feature1 C45 H78 N O8 P 792.5533966 791.5461 PE(40:6)_lp_a 5.245 PE(40:6)_feature2 C45 H78 N O8 P 792.5514266 791.5442 PE(40:6)_lp_b 5.36 PE(40:5)_feature4 C45 H80 N O8 P 772.5859566 771.5787 PE(40:5)_lp_d 5.505 PE(40:5)_feature1 C45 H80 N O8 P 794.5686766 793.5614 PE(40:5)_lp_a 4.513 PE(40:5)_feature5 C45 H80 N O8 P 794.5684866 793.5612 PE(40:5)_lp_e 5.809 PE(40:5)_feature3 C45 H80 N O8 P 794.5679666 793.5607 PE(40:5)_lp_c 5.498 PE(40:5)_feature2 C45 H80 N O8 P 794.5677466 793.5605 PE(40:5)_lp_b 4.64 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 796.5834566 795.5762 PE(18:0_22:4)_lp_b 6.082 PE(40:4)>PE(18:0_22:4)_feature4 C45 H82 N O8 P 796.5834466 795.5762 PE(18:0_22:4)_lp_d 6.378 PE(40:4)>PE(18:0_22:4)_feature1 C45 H82 N O8 P 796.5837966 795.5765 PE(18:0_22:4)_lp_a 5.232 PE(38:6)_feature2 C43 H74 N O8 P 764.5213466 763.5141 PE(38:6)_lp_b 4.021 PE(38:6)_feature3 C43 H74 N O8 P 764.5214266 763.5142 PE(38:6)_lp_c 4.359 PE(38:6)_feature1 C43 H74 N O8 P 764.5212066 763.5139 PE(38:6)_lp_a 3.702 PE(38:5)>PE(18:1_20:4)_feature3 C43 H76 N O8 P 766.5367166 765.5294 PE(18:1_20:4)_lp_c 4.604 PE(38:5)_feature1 C43 H76 N O8 P 766.5351966 765.5279 PE(38:5)_lp_a 4.082 PE(38:5)_feature5 C43 H76 N O8 P 766.5375266 765.5303 PE(38:5)_lp_e 4.889 PE(38:5)_feature3 C43 H76 N O8 P 766.5428966 765.5356 PE(38:5)_lp_b 4.661 PE(38:5)>PE(16:0_22:5)_and_PE(38:5)>PE(18:1_20:4)_feature3 C43 H76 N O8 P 766.5347666 765.5275 PE(38:5)_lp_c 5.602 PE(38:4)>PE(18:0_20:4)_feature4 C43 H78 N O8 P 768.5535266 767.5463 PE(18:0_20:4)_lp_d 5.152 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 768.5535066 767.5462 PE(18:0_20:4)_lp_e 5.466 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 770.5685966 769.5613 PE(18:0_20:3)_lp_c 5.833 PE(38:3)>PE(18:0_20:3)_feature4 C43 H80 N O8 P 770.5685366 769.5613 PE(18:0_20:3)_lp_d 6.116 PE(36:5)_feature2 C41 H72 N O8 P 738.5049666 737.4977 PE(36:5)_lp_b 3.879 PE(36:4)>PE(16:0_20:4)_feature1 C41 H74 N O8 P 740.5213966 739.5141 PE(16:0_20:4)_lp_a 4.137 PE(36:4)>PE(16:0_20:4)_feature5 C41 H74 N O8 P 740.5188266 739.5116 PE(16:0_20:4)_lp_e 5.371 PE(36:4)_feature3 C41 H74 N O8 P 740.5214966 739.5142 PE(36:4)_lp_c 4.557 PE(36:3)_feature1 C41 H76 N O8 P 742.5375266 741.5303 PE(36:3)_lp_a 4.747 PE(36:2)>PE(18:2_18:0)_feature3 C41 H78 N O8 P 744.5535266 743.5463 PE(36:2)_lp_c 5.612 PE(36:1)_feature3 C41 H80 N O8 P 746.5695866 745.5623 PE(36:1)_lp_c 6.278 PE(34:2)_feature2 C39 H74 N O8 P 716.5212766 715.514 PE(34:2)_lp_b 4.698 PE(34:1)_feature1 C39 H76 N O8 P 718.5368666 717.5296 PE(34:1)_lp_a 5.339 PC(O-40:7)_feature2 C48 H84 N O7 P 818.6035866 817.5963 PC(O-40:7)_lp_b 4.791 PC(O-40:7)_feature3 C48 H84 N O7 P 818.6035166 817.5962 PC(O-40:7)_lp_c 5.367 PC(O-40:6)_feature6 C48 H86 N O7 P 820.6200066 819.6127 PC(O-40:6)_lp_f 5.955 PC(O-40:6)_feature5 C48 H86 N O7 P 820.6199966 819.6127 PC(O-40:6)_lp_e 5.656 PC(O-40:6)_feature1 C48 H86 N O7 P 820.6204966 819.6132 PC(O-40:6)_lp_a 4.914 PC(O-38:7)_feature6 C46 H80 N O7 P 790.5727066 789.5654 PC(O-38:7)_lp_f 5.936 PC(O-38:7)_feature2 C46 H80 N O7 P 790.5721766 789.5649 PC(O-38:7)_lp_b 4.478 PC(O-38:7)_feature7 C46 H80 N O7 P 790.5742866 789.567 PC(O-38:7)_lp_g 6.129 PC(O-38:7)_feature1 C46 H80 N O7 P 790.5722666 789.565 PC(O-38:7)_lp_a 4.141 PC(O-38:6)_feature5 C46 H82 N O7 P 792.5885466 791.5813 PC(O-18:2/20:4)_lp_e 5.018 PC(O-38:6)_feature3 C46 H82 N O7 P 792.5885966 791.5813 PC(O-38:6)_lp_c 4.746 PC(O-38:6)_feature1 C46 H82 N O7 P 792.5890666 791.5818 PC(O-38:6)_lp_a 4.238 PC(O-38:5)_feature2 C46 H84 N O7 P 794.6047066 793.5974 PC(O-38:5)_lp_b 5.311 PC(O-38:5)_feature3 C46 H84 N O7 P 794.6046966 793.5974 PC(O-38:5)_lp_c 5.623 PC(O-38:5)_feature1 C46 H84 N O7 P 794.6047066 793.5974 PC(O-38:5)_lp_a 4.883 PC(O-38:4)_feature6 C46 H86 N O7 P 796.6198066 795.6125 PC(O-38:4)_lp_f 5.801 PC(O-38:4)_feature7 C46 H86 N O7 P 796.6198766 795.6126 PC(O-38:4)_lp_g 6.017 PC(O-38:4)_feature4 C46 H86 N O7 P 796.6192566 795.612 PC(O-38:4)_lp_d 5.484 PC(O-37:5)_feature2 C45 H82 N O7 P 780.5884166 779.5811 PC(O-37:5) 5.131 PC(O-36:5)_feature5 C44 H80 N O7 P 766.5723466 765.5651 PC(O-36:5)_lp_e 4.702 PC(O-36:4)_feature4 C44 H82 N O7 P 768.5888366 767.5816 PC(O-36:4)_lp_d 4.851 PC(O-36:3)_feature3 C44 H84 N O7 P 770.6046366 769.5974 PC(O-36:3)_lp_c 5.291 PC(O-36:3)_feature1 C44 H84 N O7 P 770.6062166 769.5989 PC(O-36:3)_lp_a 5.017 PC(O-36:3)_feature2 C44 H84 N O7 P 770.6027366 769.5955 PC(O-36:3)_lp_b 5.029 PC(O-36:2)_feature1 C44 H86 N O7 P 772.6207866 771.6135 PC(O-36:2)_lp_a 5.732 PC(O-36:1)_feature3 C44 H88 N O7 P 774.6369366 773.6297 PC(O-36:1)_lp_c 6.521 PC(O-34:2)_feature2 C42 H82 N O7 P 744.5892066 743.5819 PC(O-34:2)_lp_b 5.542 PC(O-34:2)_feature1 C42 H82 N O7 P 744.5882766 743.581 PC(O-34:2)_lp_a 4.991 PC(O-34:1)_feature4 C42 H84 N O7 P 746.6056266 745.5984 PC(O-34:1)_lp_d 6.406 PC(O-34:1)_feature2 C42 H84 N O7 P 746.6049366 745.5977 PC(O-18:1/16:0)_lp_b 5.66 PC(O-34:0)_feature1 C42 H86 N O7 P 748.6208366 747.6136 PC(O-34:0) 6.498 PC(O-33:0)_feature1 C41 H84 N O7 P 734.6127366 733.6055 PC(O-33:0)_lp_a 5.085 PC(O-32:1)_feature1 C40 H80 N O7 P 718.5734066 717.5661 PC(O-32:1)_lp_a 4.786 PC(O-32:1)_feature2 C40 H80 N O7 P 718.5734266 717.5662 PC(O-32:1)_lp_b 5.498 PC(O-32:0)_feature1 C40 H82 N O7 P 720.5893966 719.5821 PC(O-32:0) 5.638 PC(O-30:0)_feature1 C38 H78 N O7 P 692.5572266 691.55 PC(O-30:0) 4.732 PC(44:5)_feature2 C52 H94 N O8 P 892.6772266 891.67 PC(44:5)_lp_b 6.676 PC(44:4)_feature2 C52 H96 N O8 P 894.6930766 893.6858 PC(44:4)_lp_b 6.983 PC(44:12)_feature1 C52 H80 N O8 P 878.5683466 877.5611 PC(44:12) 3.42 PC(44:10)_feature1 C52 H84 N O8 P 882.5991866 881.5919 PC(44:10) 4.012 PC(42:9)_feature1 C50 H82 N O8 P 856.5833566 855.5761 PC(42:9)_lp_a 3.751 PC(42:9)_feature2 C50 H82 N O8 P 856.5827866 855.5755 PC(42:9)_lp_b 3.83 PC(42:9)_feature3 C50 H82 N O8 P 856.5834366 855.5762 PC(42:9)_lp_c 3.955 PC(42:8)_feature2 C50 H84 N O8 P 858.5981966 857.5909 PC(42:8)_lp_b 4.191 PC(42:7)_feature1 C50 H86 N O8 P 860.6137266 859.6065 PC(42:7)_lp_a 4.539 PC(42:7)_feature4 C50 H86 N O8 P 860.6136866 859.6064 PC(42:7)_lp_d 4.939 PC(42:6)_feature3 C50 H88 N O8 P 862.6302066 861.6229 PC(42:6)_lp_c 5.51 PC(42:6)_feature4 C50 H88 N O8 P 862.6302466 861.623 PC(42:6)_lp_d 5.915 PC(42:5)_feature6 C50 H90 N O8 P 864.6461666 863.6389 PC(42:5)_lp_f 6.085 PC(42:5)_feature3 C50 H90 N O8 P 864.6461366 863.6389 PC(42:5)_lp_c 5.805 PC(42:4)_feature3 C50 H92 N O8 P 866.6618866 865.6546 PC(42:4)_lp_c 6.457 PC(42:4)_feature5 C50 H92 N O8 P 866.6618566 865.6546 PC(42:4)_lp_e 6.711 PC(42:3)_feature1 C50 H94 N O8 P 868.6779866 867.6707 PC(42:3)_lp_a 6.728 PC(42:2)_feature2 C50 H96 N O8 P 870.6933166 869.686 PC(42:2)_lp_b 7.037 PC(41:7)_feature1 C49 H84 N O8 P 846.5984666 845.5912 PC(41:7)_lp_a 4.554 PC(41:6)_feature3 C49 H86 N O8 P 848.6145266 847.6073 PC(41:6)_lp_c 5.437 PC(41:6)_feature2 C49 H86 N O8 P 848.6140366 847.6068 PC(41:6)_lp_b 5.256 PC(41:6)_feature1 C49 H86 N O8 P 848.6146066 847.6073 PC(41:6)_lp_a 4.793 PC(41:3)_feature1 C50 H80 N O8 P 854.5685166 853.5612 PC(41:3) 3.555 PC(40:8)_feature1 C48 H80 N O8 P 830.5685466 829.5613 PC(40:8) 3.686 PC(40:7)_feature1 C48 H82 N O8 P 832.5827366 831.5755 PC(40:7)_lp_a 3.877 PC(40:7)_feature3 C48 H82 N O8 P 832.5827266 831.5755 PC(40:7)_lp_c 4.194 PC(40:6)_feature3 C48 H84 N O8 P 834.6001366 833.5929 PC(40:6)_lp_c 4.966 PC(40:5)_feature4 C48 H86 N O8 P 836.6141066 835.6068 PC(40:5)_lp_d 5.544 PC(40:5)_feature1 C48 H86 N O8 P 836.6141066 835.6068 PC(40:5)_lp_a 4.891 PC(40:5)_feature3 C48 H86 N O8 P 836.6141166 835.6068 PC(40:5)_lp_c 5.252 PC(40:4)_feature2 C48 H88 N O8 P 838.6316066 837.6243 PC(40:4)_lp_b 5.827 PC(40:4)_feature3 C48 H88 N O8 P 838.6315466 837.6243 PC(40:4)_lp_c 6.144 PC(40:2)_feature2 C48 H92 N O8 P 842.6614766 841.6542 PC(40:2)_lp_b 6.656 PC(40:1)_feature1 C48 H94 N O8 P 844.6772766 843.67 PC(40:1) 6.958 PC(40:0)_feature1 C48 H96 N O8 P 846.6932366 845.686 PC(40:0) 7.231 PC(39:6)_feature6 C47 H82 N O8 P 820.5804466 819.5732 PC(39:6)_lp_f 5.36 PC(39:6)_feature3 C47 H82 N O8 P 820.5828866 819.5756 PC(39:6)_lp_c 4.542 PC(39:5)_feature10 C47 H84 N O8 P 822.5995266 821.5923 PC(39:5)_lp_j 6.319 PC(39:5)_feature5 C47 H84 N O8 P 822.5985666 821.5913 PC(39:5)_lp_e 5.082 PC(39:5)_feature3 C47 H84 N O8 P 822.5985466 821.5913 PC(39:5)_lp_c 4.781 PC(39:4)_feature4 C47 H86 N O8 P 824.6151566 823.6079 PC(39:4)_lp_d 5.479 PC(39:4)_feature5 C47 H86 N O8 P 824.6151666 823.6079 PC(39:4)_lp_e 5.674 PC(39:1)_feature4 C47 H92 N O8 P 830.6631566 829.6559 PC(39:1)_lp_d 6.747 PC(38:7)_feature3 C46 H78 N O8 P 804.5490466 803.5418 PC(38:7)_lp_c 4.785 PC(38:7)_feature1 C46 H78 N O8 P 804.5504666 803.5432 PC(38:7)_lp_a 3.455 PC(38:7)_feature2 C46 H78 N O8 P 804.5527966 803.5455 PC(38:7)_lp_b 3.599 PC(38:6)_feature2 C46 H80 N O8 P 806.5684666 805.5612 PC(38:6)_lp_b 4.144 PC(38:6)_feature1 C46 H80 N O8 P 806.5684066 805.5611 PC(38:6)_lp_a 3.841 PC(38:5)_feature1 C46 H82 N O8 P 808.5840566 807.5768 PC(38:5)_lp_a 3.726 PC(38:5)_feature5 C46 H82 N O8 P 808.5831066 807.5758 PC(38:5)_lp_e 4.643 PC(38:5)_feature2 C46 H82 N O8 P 808.5833566 807.5761 PC(38:5)_lp_b 4.102 PC(38:5)_feature3 C46 H82 N O8 P 808.5830866 807.5758 PC(38:5)_lp_c 4.385 PC(38:4)_feature4 C46 H84 N O8 P 810.6002266 809.593 PC(38:4)_lp_d 5.192 PC(38:4)_feature3 C46 H84 N O8 P 810.6002666 809.593 PC(38:4)_lp_c 4.899 PC(38:3)_feature3 C46 H86 N O8 P 812.6154366 811.6082 PC(38:3)_lp_c 5.575 PC(38:2)_feature5 C46 H88 N O8 P 814.6314866 813.6242 PC(38:2)_lp_e 6.144 PC(38:1)_feature1 C46 H90 N O8 P 816.6465466 815.6393 PC(38:1) 6.641 PC(38:0)_feature1 C46 H92 N O8 P 818.6617866 817.6545 PC(38:0) 6.958 PC(37:6)_feature1 C45 H78 N O8 P 792.5526766 791.5454 PC(37:6)_lp_a 3.813 PC(37:6)_feature6 C45 H78 N O8 P 792.5521566 791.5449 PC(37:6)_lp_e 4.646 PC(37:4)_feature2 C45 H82 N O8 P 796.5830566 795.5758 PC(37:4)_lp_b 4.598 PC(37:4)_feature3 C45 H82 N O8 P 796.5831266 795.5759 PC(37:4)_lp_c 4.753 PC(37:4)_feature4 C45 H84 N O8 P 798.5983266 797.5911 PC(37:4)_lp_d 5.445 PC(37:3)_feature1 C45 H84 N O8 P 798.5997566 797.5925 PC(37:3)_lp_a 4.887 PC(37:3)_feature2 C45 H84 N O8 P 798.5997366 797.5925 PC(37:3)_lp_b 5.103 PC(37:2)_feature2 C45 H86 N O8 P 800.6149966 799.6077 PC(37:2)_lp_b 5.821 PC(37:2)_feature1 C45 H86 N O8 P 800.6150266 799.6078 PC(37:2)_lp_a 5.627 PC(37:1)_feature2 C45 H88 N O8 P 802.6312566 801.624 PC(37:1)_lp_b 6.272 PC(37:1)_feature3 C45 H88 N O8 P 802.6312066 801.6239 PC(37:1)_lp_c 6.428 PC(37:0)_feature5 C45 H90 N O8 P 804.5890966 803.5818 PC(37:0)_lp_e 6.51 PC(37:0)_feature2 C45 H90 N O8 P 804.5879466 803.5807 PC(37:0)_lp_b 4.904 PC(36:6)_feature3 C44 H76 N O8 P 778.5371066 777.5298 PC(36:6)_lp_c 3.503 PC(36:5)_feature3 C44 H78 N O8 P 780.5525066 779.5452 PC(36:5)_lp_c 3.883 PC(36:5)_feature4 C44 H78 N O8 P 780.5524766 779.5452 PC(36:5)_lp_d 4.161 PC(36:5)_feature1 C44 H78 N O8 P 780.5525466 779.5453 PC(36:5)_lp_a 3.543 PC(36:5)_feature6 C44 H78 N O8 P 780.5514066 779.5441 PC(36:5)_lp_f 5.027 PC(36:5)_feature2 C44 H78 N O8 P 780.5525066 779.5452 PC(36:5)_lp_b 3.714 PC(36:4)_feature3 C44 H80 N O8 P 782.5683666 781.5611 PC(36:4)_lp_c 4.334 PC(36:4)_feature1 C44 H80 N O8 P 782.5676666 781.5604 PC(36:4)_lp_a 3.7 PC(36:4)_feature2 C44 H80 N O8 P 782.5683066 781.561 PC(36:4)_lp_b 3.946 PC(36:3)_feature1 C44 H82 N O8 P 784.5840966 783.5768 PC(36:3)_lp_a 3.875 PC(36:3)_feature2 C44 H82 N O8 P 784.5835266 783.5763 PC(36:3)_lp_b 4.507 PC(36:2)_feature3 C44 H84 N O8 P 786.6005666 785.5933 PC(36:2)_lp_c 5.343 PC(36:2)_feature2 C44 H84 N O8 P 786.6005466 785.5933 PC(36:2)_lp_b 5.124 PC(36:1)_feature1 C44 H86 N O8 P 788.6158566 787.6086 PC(36:1)_lp_a 6.008 PC(36:0)_feature3 C44 H88 N O8 P 790.6310166 789.6237 PC(36:0)_lp_c 6.647 PC(35:4)_feature4 C43 H78 N O8 P 768.5540166 767.5467 PC(35:4)_lp_d 4.826 PC(35:4)_feature2 C43 H78 N O8 P 768.5531166 767.5458 PC(35:4)_lp_b 3.968 PC(35:3)_feature1 C43 H80 N O8 P 770.5685366 769.5613 PC(35:3)_lp_a 4.154 PC(35:2)_feature2 C43 H82 N O8 P 772.5839866 771.5767 PC(35:2)_lp_b 4.884 PC(35:1)_feature1 C43 H84 N O8 P 774.5991966 773.5919 PC(35:1)_lp_a 5.533 PC(35:0)_feature3 C43 H86 N O8 P 776.6161366 775.6089 PC(35:0)_lp_c 6.403 PC(35:0)_feature2 C43 H86 N O8 P 776.6161866 775.6089 PC(35:0)_lp_b 6.241 PC(34:4)_feature2 C42 H76 N O8 P 754.5368166 753.5295 PC(34:4)_lp_b 3.661 PC(34:3)_feature3 C42 H78 N O8 P 756.5520666 755.5448 PC(34:3)_lp_c 4.088 PC(34:3)_feature1 C42 H78 N O8 P 756.5520066 755.5447 PC(34:3)_lp_a 3.838 PC(34:2)_feature1 C42 H80 N O8 P 758.5686166 757.5613 PC(34:2)_lp_a 4.455 PC(34:1)_feature2 C42 H82 N O8 P 760.5842266 759.577 PC(34:1)_lp_b 5.075 PC(34:0)_feature4 C42 H84 N O8 P 762.6000966 761.5928 PC(34:0)_lp_c 5.963 PC(33:1)_feature1 C41 H80 N O8 P 746.5689266 745.5617 PC(33:1)_lp_a 4.654 PC(33:0)_feature3 C41 H82 N O8 P 748.5842666 747.577 PC(33:0)_lp_c 5.503 PC(33:0)_feature2 C41 H82 N O8 P 748.5843166 747.577 PC(33:0)_lp_b 5.305 PC(32:2)_feature1 C40 H76 N O8 P 730.5370066 729.5297 PC(32:2)_lp_a 3.74 PC(32:1)_feature2 C40 H78 N O8 P 732.5519366 731.5447 PC(32:1)_lp_b 4.392 PC(32:1)_feature1 C40 H78 N O8 P 732.5522966 731.545 PC(32:1)_lp_a 4.284 PC(32:0)_feature2 C40 H80 N O8 P 734.5686466 733.5614 PC(32:0)_lp_b 5.024 PC(32:0)_feature1 C40 H80 N O8 P 734.5676666 733.5604 PC(32:0)_lp_a 4.228 PC(31:0)_feature2 C39 H78 N O8 P 720.5525166 719.5452 PC(31:0)_lp_b 4.599 PC(30:0)_feature1 C38 H76 N O8 P 706.5362566 705.529 PC(30:0)_lp_a 4.208 PA(34:1)_M+NH3_feature1 C37 H71 O8 P 692.5209666 691.5137 PA(34:1)_lp_a 5.084 PA(34:1)_M+NH3_feature2 C37 H71 O8 P 692.5211666 691.5139 PA(34:1)_lp_b 5.301 LPE(18:0)>LPE(18:0/0:0)_feature2 C23 H48 N O7 P 482.3233166 481.316 LPE(18:0)_lp_b 2.389 LPE(16:0)>LPE(16:0/0:0)_feature2 C21 H44 N O7 P 454.2919166 453.2846 LPE(16:0)_lp_b 2.071 LPC(24:0)>LPC(24:0/0:0)_feature2 C32 H66 N O7 P 608.4640366 607.4568 LPC(24:0)_lp_b 3.742 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 1.648 LPC(22:5)>LPC(22:5/0:0)_and_LPC(0:0/22:5)_feature1and2 C30 H52 N O7 P 570.3541166 569.3468 LPC(22:5)_lp_ab 1.77 LPC(22:0)>LPC(22:0/0:0)_feature2 C30 H62 N O7 P 580.4328666 579.4256 LPC(22:0)_lp_b 3.134 LPC(20:4)_M+H2CO2_feature1and2 C28 H50 N O7 P 544.3386466 543.3314 LPC(20:4)_lp_ab 1.703 LPC(20:1)>LPC(20:1/0:0)_feature2 C28 H56 N O7 P 550.3856166 549.3783 LPC(20:1)_lp_b 2.364 LPC(20:0)>LPC(20:0/0:0)_feature2 C28 H58 N O7 P 552.4014666 551.3942 LPC(20:0)_lp_b 2.683 LPC(19:0)>LPC(0:0/19:0)_feature1 C27 H56 N O7 P 538.3860366 537.3788 LPC(19:0)_lp_a 2.441 LPC(19:0)>LPC(19:0/0:0)_feature2 C27 H56 N O7 P 538.3860766 537.3788 LPC(19:0)_lp_b 2.501 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 C26 H50 N O7 P 520.3385766 519.3313 LPC(18:2)_lp_ab 1.769 LPC(18:1)>LPC(0:0/18:1)_feature1 C26 H52 N O7 P 522.3549666 521.3477 LPC(18:1)_lp_a 2.009 LPC(18:1)>LPC(18:1/0:0)_feature2 C26 H52 N O7 P 522.3549366 521.3477 LPC(18:1)_lp_b 2.082 LPC(18:0)>LPC(18:0/0:0)_feature2 C26 H54 N O7 P 524.3704266 523.3632 LPC(18:0)_lp_b 2.347 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 C25 H52 N O7 P 510.3549266 509.3477 LPC(17:0)_lp_ab 2.203 LPC(16:1)>LPC(16:1/0:0)_and_LPC(0:0/16:1)_feature1and2 C24 H48 N O7 P 494.3230466 493.3158 LPC(16:1)_lp_ab 1.673 LPC(16:0)>LPC(16:0/0:0)_feature2 C24 H50 N O7 P 496.3390066 495.3317 LPC(16:0)_lp_b 2.025 HexCer(d40:1)>HexCer(d18:1/22:0)_feature3 C46 H89 N O8 784.6651766 783.6579 HexCer(d40:1)_lp_c 6.767 erucamide_feature1 C44 H86 N2 O2 675.6752466 674.668 eucramide 3.165 EA(22:0)_feature1 C24 H49 N O2 384.3825666 383.3753 Behenoyl-EA 3.687 EA(18:0)_feature1 C20 H41 N O2 328.3203166 327.313 Stearoyl-EA 2.627 EA(17:0)_feature1 C19 H39 N O2 314.3046666 313.2974 EA(17:0) 2.45 EA(15:0)_feature1 C17 H35 N O2 286.2734266 285.2662 EA(15:0) 2.131 DG(40:7)>DG(18:1_22:6_0:0)_M+NH3_feature3 C43 H73 N O5 684.5554066 683.5481 DG(18:1_22:6)_lp_c 5.708 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 C43 H72 O5 686.5712066 685.5639 DG(40:6)_lp_f 6.536 DG(40:4)>DG(18:0_22:4_0:0)_M+NH3_feature3 C43 H79 N O5 690.6017566 689.5945 DG(18:0_22:4)_lp_c 6.878 DG(38:6)>DG(18:2_20:4_0:0)_M+NH3_feature1 C41 H71 N O5 658.5389666 657.5317 DG(18:2_20:4)_lp_a 5.242 DG(38:5)>DG(18:1_20:4_0:0)_M+NH3_feature2 C41 H70 O5 643.5285066 642.5212 DG(18:1_20:4)_lp_b 5.99 DG(38:4)>DG(18:0_20:4_0:0)_feature6 C41 H72 O5 645.5442566 644.537 DG(18:0_20:4)_lp_f 6.663 DG(38:4)>DG(16:0_22:4_0:0)_M+NH3_feature4 C41 H75 N O5 662.5709066 661.5636 DG(38:4)_lp_d 6.517 DG(38:3)>DG(18:2_20:1_0:0)_M+NH3_feature2 C41 H77 N O5 664.5864866 663.5792 DG(18:2_20:1)_lp_b 6.737 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 C39 H68 O5 617.5128766 616.5056 DG(16:0_20:4)_lp_b 5.945 DG(36:4)>DG18:2_18:2_0:0)_feature1 C39 H68 O5 617.5128166 616.5055 DG(36:4)_lp_a 5.45 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 C39 H73 N O5 636.5557966 635.5485 DG(18:1_18:2)_lp_c 6.201 DG(36:2)>DG(18:1_18:1_0:0)_M+NH3_feature3 C39 H75 N O5 638.5711366 637.5639 DG(18:1_18:1)_lp_c 6.668 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature4 C39 H75 N O5 638.5709866 637.5637 DG(18:0_18:2)_lp_d 6.744 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature2 C39 H77 N O5 640.5863966 639.5791 DG(18:0_18:1)_lp_b 6.966 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature4 C37 H71 N O5 610.5395566 609.5323 DG(16:0_18:2)_lp_d 6.163 DG(34:1)>DG(16:0_18:1_0:0)_feature2 C37 H70 O5 595.5286366 594.5214 DG(16:0_18:1)_lp_b 6.651 DG(34:0)>DG(16:0_18:0_0:0)_M+NH3_feature2 C37 H75 N O5 614.5708566 613.5636 DG(16:0_18:0)_lp_b 6.962 DG(32:0)>DG(16:0_16:0_0:0)_feature2 C35 H68 O5 569.5133866 568.5061 DG(16:0_16:0)_lp_b 6.643 Coenzyme Q9_feature1 C54 H82 O4 795.6279366 794.6207 Coenzyme Q9 7.503 Coenzyme Q10_feature1 C59 H90 O4 863.6901966 862.6829 Coenzyme Q10 8.015 cholesterol M - H2O_feature1 C27 H44 369.3506166 368.3433 Cholesterol 4.779 Cer(d44:2)>Cer(d18:1/26:1)_feature1 C44 H85 N O3 676.6593266 675.6521 Cer(d18:1/26:1)_lp_a 7.309 Cer(d44:1)>Cer(d18:1/26:0)_feature1 C44 H87 N O3 678.6750066 677.6677 Cer(d18:1/26:0) 7.694 Cer(d43:1)>Cer(d18:1/25:0)_feature2 C43 H85 N O3 664.6591066 663.6518 Cer(d18:1/25:0)_lp_b 7.521 Cer(d43:1)>Cer(d18:1/25:0)_feature1 C43 H85 N O3 664.6591266 663.6519 Cer(d18:1/25:0)_lp_a 7.446 Cer(d42:3)_feature2 C42 H79 N O3 646.6124266 645.6052 Cer(d42:3)_lp_b 6.762 Cer(d42:2)>Cer(d18:2/24:0)_feature4 C42 H81 N O3 648.6281666 647.6209 Cer(d18:2/24:0)_lp_d 7.1 Cer(d42:2)>Cer(d18:1/24:1)_feature3 C42 H81 N O3 648.6281166 647.6208 Cer(d18:1/24:1)_lp_c 7.006 Cer(d42:1)>Cer(d18:1/24:0)_feature3 C42 H83 N O3 650.6439066 649.6366 Cer(d18:1/24:0)_lp_c 7.352 Cer(d42:0)>Cer(d18:0/24:0)_feature1 C42 H85 N O3 652.6590266 651.6518 Cer(d18:0/24:0) 7.472 Cer(d41:2)>Cer(d18:2/23:0)_feature2 C41 H79 N O3 634.6124866 633.6052 Cer(d18:2/23:0)_lp_b 6.945 Cer(d41:1)>Cer(d18:1/23:0)_feature1 C41 H81 N O3 636.6276966 635.6204 Cer(d18:1/23:0) 7.19 Cer(d40:2)>Cer(d18:2/22:0)_feature2 C40 H77 N O3 620.5970166 619.5897 Cer(d18:2/22:0)_lp_b 6.795 Cer(d40:1)>Cer(d18:1/22:0)_feature2 C40 H79 N O3 622.6123866 621.6051 Cer(d18:1/22:0)_lp_b 7.036 Cer(d39:1)>Cer(d18:1/21:0)_feature1 C39 H77 N O3 608.5970566 607.5898 Cer(d18:1/21:0) 6.888 Cer(d36:1)>Cer(d18:1/18:0)_feature1 C36 H71 N O3 566.5501566 565.5429 Cer(d18:1/18:0) 6.138 Cer(d34:1)>Cer(d18:1/16:0)_feature1 C34 H67 N O3 538.5182866 537.511 Cer(d18:1/16:0) 5.154 CE(22:6)_M+NH3_feature2 C49 H79 N O2 714.6173566 713.6101 CE(22:6)_lp_b 9.072 CE(20:4)_feature1 C47 H76 O2 673.5909666 672.5837 CE(20:4)_lp_a 9.307 CE(18:2)_M+NH3_feature1 C45 H79 N O2 666.6174666 665.6102 CE(18:2) 9.497 carnitine_feature1 C7 H15 N O3 162.1120566 161.1048 Carnitine 0.756 Car(8:0)_feature1 C15 H29 N O4 288.2160366 287.2088 CAR(8:0) 0.824 Car(6:0)_feature1 C13 H25 N O4 260.1849166 259.1776 CAR(6:0) 0.786 Car(5:0)_feature1 C12 H23 N O4 246.1692866 245.162 CAR(5:0) 0.767 Car(4:0-OH)_feature1 C11 H21 N O5 248.1484866 247.1412 CAR(4:0(OH)) 0.744 Car(4:0)_feature1 C11 H21 N O4 232.1536666 231.1464 CAR(4:0) 0.758 Car(3:0)_feature1 C10 H19 N O4 218.1381166 217.1308 CAR(3:0) 0.756 Car(26:1)_feature1 C33 H63 N O4 538.4824366 537.4752 CAR(26:1) 3.391 Car(24:1)_feature1 C31 H59 N O4 510.4510166 509.4437 CAR(24:1) 2.902 Car(24:0)_feature1 C31 H61 N O4 512.4667866 511.4595 CAR(24:0) 3.437 Car(22:4)_feature1 C29 H49 N O4 476.3724266 475.3652 CAR(22:4) 2.002 Car(20:4)_feature1 C27 H45 N O4 448.3409566 447.3337 CAR(20:4) 1.712 Car(20:2)_feature1 C27 H49 N O4 452.3725666 451.3653 CAR(20:2)_lp_a 2.081 Car(20:1)_feature1 C27 H51 N O4 454.3880066 453.3807 CAR(20:1) 2.273 Car(2:0)_feature1 C9 H17 N O4 204.1225866 203.1153 CAR(2:0) 0.755 Car(19:0)_feature1 C26 H51 N O4 442.3881166 441.3808 CAR(19:0) 2.354 Car(18:3)_feature1 C25 H43 N O4 422.3255066 421.3182 CAR(18:3)_lp_a 1.513 Car(18:2)_feature1 C25 H45 N O4 424.3410266 423.3338 CAR(18:2)_lp_a 1.733 Car(18:1-OH)_feature1 C25 H47 N O5 442.3515966 441.3443 CAR(18:1(OH)) 1.692 Car(18:1)_feature1 C25 H47 N O4 426.3569766 425.3497 CAR(18:1)_lp_a 2.009 Car(18:0-OH)_feature1 C25 H49 N O5 444.3674466 443.3602 CAR(18:0(OH)) 2.01 Car(18:0)_feature1 C25 H49 N O4 428.3727466 427.3655 CAR(18:0) 2.257 Car(16:3)_feature1 C23 H39 N O4 394.2943766 393.2871 CAR(16:3) 1.178 Car(16:2-OH)_feature1 C23 H41 N O5 412.3050766 411.2978 CAR(16:2(OH)) 1.1 Car(16:2)_feature1 C23 H41 N O4 396.3101666 395.3029 CAR(16:2)_lp_a 1.364 Car(16:1)_feature2 C23 H43 N O4 398.3254366 397.3182 CAR(16:1)_lp_b 1.836 Car(16:1)_feature1 C23 H43 N O4 398.3255666 397.3183 CAR(16:1)_lp_a 1.631 Car(16:0-OH)_feature1 C23 H45 N O5 416.3360966 415.3288 CAR(16:0(OH)) 1.568 Car(16:0)_feature1 C23 H45 N O4 400.3413466 399.3341 CAR(16:0) 1.938 Car(15:0)_feature2 C22 H43 N O4 386.3253966 385.3181 CAR(15:0)_lp_b 1.702 Car(14:2-OH)_feature1 C21 H37 N O5 384.2734166 383.2661 CAR(14:2(OH)) 0.936 Car(14:2)_feature1 C21 H37 N O4 368.2787566 367.2715 CAR(14:2) 1.065 Car(14:1-OH)_feature1 C21 H39 N O5 386.2892266 385.282 CAR(14:1(OH)) 1.033 Car(14:1)_feature1 C21 H39 N O4 370.2945666 369.2873 CAR(14:1) 1.246 Car(14:0-OH)_feature1 C21 H41 N O5 388.3048466 387.2976 CAR(14:0(OH)) 1.154 Car(14:0)_feature1 C21 H41 N O4 372.3100566 371.3028 CAR(14:0) 1.494 Car(13:0)_feature1 C20 H39 N O4 358.2944766 357.2872 CAR(13:0) 1.242 Car(12:1)_feature1 C19 H35 N O4 342.2631466 341.2559 CAR(12:1) 0.979 Car(12:0-OH)_feature1 C19 H37 N O5 360.2733966 359.2661 CAR(12:0(OH)) 0.93 Car(12:0)_feature2 C19 H37 N O4 344.2787466 343.2715 CAR(12:0)_lp_b 1.102 Car(10:0-OH)_feature1 C17 H33 N O5 332.2420766 331.2348 CAR(10:0(OH)) 0.839 Car(10:0)_feature1 C17 H33 N O4 316.2473566 315.2401 CAR(10:0) 0.916 arginine_feature1 C6 H14 N4 O2 175.1184966 174.1112 Arginine 0.83 adenosine_feature1 C10 H13 N5 O4 268.1032066 267.0959 Adenosine 0.739 METABOLITES_END #END