#METABOLOMICS WORKBENCH efahy_20230425_000079 DATATRACK_ID:3976 STUDY_ID:ST002657 ANALYSIS_ID:AN004329 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 Kidney ST:STUDY_TITLE Powder - Untargeted Lipidomics, Reversed-Phase Positive ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE Georgia Institute of Technology ST:DEPARTMENT Department of Chemistry and Biochemistry ST:LABORATORY Systems Mass Spectrometry Core (SyMSC) ST:LAST_NAME Facundo ST:FIRST_NAME Fernandez ST:ADDRESS 901 Atlantic Dr NW, Atlanta, GA 30332-0400 ST:EMAIL facundo.fernandez@chemistry.gatech.edu ST:PHONE (404) 385-4432 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - QC01 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC01.raw SUBJECT_SAMPLE_FACTORS - SampleBlank01 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank01.raw SUBJECT_SAMPLE_FACTORS - SampleBlank02 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank02.raw SUBJECT_SAMPLE_FACTORS - SampleBlank03 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank03.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Kidney 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raw_file=90239015907.raw SUBJECT_SAMPLE_FACTORS 0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6 90426015907 Group:Training | Timepoint:1 week of training or control time | Sex:Male raw_file=90426015907.raw SUBJECT_SAMPLE_FACTORS 0409BED3-F9FE-4C06-9920-74F5E5CA04A3 90587015907 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90587015907.raw SUBJECT_SAMPLE_FACTORS 04C84D7E-FC8C-422F-AE4B-CAFADB63407B 90259015907 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female raw_file=90259015907.raw SUBJECT_SAMPLE_FACTORS 2E37478F-525F-4E5E-A882-EE75FD0CFB29 90406015907 Group:Training | Timepoint:4 weeks of training | Sex:Female raw_file=90406015907.raw SUBJECT_SAMPLE_FACTORS 10E282EB-1DBA-406E-BD5D-81027083A01D 90430015907 Group:Training | Timepoint:1 week of training or control time | Sex:Male raw_file=90430015907.raw SUBJECT_SAMPLE_FACTORS 68083256-8DAA-4185-B446-0CAF600474B5 90567015907 Group:Training | Timepoint:1 week of training or control time | Sex:Female raw_file=90567015907.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_Kidney02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Kidney02.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Kidney02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Kidney02.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 Kidney #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 ST002657_AN004329_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 90217015907 90218015907 90222015907 90223015907 90225015907 90227015907 90229015907 90232015907 90237015907 90239015907 90245015907 90248015907 90251015907 90252015907 90254015907 90258015907 90259015907 90265015907 90266015907 90267015907 90280015907 90281015907 90283015907 90289015907 90292015907 90406015907 90410015907 90412015907 90416015907 90420015907 90421015907 90422015907 90423015907 90426015907 90430015907 90439015907 90441015907 90444015907 90449015907 90450015907 90559015907 90560015907 90564015907 90567015907 90571015907 90576015907 90578015907 90581015907 90585015907 90587015907 IPE_Reference_Kidney IPE_Reference_Kidney02 SED_Reference_Kidney SED_Reference_Kidney02 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)_M+NH3_feature1 2053882.28 2784458.326 3482881.154 2679975.471 1681785.41 2440481.296 2885547.096 2615390.984 1872805.957 3060289.679 3637147.692 2336604.119 3699380.84 3867918.751 2937971.373 3263887.999 2346038.013 3201051.851 3458583.882 2678732.177 2568694.01 1622763.435 3201268.015 3561874.062 3217456.451 2572086.77 3264520.347 2606069.52 2941463.824 3987749.434 1549508.391 1827413.336 2338026.587 2180678.918 2924819.276 1038767.108 2867294.786 1116472.474 3147572.313 2581104.685 1580615.165 2904335.139 2510917.348 2007524.044 1711030.012 3260331.445 1877188.476 3480120.374 2263524.428 2622614.839 2919516.488 2970412.016 3694165.094 3749174.255 2364683.491 2388015.292 2388179.884 2371585.088 2324526.238 2375605.166 2402021.367 2489630.802 2281203.805 277.1921869 262.4446334 289.8526045 214.7687607 220.8259448 224.4245977 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_feature1 1767492.57 1703526.312 1832666.149 1784137.373 1723400.438 1782593.44 1664090.523 1695419.67 1807435.946 1900024.051 1733525.29 1694190.22 1738452.941 1874905.462 1789276.505 1946767.271 1737143.904 1711867.935 1778632.466 1717307.44 1679622.93 1703755.866 1647882.249 1712322.113 1729828.366 1746209.837 1573658.11 1654275.675 1679611.183 1888199.136 1753154.306 1652411.048 1732559.53 1636421.136 1598181.32 1795389.942 1621399.002 1761480.689 1684078.609 1746306.102 1878712.019 1704435.8 1844548.449 1767109.697 1840280.576 1722042.605 1651204.96 1825718.328 1814393.066 1813877.354 1574366.439 1770854.024 1722869.489 1816210.718 1823710.583 1774020.781 1702969.07 1659370.932 1743581.645 1830803.513 1761764.362 1788897.092 1735454.422 295.3409129 290.3655083 296.282536 290.9923601 278.0259958 290.5674169 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 331233.5944 323064.4638 332832.6536 361712.8174 314771.4976 311294.3911 307174.3905 312602.9496 330570.4054 339995.855 331407.5887 306726.2899 343955.6082 321269.2326 315898.5983 344940.8522 318248.6222 324005.7602 332130.6237 322933.4554 303907.2575 321495.0445 311108.6021 300124.7066 305847.6117 318363.0217 301787.1439 330976.9395 324585.3904 353898.6299 315097.4161 290413.2925 328771.1771 286272.4297 286676.1074 304402.4112 305903.6845 323373.8304 319656.4348 313353.5174 345684.8034 321692.1955 337499.4142 320197.5319 347468.7167 344923.2843 317360.0084 341369.0318 336418.6996 304343.8522 325458.5266 305080.2364 300597.3182 347177.2344 321187.7811 313190.0556 319583.0425 324879.327 301618.7598 310396.0369 320515.161 316399.4459 321889.8129 491.2276207 457.289268 490.5223461 443.8408659 418.0300949 446.543189 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_feature1 162095.8216 159010.21 162756.6942 183747.2792 158897.9636 162009.7244 162955.0264 163563.9478 176908.676 177992.1585 172612.805 161495.0991 179863.8358 161489.5804 157138.6754 158333.6585 162960.5217 176144.0316 168683.3402 159811.6822 178194.1792 166749.772 165509.5432 172562.5287 163616.3356 163951.2202 181320.3838 152440.74 171408.3416 162786.9995 171030.1777 174242.8942 163452.2871 170794.7544 166301.5643 163318.7618 184020.7798 166791.1424 175125.7881 166350.7913 166816.0176 156614.8508 167229.7345 171794.5807 167957.5771 171402.0092 175495.2827 171307.4958 168923.0789 154502.8483 163267.7636 157909.8158 166353.2781 159974.2589 165064.4464 168978.0965 171550.2539 170240.9364 170556.5149 164432.2584 173911.843 164635.5552 168501.5527 401.70409 518.5659846 557.9485382 415.8814616 531.503808 533.2600607 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_feature1 111764.6885 107424.8923 110142.0877 110932.9384 110023.8226 107998.8431 108946.8579 102647.8356 104345.3466 113747.795 111446.8604 104467.6867 98614.66929 109380.2712 103289.7666 107172.2748 106707.8935 108729.7512 100875.6845 106084.776 96104.5094 105636.5272 106088.7409 99300.77992 100295.2235 98455.75975 106895.1585 109934.2481 108848.0243 106520.3416 107219.6033 106608.2908 104213.7799 101248.0569 105152.1987 105826.8064 110465.9776 102686.3735 102577.9268 102030.2992 105622.7123 104308.3098 107368.2201 101810.7979 105614.3546 104266.8614 104723.5996 109262.6412 103822.7576 100877.6595 114138.1491 107702.6274 113070.5454 107918.6039 102654.0128 105579.7157 104879.6319 105974.6365 105898.0581 101554.5093 103341.3462 105291.751 105082.7355 282.1581185 359.9856996 358.2037765 297.5345754 358.9534122 423.3719259 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_feature1 37944606.65 34890636.85 30755621.9 33357873.65 35348519.04 31462849.88 32316166.02 31569547.28 32639655.46 31855880.73 32808894.41 33290284.41 35173749.23 32054996.32 34098212.82 34982948.39 30692043.92 31358857.11 37735208.12 31936102.94 33514476.65 32325041.92 32715219.76 31869049.4 35097185.35 31825740.55 30041287.46 34533006.75 33535384.59 35235082.64 32584617.83 31354268.98 32621846.07 28537121.42 30044048.79 34274056.93 31784223.76 32654771.47 33180557.41 33313496.01 34784997.5 35999392.16 33159589.54 36016031.77 37648356.62 31376241.11 31078636.14 34540095.72 36223754.29 32966771.73 34714024.91 30366870.34 39961933.64 34347487.37 33920148.61 34918218.22 31660016.11 35966572.69 34659628.06 33226606.35 33914373.87 32524531.83 35274313.51 928.9893756 701.5773275 712.3503553 812.5976898 621.3839526 676.7897833 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7))_feature1 1455703.741 1463211.284 1535792.305 1497359.169 1496504.903 1544149.101 1460177.229 1487054.572 1579763.615 1448004.848 1519654.053 1401683.654 1440888.957 1479472.107 1427963.851 1394993.82 1588930.607 1525925.737 1352648.144 1483786.308 1431654.189 1424548.214 1422337.703 1407803.033 1422672.565 1450309.852 1622176.299 1470525.738 1480655.199 1441042.5 1514546.161 1488513.94 1478367.267 1515459.338 1514310.094 1395474.258 1474995.595 1444911.998 1474282.634 1517768.246 1418627.548 1379471.16 1413148.609 1397229.316 1350126.405 1410332.509 1523885.147 1452946.096 1403984.919 1366335.612 1470048.428 1450137.633 1474971.219 1446841.788 1471695.951 1489943.457 1503210.936 1452587.692 1463187.803 1459184.635 1483035.166 1428240.239 1528470.533 308.9930399 842.5356718 691.161358 308.2744482 1236.830974 1292.525524 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_feature1 164681.1634 163577.2342 179469.708 158168.664 153713.9297 177503.2468 168622.4689 169289.0881 175486.4532 153583.4984 160374.7912 170590.9048 180470.7827 163007.1251 177419.8938 159302.0225 178140.247 177220.4471 169016.3409 162795.8764 168624.6024 162376.0005 157423.3549 166103.2939 160844.1344 180878.5801 192381.7163 178743.5774 169197.8975 161897.4301 187230.7801 163960.863 171653.7251 180664.7439 168391.6301 158518.2091 170309.5155 175274.9206 176338.7811 180197.1206 174800.0348 178967.3864 174618.9245 174626.1412 171620.6153 173225.5005 192555.2122 184557.8335 175565.791 155837.2945 168777.783 153145.3282 163817.0432 168291.2865 162343.4347 176009.3182 166611.4473 168390.3981 168198.1169 164353.8063 168309.032 160941.5021 174510.8107 182.7344427 174.4218278 179.8408745 180.3462345 185.1027763 194.6266469 GTInternalStandard_CE(18:1(9z,d7))_2M_feature1 251459.0001 252124.2289 294321.1348 244761.4413 179192.5086 239465.6428 256983.232 257937.873 236316.2849 310237.5874 355179.307 253594.7513 245943.3031 255495.0098 249078.2563 305501.7466 235735.6076 281348.0497 245132.3996 265957.1583 232736.8769 219561.3156 258754.4978 249689.4284 280670.7682 252076.0194 248467.9696 270090.0544 224093.6027 275434.8581 165406.3066 193087.5479 224748.7535 222672.6752 242437.0457 164973.7115 215181.1766 186793.4019 256463.3981 199216.1492 204435.2841 285166.1333 237355.035 247875.2601 196490.5722 267771.1487 210932.1347 270693.6605 206999.3368 218351.9923 264944.281 333196.04 345033.2791 414005.7557 227791.8692 231070.9074 244346.7764 270663.8484 252846.4556 238798.5665 233253.2008 255419.8709 219660.2888 537.974013 561.1359344 558.1701493 620.2502435 690.8535704 687.0710186 GTInternalStandard_cholesterol(d7)_M-H2O_feature1 15020.41671 17186.3561 9927.003806 11202.32984 16413.45647 14434.68322 11958.45027 8365.171415 9182.086121 15016.20585 10534.40744 10860.27434 13040.9099 13658.31104 11802.0604 22370.65284 8359.671543 10463.68692 16122.56548 12501.69074 13913.41834 12765.39648 13861.28104 8687.237965 14399.17961 11314.66265 7039.145208 13223.18976 9993.507329 15651.65542 10719.99255 12033.60242 12162.1809 9780.45588 11738.19611 20108.18744 12858.9953 14426.91842 13116.7235 8673.419099 15860.13802 15826.30568 9490.037796 9379.494638 17788.89746 12377.08356 9125.906234 12367.41535 10255.3849 14596.27213 14531.72139 10134.29885 13346.77703 13126.01839 11257.28691 11079.63267 11590.77608 14614.08409 11870.87371 12490.32224 11175.70192 14319.49106 9629.44469 118.0495882 99.22087368 100.7651309 112.0766352 87.7429854 98.44966357 Ubiquinol Q9_feature1 8893815.825 12329400.66 13258943.62 11097088.67 11045752.11 15117440.33 12752792.77 14882904.15 13021859.65 11403027.64 11864159.38 15933134.34 13813007.32 13490493.68 15054501.86 10119092.71 17409818.52 13905340.12 15331503.22 18530510.51 14474686.44 13505299.99 14785459.01 15154849.68 12616380.41 16970583.81 21269820.63 12117362.41 17507615.75 11064115.56 14014456.72 12765404.4 7264410.484 13140510.84 14223921.5 9835590.326 15424086.8 13803728.03 14473404.09 19342274.06 12593452.48 11955573.77 13731899.82 14463075.87 10671100.85 12502011.55 18980594.66 12031284.22 12640333.25 11144555.32 10697505.35 11586388.8 12864470.08 13725015.33 12745723.32 12783966.13 13543953.64 12882881.71 13268711.35 13110185.06 12821595.98 13859635.78 12210616.41 1099.447445 749.9084472 852.4354297 1085.063904 960.6386106 1093.765168 Ubiquinol Q10_M+NH3_feature1 1973237.43 2352551.549 3084552.185 2281439.173 2543721.676 3245335.601 3050929.818 3874169.916 2801626.338 2786792.857 2759016.583 2982295.168 3425484.044 2630718.785 3621123.005 2602273.88 4527561.886 3844038.747 2970039.202 4077716.036 3342989.925 2948975.764 3671856.247 3538812.427 2771126.887 3738788.04 4768186.037 2704788.047 3906365.415 2579847.461 3223773.804 2576287.394 1631488.027 3104507.838 3818449.949 2127356.2 3541316.444 2887600.58 3429809.466 4871009.61 2524404.859 2801721.857 3170903.793 2825511.518 2052154.65 2856777.375 3657078.647 2808528.361 2661794.245 2042569.233 2022384.808 2134408.266 2384357.668 2612369.842 2943940.628 3138663.109 2916943.983 2901160.461 2895684.771 2982519.752 3071440.641 2945421.023 2993742.844 505.4219254 517.9479124 517.66902 526.6862219 525.3444353 548.4347197 TG(60:4)_M+NH3_feature1 1309200.472 1493434.431 932164.21 1562300.722 4169974.913 1213078.609 690692.2839 734282.4194 1604601.87 652664.0207 535525.3143 851478.3205 534072.6537 490423.0412 1096558.436 887406.0676 1536246.814 615623.915 399257.6304 1351426.631 654410.4848 1816486.276 542562.023 296612.186 535324.2847 1232615.544 612322.7762 1092915.116 758203.1668 130270.0716 1366499.752 2839395.373 710465.7931 877346.7847 730809.7249 4008424.46 389271.8944 3672976.632 484921.1195 1040853.731 1818142.099 576217.4979 1047347.104 1561060.495 2370922.762 400088.0278 1204911.03 253119.5154 895542.2631 981786.7311 790341.8384 818608.9332 268390.8603 253002.3454 1172317.215 1204142.18 1278340.594 1318478.06 1202501.479 1225820.059 1262828.034 1227989.411 1184164.122 225.5076925 224.1383732 229.9469809 211.1564852 223.7676746 238.454081 TG(60:3)_M+NH3_feature2 1725285.477 1517441.291 920441.6513 1416029.685 5169098.627 1079474.661 698414.3829 849848.2831 1654676.028 631036.3972 504347.6312 969906.5623 568978.8441 464481.4988 1044729.352 973405.1069 3126675.094 695625.2204 397033.5173 1208617.162 720891.1036 1994543.435 585535.2167 281829.8137 512293.8317 1170205.023 652456.0766 1298743.624 939512.6254 98720.67252 1858411.923 3952962.995 593339.1605 817908.9649 715227.3155 6050072.062 359813.0986 5856210.358 426943.9738 1069856.917 2215280.209 619593.6465 1010479.725 1344659.854 3229795.509 464131.9397 1606603.601 291989.2396 898799.4315 878572.2333 632399.3391 590170.751 241536.1656 178176.213 1236948.984 1374543.313 1423991.706 1339142.274 1323535.607 1375700.799 1421611.348 1247771.458 1320643.583 392.4868387 405.8721022 430.7625134 372.84894 410.6593369 425.9397301 TG(60:3)_M+NH3_feature1 14208.60581 19374.87038 9463.734664 12812.20466 30405.76868 9396.122392 11921.69945 7725.836615 11225.2532 6592.196114 4273.241217 6847.516688 5734.803626 2612.925184 9200.686082 17913.89616 18851.26366 7500.88356 4960.60778 14856.66331 6937.649966 17663.24822 3428.782581 7467.282049 5470.669481 11180.84435 3739.805925 12050.32298 11105.02195 1557.675439 14157.19614 11609.76491 6203.624407 6991.733643 7038.528198 18618.98194 4470.83044 16116.97495 9056.511042 8988.462225 15750.09186 8117.05765 9991.127855 12758.16621 24930.35906 8803.016677 18974.02421 13885.8068 10281.73074 5320.95482 8009.493572 9219.941109 1879.846499 1083.1752 12167.39058 10726.61901 7695.651539 8024.042741 10524.18186 10709.10323 12133.55096 10471.71325 9653.83968 66.40986198 57.40576933 67.17392305 103.5511974 109.6771367 106.5917055 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature5 44924.42645 83894.17001 128270.6503 93607.06593 72153.11068 109103.716 160437.9368 208536.1492 75884.76011 167926.4304 205319.4283 194712.4892 163230.3966 344765.3622 201646.5585 127633.4605 139206.2552 200386.1351 237494.7908 88146.23832 151631.252 58298.81901 201744.4079 210100.8352 145802.7861 135018.1191 248758.1405 146095.6133 192118.5971 200650.6892 87854.90825 140545.7688 118807.2795 141820.2032 187708.0825 102332.7857 163603.396 68261.003 131140.688 193664.2566 93963.81005 118719.5927 180577.7337 174869.8862 92062.11945 165830.633 152276.3534 136618.6912 80712.89931 122054.1354 144772.7116 175027.9164 149824.6568 202306.7811 139729.4589 133303.0943 142677.5808 136842.7302 147162.7771 148663.6012 145404.593 97173.55649 160543.7802 1021.89682 1223.436124 869.8687331 809.1597812 483.7962311 473.9843005 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 137884.6676 319453.6401 214587.8093 431343.3619 794157.7146 263464.4784 476874.7857 433959.5814 847980.9957 241523.7263 226140.7637 498944.6237 207619.0499 793146.2079 906232.761 334386.3745 566042.8361 246535.8598 532114.7128 372773.4635 527294.1207 337563.9749 388391.2524 245392.1324 169976.0484 596939.4949 367469.8009 388487.2991 320828.7606 335343.141 352131.434 920990.6546 279229.7388 173001.8423 323720.7815 1320239.626 248757.6236 572854.7562 391441.9236 440288.6427 400095.1731 239992.1156 280063.6274 485024.0254 449254.5954 196692.5643 331980.1471 276485.7291 558364.7762 425461.8919 351782.6891 342859.5895 159458.9941 120829.0309 473059.5153 454960.9161 501746.5294 457518.3407 429935.5521 387612.4591 453727.1518 469501.216 505875.3196 519.2977626 584.112287 625.0844679 425.1243542 558.0975844 577.6681823 TG(58:9)_M+NH3_feature2 243933.4905 360145.1513 71094.56881 530208.4545 1076964.486 379632.7936 186705.4871 355106.5952 1009954.374 130116.8994 84107.97006 194452.8027 57861.36963 59784.37618 497253.2189 254932.5335 558458.2168 101326.6745 155499.8815 261076.5058 413390.9381 849136.9082 178376.9079 130478.2168 78625.46292 414393.0924 144286.0384 205504.4055 41750.23615 116867.8531 311022.8325 2528557.826 180916.4556 635342.1728 157597.4218 6205609.87 143223.1841 2349708.204 138807.0641 502316.2066 258744.4424 91593.11118 142441.0679 673878.7586 380417.6266 49742.83077 214187.685 29104.10369 199396.1818 317047.4315 566834.3233 589644.6715 147643.0689 103980.6977 357812.9698 346990.76 305952.5065 362233.359 370228.5688 225519.6857 462189.0207 340621.2315 313506.3421 272.3569165 266.5767513 278.0681155 290.6934082 312.7606704 310.1919956 TG(58:9)_M+NH3_feature3 2274228.273 1810129.523 1061097.156 2288054.257 3462633.454 1957938.816 2159402.167 2405331.429 3865880.932 1149908.91 1012607.801 2227909.069 1134122.716 2184967.366 2383271.575 1212472.899 2935817.58 1342536.101 1367165.701 1955646.33 1992237.871 2826283.84 1619099.118 1268016.279 922887.153 3011769.837 1942133.18 1790391.544 1391879.129 763803.7861 2494662.146 6861675.948 1872778.746 2324111.975 1915097.575 11651040.02 1387742.982 6212840.583 1194888.552 2892680.282 3002690.744 1059471.727 2052321.759 3759222.42 3391825.84 996646.162 2528893.798 1012984.248 2274862.226 2296600.742 2264526.538 2120024.441 860322.956 826737.8429 2371794.126 2363960.25 2300844.738 2398300.413 2392869.797 2704233.957 2347672.629 2356884.589 2256088.065 328.0807681 369.6882701 396.3253732 307.8538161 404.9454532 419.9743493 TG(58:8)_M+NH3_feature2 504416.0167 317862.2457 134270.048 464851.1172 685469.9686 335586.8042 422277.7283 461357.1112 802354.7097 225933.3932 98539.04233 349840.5659 105463.8012 210430.0574 310540.3223 187821.7391 456224.8476 154538.4621 123640.9958 369481.7804 364617.4523 528370.1405 257174.7737 235277.9183 102976.389 444030.5024 222294.3055 299115.4317 192093.1098 54179.30835 473382.0988 1052198.289 352340.6264 505583.2801 386285.9412 1681168.97 272324.7121 889545.5868 220022.0353 494593.1599 427705.8865 142946.0371 275133.1409 592885.2284 489401.505 136064.6813 374440.0284 112314.5266 337473.2544 436050.6701 563875.9369 637633.3615 210756.4426 204623.273 450160.4409 403480.089 427218.0431 435868.3743 423803.2136 439206.863 428171.7623 427058.8499 429747.6743 201.2521538 197.8143005 208.0127808 328.8313306 349.1996079 356.804385 TG(58:8)>TG(18:2_18:2_22:4)_feature4 3208293.49 2390407.139 705734.7791 3045044.615 5546971.451 2473202.644 2704166.062 2733126.086 5250643.578 1036342.026 992004.773 2070169.053 685889.3965 1320250.03 2281462.144 1042221.278 3821298.485 1415707.79 1035737.59 2307080.101 1652535.672 4472515.67 1435772.457 1009558.762 946539.1556 3323513.421 1776251.928 2095627.049 1186895.325 679145.7942 3517487.463 12307114.31 2131491.872 2869288.721 2064991.46 22217544.53 1351891.498 12103166.21 1266621.886 2783822.16 2799780.428 948759.2822 1740679.776 4385836.329 3942448.58 738395.9051 2376988.304 664292.0902 2546370.091 2803731.807 2453518.628 3378487.157 670223.0077 1004677.999 2681263.704 3298027.301 3406261.102 2896196.432 3308094.899 2738882.119 2609556.441 3357040.256 3156513.132 333.4281177 342.4475389 359.328094 367.4180377 375.7618074 368.189143 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature1 1230688.041 1115687.017 739836.4738 1298355.571 1896144.372 1253688.605 1461623.576 1559829.4 2094874.754 505958.9269 999516.2631 1584186.976 802919.9098 2042509.035 2074774.371 540139.3096 1778535.214 652323.1866 1441204.925 1223833.04 1462137.165 1360310.956 1296939.679 1013513.318 724141.2727 1857980.939 1402997.329 1170706.456 1169646.554 820947.5214 1498298.607 3381116.826 1031400.399 1520032.781 1138817.745 5219749.698 1058682.827 2768074.853 963289.1184 1640097.397 1605374.553 628455.2167 812622.0631 2113829.107 1472369.191 765398.0904 1387646.821 771694.366 1581145.668 1393906.846 1452516.801 1576350.06 577278.3212 390499.2594 1510603.156 1546091.601 1555141.586 1535793.605 1484721.692 1486124.284 1626106.876 1614294.842 1433916.063 514.6991002 522.2881423 479.0091975 481.0146579 449.9306753 468.1318787 TG(58:8)_M+NH3_feature3 112606.586 119746.7044 57626.74069 124623.1235 195932.7379 123982.0399 110982.8875 131130.1335 218766.9244 64475.68626 53087.73341 135959.8071 31362.21234 85178.68769 131703.8858 58189.46984 179922.2009 77391.38502 53560.5499 107713.1933 102281.5994 155788.7395 77224.39159 68163.59802 50296.74643 175322.921 87262.30744 107190.6812 79301.30427 28318.69118 126812.8829 379936.1045 107172.0903 155028.1305 88942.14563 731179.4891 73386.28456 342628.825 61150.47975 132111.7098 158827.0783 57529.85622 106000.7956 222764.3767 148219.5034 26791.5413 131538.3608 39726.72784 116766.037 142432.0662 140172.9846 133257.6327 45713.59328 40489.92317 179322.5024 133186.9113 130067.6175 150856.6654 147392.8799 149511.0254 136180.4414 147673.4623 164248.3811 163.5373479 184.1335303 197.2467681 142.8378095 187.6665349 194.4035257 TG(58:8)_M+NH3_feature5 1280471.895 1475828.469 731858.5689 1622843.221 2128710.87 1284520.197 1520176.081 1384949.852 2071778.33 900900.3181 1125212.105 1576784.158 791026.4212 2007252.173 2068063.877 956333.6855 1974660.592 1136243.497 1256775.136 1459938.821 1591013.955 1021671.994 1040725.395 952159.3386 563458.8612 1901077.679 1337451.667 1239920.405 927614.7434 940585.2219 1270583.862 2924146.218 935304.4751 1470985.343 1302810.175 2149228.694 1060884.748 1968306.024 945952.7696 1961136.235 1340282.982 979357.7043 1256716.081 2430205.92 1902287.654 963397.757 1243430.137 813091.9236 1571545.28 1659215.477 1049054.184 1347711.929 496245.4015 652780.1506 1407228.862 1503500.02 1572910.976 1564586.718 1586146.723 1553805.133 1495980.502 1366863.639 1550168.395 1563.866774 1873.605425 1394.857805 986.3558341 587.7784427 603.16872 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature1 1517080.985 869561.162 634439.4976 1522590.404 1944783.955 1203839.265 1414853.792 1293628.62 1916569.623 888386.5601 770871.1524 1054323.066 520499.7794 997497.5574 1245172.967 717767.2764 1645756.614 943833.0574 766791.9041 1158772.624 1107249.552 1440573.374 909687.5424 940251.5137 585830.9592 1528927.791 1068552.65 896180.4287 652319.755 486670.0551 1362731.613 2607254.263 1323004.549 1386438.618 1384323.207 3086122.283 1003495.678 2319597.125 817121.2103 1566762.819 1379164.487 814624.1436 1068507.217 1710983.103 1583822.775 613389.2561 1364947.841 582847.3181 1180980.634 1444250.528 1330365.239 1602172.724 663893.1029 755080.9552 1280473.304 1332457.768 1239075.904 1296962.965 1148997.996 1248133.691 1348476.97 1258319.685 1316240.636 427.3516198 421.7938941 463.9169213 662.8327923 662.1270773 672.3356763 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 6591760.796 5256513.56 2060921.853 5675941.295 12211536.95 4857601.592 2680754.214 4668085.841 6020801.663 2221112.217 2009256.071 4816251.523 663220.2454 1928047.845 3028710.992 2557850.862 5993539.659 2381249.292 1591087.526 2706387.972 4718547.365 6925462.319 2077503.579 2244803.43 1514347.303 3759197.067 2712210.419 3467890.285 2178924.895 923900.3068 7668333.614 17566062.5 4145600.513 5308818.356 3921365.202 27809558.56 3123862.09 18932770.95 2081358.26 6190928.474 6884900.507 1888923.915 3254639.28 8348292.788 8392335.368 1286658.848 5635392.364 1102429.464 3737930.552 6414273.002 4125071.084 3314642.084 1233959.531 1449301.965 4745508.835 5831468.431 5308821.991 5575741.462 3734864.184 5399991.026 5660728.141 3631812.105 6353783.126 397.0452161 400.8954331 357.2010548 420.2114375 406.2689595 414.3096763 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 759491.8705 760056.8074 259232.9412 913875.8138 1244694.995 764797.3348 725013.5244 746981.7149 1220288.301 468595.1544 602576.859 492875.091 304056.9487 795898.1518 836082.3735 560048.9098 1405412.71 703057.2286 582304.9241 980484.5866 615630.3819 900485.1484 348998.4764 449073.5533 224613.168 1150377.025 420822.8363 746385.1039 566928.8196 387889.884 888720.1948 2490437.466 718459.7392 923842.6161 656657.1725 3716650.037 490689.3001 2340238.73 502657.7461 1111591.444 1063094.419 581257.9473 712721.9878 1534700.556 1274307.479 493949.4405 601762.3944 232508.9784 868492.4004 1040509.726 732483.7204 748342.8285 325058.8644 342903.7385 918635.0764 916740.4766 897614.0195 1000361.021 545843.9339 985464.3895 922001.2605 896291.8141 927404.128 327.2206799 303.2206329 315.1695465 295.1541175 307.5208426 303.7351782 TG(58:6)_M+NH3_feature5 3151235.783 2665734.943 1329654.117 3154855.709 5214564.033 2535325.47 2161422.613 2358925.625 2451204.967 1344199.635 1183674.425 2255162.88 802632.6837 792202.04 1813299.044 1406148.05 3047458.408 1521469.005 1122615.027 2492514.909 2313478.861 2920260.491 669630.3084 1016867.575 943559.2582 3090935.078 1699627.779 1959747.638 1248273.858 321367.3979 3248032.083 4806029.294 2244222.317 3059729.02 2077380.56 6930822.141 1774682.154 5021236.113 1238390.924 3391613.059 3319827.462 1295748.12 2140451.162 4652704.725 4037171.627 895391.399 3338562.067 1126390.7 3019622.298 3360017.061 1986303.089 2013096.121 689059.6821 673243.1185 2948343.599 2950787.893 2822561.52 2911334.596 3159911.536 3101580.025 2898679.837 2752178.604 2992955.61 317.244697 324.5568251 337.6355348 340.1006707 354.7670506 345.768359 TG(58:6)_M+NH3_feature2 1209131.392 1075732.092 716594.0238 1287996.153 1235947.93 926082.4462 1203685.896 1276387.314 1398109.613 953945.6213 906863.4625 1026549.006 607727.9714 815596.2136 1068787.642 747436.5319 1427497.754 966020.8112 749195.749 1159950.672 1115961.194 1088207.884 684779.7243 781023.9627 674464.627 1380033.483 849803.551 1012056.226 733087.5217 409525.191 1128785.287 1743359.004 684976.1966 1221517.446 1183675.055 1071589.31 951990.3124 883516.0942 709219.6689 777797.4498 1124977.501 890080.6977 971571.6464 1384722.874 1245453.523 689033.9055 1222651.823 681341.8066 1063721.888 1322921.844 987113.8869 1346060.891 378542.8993 647385.5907 1171147.798 1248955.592 1264702.974 1199592.858 598350.0773 1175153.102 1265555.61 1206472.389 1316856.019 230.7601781 243.0787261 241.0011491 411.6611567 401.6687566 433.2269211 TG(58:6)_M+NH3_feature1 278705.0201 231502.761 67671.7613 354573.8837 741114.785 262230.9595 176252.5129 176549.6487 486083.1629 74731.90042 61402.6989 133667.6837 29171.0896 6811.537806 143891.7184 63588.35944 231809.2249 73452.89482 48988.82716 155592.5329 154293.2029 332445.0276 68155.86677 68166.87882 49141.0607 230897.5092 89775.52483 117062.9028 58916.1364 26025.17148 374016.156 1319308.957 174349.2677 295121.644 131741.5956 2942020.912 106490.154 1158021.054 87485.83881 406979.7334 316094.7774 72849.80132 107473.4573 485694.6687 386251.0489 42124.29307 221376.0836 31420.12537 203042.283 273340.2107 236282.3887 206587.2791 39301.55102 40389.97418 232384.7948 257262.2355 258845.1888 272570.4919 253703.5486 232418.0102 254613.1838 243451.6043 257566.688 153.1615145 153.817915 136.3190522 110.6352977 102.0420822 108.0107951 TG(58:6)_M+NH3_feature6 2677236.045 2149238.974 1217353.318 2941624.98 7257014.828 2475718.828 1940198.064 1756991.556 6188062.151 786070.7855 1234952.944 1966076.721 975983.95 1956289.105 2799286.698 731105.538 4409929.708 1616342.202 1161968.688 1346835.829 2172099.929 1657817.419 1516277.829 1223251.017 728896.6709 2539131.403 951635.139 1902333.619 1030732.721 1019826.084 2027023.046 12971842.57 2071358.862 2254082.77 1337186.847 17364107.21 1580999.932 9715031.356 1512915.519 3315386.005 3104912.527 1188119.728 1120852.811 3667788.066 2915012.724 754854.3202 1891418.222 561258.864 1963760.241 2988942.726 1856975.13 2187729.772 459567.6271 830934.8955 2661163.416 2591663.996 2880193.968 1813188.066 2007784.329 2679939.953 3241959.024 3187545.932 1782462.955 622.6284471 664.6453093 666.8600252 775.8774815 807.3243034 825.8633284 TG(58:5)_M+NH3_feature3 127067.8241 135682.0631 57303.89478 207863.1469 591108.4172 159264.6848 90017.68363 152310.0274 390005.6812 56827.77745 47029.81536 124103.8536 23155.00394 87255.7866 167449.2079 62009.97438 299221.5517 67530.40946 63254.96298 124173.1139 115659.9431 217818.031 67757.93692 50906.52583 38625.03627 139075.9147 70295.56611 62421.32917 58895.85408 37759.72266 204150.8114 1180673.245 115118.1046 196039.2345 107283.9426 2132226.223 65294.65686 1069701.287 65277.1507 236410.1565 226649.6727 48357.54186 92467.37223 268825.6207 227131.6277 24343.22527 148845.6398 14943.70764 163940.7989 198486.7742 105773.4555 117820.1549 23044.02304 27185.74872 171278.4475 181596.2467 202326.065 184294.7472 172602.353 175423.9921 184526.5552 182770.4082 182827.2186 188.7904214 192.3587706 195.5431293 178.9721064 177.1658484 189.910076 TG(58:5)_M+NH3_feature2 290244.9366 182452.29 123709.3172 212601.0045 202640.1414 163266.7536 225598.8257 232970.7408 247462.2319 211073.1126 152827.7228 277185.7346 172146.3378 176844.5478 206053.5418 153542.5873 275561.9966 210599.7642 154943.5754 191327.4357 224777.1283 172194.109 186135.0702 211212.3292 91462.19049 236988.6411 184269.1478 132617.5088 199743.26 146990.4007 227436.276 313010.7115 198677.1523 234400.6372 231591.4836 66813.73914 225109.4021 289164.6148 152232.4006 263269.9524 225994.0607 182873.015 284333.5826 242079.2834 239560.3011 247756.6842 285737.0412 240380.0373 237446.5002 281315.398 161651.9922 171072.3785 142264.1798 79757.23448 236393.8059 222075.7197 202478.3532 244969.8179 220260.1212 227646.6355 235528.855 202973.2909 238328.2811 176.181861 185.3626566 191.1527881 295.0930067 292.5540822 317.8882667 TG(58:5)_M+NH3_feature5 1783733.413 1617241.854 1015928.838 2041840.928 2965899.901 1498272.566 1549125.058 1623549.895 2802511.7 1062541.433 1112497.527 1563033.254 747689.3486 1579420.648 1889252.56 1024041.713 2426586.069 1148031.827 1027626.591 1609959.714 1625084.867 1699970.142 1286338.723 939476.9166 737256.158 1803137.83 1248704.935 1402194.377 1049936.174 601527.953 1903985.255 5032717.181 1310548.704 1748736.986 1345867.466 6862178.748 1007319.334 3951512.366 1036599.006 2233033.58 1976089.69 990063.4449 1412710.25 2607400.591 2221541.023 766035.1033 1734658.485 861111.5305 1909972.951 2079188.389 1279364.749 1414284.863 618297.9195 604970.0462 1713118.793 1785804.384 1743237.336 1770702.876 1582146.216 1697852.974 1731607.407 1791552.261 1745386.432 344.278015 357.7787201 354.9117748 361.0786353 373.6956658 377.9226112 TG(58:5)_M+NH3_feature1 61684.28514 88055.97191 107259.6845 92175.43162 34240.4806 98661.39973 80964.10597 75529.12332 61448.2519 55958.81484 92100.85875 59427.81573 101783.6742 88071.35984 112019.8062 95715.13959 82763.22874 83468.41639 86527.81049 91168.22317 62557.05707 27603.19618 74852.55289 75205.19971 66913.05882 100305.6207 91522.99647 64515.92288 105596.2171 83509.63556 35023.57199 26369.35966 72577.69063 8739.151539 96004.66153 56905.24202 71194.16153 34151.35242 100943.6446 84177.03383 45929.81996 77774.27664 81594.51974 108267.6316 80098.80219 79546.88554 42993.83791 75257.66097 55328.74833 82568.48406 117987.1948 158731.7691 130618.7905 142825.2729 68603.0868 67896.08508 63680.37967 92083.42177 79091.20465 85194.41359 70083.02576 61174.9896 64991.43459 180.1975719 189.763258 199.1734164 314.4431595 323.0901539 340.8247386 TG(58:4)_M+NH3_feature4 1448793.834 1516041.012 1250443.285 997296.2078 2778189.168 1248564.046 737156.8582 688442.7301 1094215.213 592620.2358 766906.4581 841974.8589 760251.9274 674578.8164 1135228.663 865801.0046 1674468.444 877784.2771 565148.9936 1305307.303 551827.6765 1638286.633 648773.5684 463912.525 589062.1847 1113446.423 990732.5655 838778.375 1088353.144 386587.3396 1333401.662 2553837.263 1085286.899 702247.4993 992680.7665 2411418.294 728809.9073 2276194.665 683506.2437 794184.3995 2229770.449 897291.9564 994733.9104 1442432.162 1587916.603 463785.9811 1766942.405 492356.096 754753.7632 894842.5011 1047263.066 1490742.735 502467.4355 624685.8777 1398662.846 1410368.659 865198.9012 935628.8933 1380692.947 1692502.32 1291183.933 1245834.459 1080215.546 236.711247 237.9791504 235.7572784 287.2644339 304.530123 299.6258698 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature1 20184.62657 21869.96066 10010.1282 29057.63442 65193.58996 21307.41392 15549.34811 22606.10198 36143.18218 10271.18559 10023.01428 25840.33924 8769.639288 28562.23127 35793.93681 18296.0743 29213.3548 10663.30078 26846.14248 23648.91808 20580.70903 33108.02615 16625.67393 5938.357024 13375.75822 24095.27366 16367.598 21795.56202 14493.0031 14687.81283 24053.48076 41977.9656 10302.058 26173.19969 14808.7634 37950.29418 10423.47408 79608.2174 9608.594059 24711.15821 34239.47718 13314.79979 22348.77938 34530.20459 40679.62801 5617.999856 23555.47363 7394.499132 27476.41279 33917.79023 10890.31605 11003.60212 2763.924477 5065.31604 28734.91865 23120.73004 22820.01273 23056.82985 24275.52062 29917.12855 26858.41027 29716.46224 19590.79777 215.2848942 230.3022467 220.2352187 171.7392317 175.7622651 181.6066726 TG(58:3)_M+NH3_feature2 3355147.901 3015602.359 1874702.254 3089997.938 8822143.831 2738237.905 1429646.103 1505616.686 3392343.645 1542393.912 1206598.2 2093343.88 1347700.399 1122158.731 2606831.635 1995548.216 4545590.642 1451455.765 1009169.492 2949563.147 1477896.461 4180870.67 1181896.352 778489.0697 1217485 2668853.52 1295766.354 2659579.77 1621350.411 367939.11 3786358.137 6082099.099 1832919.802 2143889.018 1520815.755 9621894.503 882342.0853 7995874.428 849660.2251 2229105.78 5011390.467 1369030.781 2307512.725 3471948.929 6215874.106 846428.5322 3492416.819 642305.9512 2213800.752 2323530.38 1580134.713 1501434.47 471394.8741 526829.0037 2250857.265 2738242.795 3031537.51 2885137.957 2804655.905 2558790.663 2675417.922 2819654.438 2477759.939 646.4820661 642.4112204 658.9108702 608.8501856 643.7700956 676.9872353 TG(58:2)_M+NH3_feature2 2156358.176 1589828.273 747962.8927 1550284.78 6115087.107 1129531.44 707831.8135 1086862.115 2556516.22 897979.8664 583935.7341 1316999.793 831932.3373 484651.4215 942373.5744 1123280.196 2924363.248 685181.4363 429867.1823 1197503.73 915126.4754 2276379.411 810945.5708 311310.6177 631702.9331 1380293.627 747593.728 1670712.819 1229937.008 166813.7264 1880143.814 4529344.652 714174.982 786295.8162 641750.7809 7294740.392 385878.7209 6084157.271 404110.5172 917784.1975 3131916.594 822444.7065 1505576.014 1912017.476 3777999.718 448729.7893 2075634.268 473645.2167 1287215.99 1266410.792 604307.185 591366.0776 218922.2112 192609.6425 1641323.349 1264113.705 1327318.95 1747685.831 1589407.06 1225715.655 1226928.452 1642176.656 1550611.423 315.0141891 341.6634369 345.1594402 272.5394522 308.0421578 319.1887854 TG(58:2)_M+NH3_feature1 35597.09082 30536.39736 11182.80689 38985.6852 182408.9663 26076.15699 8006.484243 16446.3152 31107.81168 11518.11341 9309.368082 30355.11567 10199.78944 8675.965821 35987.87299 29629.17451 65896.62848 17830.74954 10045.57269 53315.21737 17998.94157 53137.00816 9000.385853 4395.431828 8705.076983 31749.25807 18402.93411 26616.47885 31669.24944 2292.93819 40923.50589 73560.45687 15946.95373 21665.15056 16889.04003 142406.8463 10525.55505 104063.7675 8678.996643 21410.89126 86089.50165 14657.45 27022.18985 49383.24927 132478.178 8561.665693 44842.84652 6775.689825 32964.05947 22671.97507 9911.026936 12497.64758 2531.857666 2238.416579 27910.87776 32722.04469 30678.21718 33918.36472 25171.55927 27133.11856 24107.63927 31910.16032 34122.80851 82.26080293 70.50776813 83.97145629 65.12649422 65.7776215 63.18334359 TG(58:11)_M+NH3_feature2 17393.23579 7675.108519 7159.967237 8932.720492 12468.51841 8693.537632 14052.64144 21724.61359 31317.74623 9476.138281 15989.0527 48478.20855 29145.39782 77715.85371 23478.85005 13057.96117 31262.05017 20309.28386 20623.90658 23930.32105 14540.12344 24623.40978 18167.52494 18885.9837 10531.33487 48435.69935 34708.88245 23657.01185 22454.67698 14264.95958 24477.50914 46752.49292 11632.53808 22916.34729 17320.5566 65872.82062 14161.90788 26635.08216 5196.562487 13663.6387 57522.94311 10469.66875 64887.78592 37058.75506 20457.42773 16931.41527 43699.82091 11814.67163 15541.39636 17893.4617 11758.53758 21027.54206 7346.36371 12873.81127 22216.72459 17272.67869 22172.42696 23265.14146 24117.22688 21269.58693 19476.99982 20124.17517 21107.39296 218.8931938 222.4223772 249.1430448 349.2578452 365.618614 407.5672639 TG(58:11)_M+NH3_feature1 75670.40666 64644.20682 70279.49488 97077.65075 112891.1472 88948.9554 95749.1763 117843.4487 212740.8151 50627.10367 79060.06172 161832.1009 103459.121 191562.8276 153272.3719 67694.64109 168765.2696 100311.2653 118505.2464 116369.3714 134368.8191 154963.0706 109784.8795 85638.64366 53446.49773 172197.1379 152294.6277 110793.9338 112771.8043 91303.90378 115964.144 240938.1667 73269.54418 134707.4683 82938.16709 518053.0123 63781.12582 214872.0671 61260.99886 102629.712 161763.4131 69501.97878 130056.0056 170238.6984 97073.51896 71495.28688 159465.2232 61524.83688 127245.2641 97203.99818 107344.7369 106673.4995 51580.14753 53416.61683 120281.76 116082.7824 116009.3649 120477.3334 114452.5844 124880.5278 116884.275 121605.7748 114284.262 368.6531727 345.0910709 420.375507 345.7377072 332.9545173 382.2956721 TG(58:10)_M+NH3_feature2 736832.3134 605646.5513 406527.0693 779698.7818 1410808.971 692746.5379 744303.3783 892652.8749 1895064.326 409942.3979 458731.1229 924391.4152 347818.0412 1148926.644 1145548.562 404167.5966 1239037.338 581819.2868 679154.4482 829565.3423 888197.0559 1164318.868 726073.7703 557575.8847 350965.3426 1366591.692 944153.3306 707979.9758 659763.7854 477754.1689 1162168.675 2986405.873 618125.6141 1078170.441 727951.08 6414843.39 523440.5882 2912221.785 480432.166 1034684.2 1178530.455 432656.8234 793298.49 1501171.043 986892.3455 394407.6723 1028701.732 378893.9379 968450.9408 877021.8974 894322.5744 1073391.181 324019.6172 394755.2487 864138.7948 939041.1709 878943.3603 907755.4924 877011.5514 923107.017 877471.1707 902034.7324 891191.4411 275.2418093 255.0104175 264.3336314 289.5932152 298.0766923 316.1412758 TG(58:10)_M+NH3_feature3 322570.2467 215178.8207 141249.4671 245409.2485 279256.9488 214423.7752 408545.4192 474830.4329 633761.8499 237433.8152 407240.6832 743220.7328 440046.2818 980287.9029 608300.3002 266084.3876 507803.9159 395693.062 619833.5673 509140.1344 369462.134 316341.2444 376696.8458 349023.6344 244568.9153 706336.6832 571119.709 438636.3256 518088.2117 253863.5878 461988.1293 941427.2434 322053.4188 461531.1408 338177.8326 1189067.877 384260.9578 578446.2294 226840.1347 420312.7475 742726.2149 314578.3846 910046.9518 831931.6663 596289.7669 547234.7082 781459.1773 505577.7349 650503.6971 542493.9317 306259.3166 341869.6202 161960.677 177494.896 469953.4407 466855.6975 513978.4434 495335.487 440567.5695 460284.7519 500785.2312 487755.984 470303.6129 221.0740602 221.6782839 220.2413095 241.4628603 253.1038034 253.269031 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 520200.3108 504147.711 255763.5064 463440.2657 1432722.395 433438.224 299319.2815 343243.1965 587969.1853 310582.1786 218052.7822 411874.3153 232772.305 253257.6129 358704.5877 348492.6457 1011011.147 297886.8778 203962.3453 500498.6897 281882.3046 637419.9973 282607.1977 191250.6712 305691.7763 456968.6958 349628.5272 493453.3429 380788.5451 104282.4376 659646.5463 1037012.051 302955.8067 323507.9231 310741.2973 1626476.49 191423.4854 1083502.938 158807.8967 383744.5657 761733.7435 269089.0597 455663.6525 447099.1264 892846.1115 252980.9649 551918.1417 192765.1202 448780.0781 350943.7989 152742.7183 131789.5378 96084.29658 82917.81143 508883.7712 483903.3303 476514.1755 517043.636 488201.9146 476581.0003 492815.8118 512587.6249 489529.3694 261.7887518 246.4028941 270.6369256 263.8617241 266.9780106 270.5891729 TG(57:4)_M+NH3_feature2 312623.9001 311681.7716 139474.8016 365298.6168 858042.3102 347605.9058 198280.7555 224983.0934 408312.5777 116941.9442 92995.66018 233149.7824 105118.9065 110564.7391 240711.0629 177746.2376 393687.9674 139504.914 86154.36752 261169.3303 164681.7942 478262.9272 107082.3606 79625.51687 119982.2487 256081.8182 93749.95574 210571.221 189834.6881 38006.07609 383144.7972 778760.8882 219613.5369 275537.5902 199623.3215 1210092.949 120156.253 791268.4715 124655.8716 267278.6418 393995.0714 106532.5963 233903.3119 265532.8274 475272.8367 78527.42225 338088.3417 68536.67688 115442.8473 243212.8487 254594.7209 261850.9824 67399.05705 76376.92366 304513.6342 326113.61 203166.3323 251250.8571 290897.7633 285459.6292 277074.5195 293653.7004 282886.4623 441.1975958 455.9266117 446.1502113 435.6783567 432.3230845 457.5972321 TG(57:3)_M+NH3_feature2 580550.2764 572810.2173 357931.4475 634102.8803 1680274.962 555215.4396 300046.8785 312326.2351 689294.0653 276188.743 179107.8655 332979.5235 205882.2271 140414.4649 344323.3451 301572.9054 751306.0195 140869.2752 155351.3449 410439.76 279338.9877 829269.1289 243958.8253 129704.282 241792.7678 416235.0612 226206.1782 430753.6688 289837.6685 42958.55546 664527.3485 1272992.068 328591.1858 382367.6981 280288.0377 1963503.706 188218.0303 1473306.006 212512.6816 460790.6653 799055.8557 196648.2091 390271.6512 567338.2951 868028.6545 156628.7245 539451.1871 77686.76528 242910.9874 375665.9497 334438.0377 333965.0837 126320.6897 121395.1973 440771.9504 508668.1107 480574.1527 481662.6065 446214.5621 467818.7609 470249.4023 478017.5013 476396.9275 339.4519713 337.4497751 348.0104778 311.8580256 328.5533041 316.9810441 TG(57:3)_M+NH3_feature1 145092.1312 158085.698 121782.1393 172365.6465 337228.5382 163725.2933 93074.05963 93999.11155 169643.8038 86739.25938 54363.68652 83056.38145 47588.23731 19142.66303 86696.27267 79432.30343 165892.9317 57533.1004 40566.58851 103660.7231 81382.61994 265146.044 60396.88555 30622.82037 58910.86771 92499.89414 46509.38707 105862.7739 83333.01327 15262.27315 139597.2294 274142.5473 92796.81675 96310.97156 75962.0998 345866.624 48830.31814 427012.0892 58409.3482 120522.8962 174241.0746 68983.76217 93524.54743 149277.4435 173497.3323 35010.62494 115046.7586 43945.77088 96370.4243 96619.29056 127967.8426 150777.6227 53674.91348 58084.7601 119710.5023 125498.8368 119041.0911 129159.9766 98834.88686 110281.6549 105188.7865 131327.6249 139756.1801 193.2400937 202.8075035 199.9164205 413.4376965 418.5633669 448.2383753 TG(57:2)_M+NH3_feature1 443745.9503 389559.363 206632.42 486840.1442 1714594.643 365725.8943 154262.4978 206546.494 529407.0832 173087.5398 118372.9357 180457.8858 98220.98198 79549.86596 212369.8043 149464.5411 619671.3655 117300.367 12208.36944 237787.246 178881.9654 612269.123 16355.07946 13374.99843 123363.0953 250790.5805 110604.405 311621.2445 142247.453 26911.80645 546358.0288 1199778.06 183167.6434 238461.7111 152489.4249 1934940.071 11872.12485 1449080.262 11504.01367 233560.1863 671011.8265 119612.0237 254660.9065 433906.8486 383952.8803 54623.18708 420525.3996 59714.92345 290329.0649 244914.1782 147310.8501 154457.1774 44767.78551 51245.88326 317810.9778 291988.701 308315.0496 307241.3111 325738.0936 340174.0883 322618.2642 200268.2769 365959.938 286.9528561 303.0288025 297.053965 307.5547725 336.1032891 323.187727 TG(57:1)>TG(16:0_18:1_23:0)_and_TG(18:0_18:1_21:0)_M+NH3_feature1 152846.2263 166971.5432 66761.89244 128737.1444 625395.1354 117933.0959 66562.06359 78754.47369 180430.7862 74375.98084 44457.30678 94290.0375 58180.45674 43579.24972 80008.50639 87327.04045 304084.0902 63200.11448 41595.97747 116947.1157 63602.19866 214417.4064 57670.38663 17492.73172 63602.86646 98435.88766 62136.89934 128160.4146 85130.34323 19367.67259 179915.7029 390520.6534 70050.8527 81789.73654 61782.96592 617489.3731 37461.86003 371896.9524 39527.14466 81780.2196 241928.7682 45932.63461 110042.7124 130835.0664 306563.5184 46576.97947 165127.4427 32189.16438 110844.3656 95354.59717 43015.93494 23947.79267 18367.43402 12787.331 132429.4213 132448.836 117893.9644 137777.2899 133762.017 131469.9648 125145.9436 131510.3854 131122.4365 290.4322026 325.9132925 329.2978132 293.4881901 326.983445 348.3040296 TG(56:9)_M+NH3_feature3 61369.1506 95421.12625 77668.56623 108572.0652 231371.6744 137807.6173 154907.6159 216954.249 354553.0422 63492.76457 133508.5525 315160.1425 136545.7842 371445.4044 307053.6928 117772.0806 285600.14 116436.7231 157109.6133 214654.1282 158675.0187 298448.5641 84849.58614 142365.478 99453.53283 191272.3577 232210.9597 75801.40615 154242.1863 89786.22401 143791.757 584334.6958 145128.2086 476347.8297 227155.481 914882.8242 128203.0998 388526.8162 92180.41096 180356.2507 479598.0767 143943.3487 297993.5442 428186.4663 258320.0568 121437.6708 101400.6902 100177.4573 186614.4189 466297.7388 256042.5177 239007.7238 82153.63851 118871.4887 189139.4153 268198.1294 341820.1164 198052.4698 341483.1909 242401.2964 220672.1821 237889.9506 257922.9395 243.172524 238.6043442 242.3454818 330.1283539 340.2262812 328.6196034 TG(56:9)_M+NH3_feature1 349308.1244 242514.8616 130952.0784 367968.907 697729.1306 312723.5039 298298.6077 464931.3453 1233887.607 152423.0904 115477.5656 504311.8489 99942.4005 183115.658 251992.3636 138894.1156 649734.5265 233871.445 152563.2852 298327.5809 377410.8763 929357.3695 209019.677 279072.5494 135981.3552 406841.7604 258124.1764 338524.9317 230218.0396 81390.55323 475861.5352 1125397.411 284634.0804 429701.8791 234436.4418 3213886.657 229150.6899 1423407.467 155322.937 251576.1724 768939.8314 138567.6252 217409.4382 766965.888 568890.0119 87919.07832 526567.2924 69527.77745 319214.9844 284817.2611 530327.6709 419825.5924 175330.3339 192475.632 454753.2393 404003.324 318120.7955 471518.3191 324209.2376 319542.6344 447836.8678 375757.6958 448532.3886 265.3802786 265.3395061 305.9444624 232.5780704 282.6751016 294.9970293 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature3 3004084.8 2203315.123 692034.1402 3113060.727 6689001.145 2326587.734 2922796.993 3403337.808 9447149.697 1577585.731 1005164.453 3883713.415 1001060.719 1451268.448 2635884.783 1562022.146 4280280.216 1994354.258 1422832.645 2566994.422 2860396.393 6134393.95 2082619.125 1782968.446 1205129.48 3771891.445 2002107.94 2834025.493 1595198.155 692303.6143 5628944.675 9241436.694 2027183.2 3089540.009 2675023.673 29904739.37 1815381.319 13529826.49 1457408.476 3569120.949 5480879.052 1929221.552 2439068.591 5815524.608 4885702.027 896058.212 4087406.906 807722.174 2924471.222 3408230.039 3435737.32 3853531.506 690447.8307 1250848.749 3763711.982 3320741.15 3725417.445 3477319.904 3415097.286 4199791.327 3862028.415 3488194.59 3303843.825 318.4245621 311.6457111 325.0579046 340.0589662 365.9136722 362.9482974 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature5 3321743.832 2659306.438 1605085.612 3066774.903 4872851.582 3082457.923 4279835.604 4111065.593 6223229.915 2241090.582 2190575.662 4463451.454 2333933.666 4939239.95 4007036.091 2051201.873 5022735.246 2764203.959 3049295.778 3612847.51 3743238.921 4740027.57 3049038.901 2768514.351 2095556.454 5393251.178 3351705.675 3512638.858 3004931.166 1633643.466 4298120.576 10257706.7 3307939.59 3953694.583 3275125.88 15307877.81 2626679.888 8176285.268 2307507.038 4377929.416 5505955.758 2235452.513 4873896.328 5673991.181 4514928.056 2231553.918 4496741.08 2187918.89 3701875.929 4439408.119 3433716.055 3464803.355 1552705.302 1500641.493 3863180.114 3923193.522 4051694.621 4135494.792 4137170.001 4038671.961 3832499.044 4041759.445 3914489.254 270.5207288 314.786734 341.722013 254.6505035 346.0852165 350.1996164 TG(56:8)_M+NH3_feature1 41564.98063 25537.31208 18340.61639 28687.76028 44939.24482 34359.56823 23068.27434 29037.82425 58175.63685 21144.35474 16273.00705 32276.30531 12378.30757 29651.20866 30450.44794 17492.80846 30233.48281 27963.34951 17884.1234 26533.22618 20061.18338 39663.8936 26228.52264 19492.13993 23833.68594 35854.86502 26697.0238 28196.18084 26918.62409 11315.34672 42827.03779 50225.59962 35428.25174 34057.53055 32668.97365 213692.3626 23578.45508 66200.52344 17256.27556 25784.72703 41527.32414 22474.6878 31440.95077 47974.34084 35038.71834 15657.11369 33098.03124 15626.69792 29963.65825 28399.96926 32747.00946 45635.40118 17841.43324 28446.34644 25690.32296 25149.93646 25038.56884 26701.78746 22418.40235 25829.40844 28171.10366 24418.00744 24671.53078 220.0682306 203.5321777 212.0860448 269.8731215 278.4725857 296.0918209 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 3946198.909 3032096.49 1705111.726 3615646.915 5364468.06 3675481.068 3709020.455 4327498.86 6216061.491 2615295.978 3397080.176 4906379.658 2835406.52 4461427.817 4328447.945 2692541.232 5804089.653 3717198.981 3164583.262 4503178.934 3605925.465 4722950.648 2859579.623 3201696.154 2335916.831 5738359.331 4298357.712 3926978.947 3329980.11 2111505.229 4752194.568 9538044.765 3729080.235 5046123.279 3445672.631 13860358.32 3451881.501 8201123.548 2072781.834 4156086.899 6191432.776 3406505.575 4455015.049 6625681.836 5936116.897 2820911.882 5462064.885 2909573.676 4043558.117 4735135.458 3151936.388 3363449.553 1539016.405 1810959.505 4549699.002 4178304.58 4543766.194 4636445.757 4259049.081 4679228.94 4470889.1 4343250.557 4423288.96 922.2651655 1311.749344 807.6355097 645.0879439 370.1505561 434.7487827 TG(56:7)_M+NH3_feature1 2117907.337 1212404.091 786054.6025 1573985.609 3142833.362 1540616.767 1370099.368 1819885.087 3687869.71 1012577.317 749904.1136 1609174.213 536939.6796 1404229.028 1769155.252 821689.0252 2145178.836 1106834.502 1106836.022 1582632.298 1700127.365 3162600.885 1288485.21 1029768.252 918389.5251 2313346.385 1543643.316 1520335.274 1371618.726 632036.3375 2696312.799 4628001.079 1559929.067 2329487.663 1484493.929 8836943.254 1135160.024 5514679.666 921286.9883 1719884.69 2601933.598 932858.4352 1518696.584 2850844.927 2310584.187 699313.5661 2212954.232 661371.6832 1751693.486 1764825.752 1978101.494 2368847.703 755536.8737 906952.0224 1831634.354 1923801.347 1771384.736 1841799.761 1798113.2 1877789.416 1822707.343 1817967.408 1890035.086 477.4806182 443.4664738 460.8104937 627.2149495 647.9897003 689.8370671 TG(56:7)_M+NH3_feature5 16133722.54 9663794.842 3797181.19 12809418.52 23225636 9886447.258 11880295.23 12325552.24 27765342.15 6580538.793 4655312.154 11663124.92 3675018.948 6899261.855 9398350.565 5703027.375 14112706.33 7286188.055 5790400.089 10469630.45 10265836.53 18711178.21 6490426.216 5945351.923 4296844.211 13460144.01 7606030.9 10095222.34 5974334.651 2581396.456 17549226.33 38245754.8 12022426.39 14329056.23 10534422.42 76047408.8 8222242.022 39859118.57 6106581.148 14659346.99 17760264.29 5985148.265 8626241.656 19073063.8 17471368.1 3922375.31 15016530.7 3565920.71 12160842.69 13343895.4 13012620.58 12666836.79 3936902.254 4181790.591 11783493.54 13455132.99 13632197.52 13183588.35 12794260.25 12885072.16 12983364.98 12916177.01 12654152.07 302.5550897 310.3273193 325.1921979 301.3473943 298.8074737 301.1582812 TG(56:7)_M+NH3_feature3 1053272.549 576092.8321 200076.928 827698.9821 1949064.23 669745.8834 587316.4065 654720.5509 1949819.951 388437.5576 155925.8689 60667.62074 42655.60565 207703.9518 557799.8714 361371.4828 1288708.018 311638.0132 65455.8503 714460.7475 620059.7365 1806204.337 268483.9807 59861.91098 235839.774 976341.8706 404816.5478 758526.2697 425302.1725 24342.90112 1544977.175 2678935.666 673301.9698 895290.0431 71400.02715 1913197.066 355329.3235 2733805.459 298752.8047 114941.1173 1607272.638 346934.3894 700688.6415 1586730.173 1547442.406 135832.2522 1098321.764 75117.38232 846578.0212 861312.9056 847656.9229 746143.5501 211322.8531 163790.6994 832458.4486 844044.636 962284.2677 879268.3806 862485.1916 813486.0968 870596.7896 842856.3899 901182.32 257.6937635 289.5803184 309.5983124 200.1774755 262.6661561 265.1807237 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature2 4648408.2 2579486.704 1151824.636 2294056.598 5231775.942 2705926.011 1711094.991 2008409.832 3805338.786 1757224.715 1019093.876 3088880.309 833711.6224 1189813.783 2778436.537 1295473.329 4113639.433 1552376.003 1113656.343 2844087.931 2243865.827 5783704.473 1027367.778 1423451.538 1016461.513 3359965.539 1441011.976 1889206.668 1598611.11 685144.8118 6045341.907 4352064.083 2214277.006 2786507.93 1392240.427 7642834.159 1637917.001 5538331.94 1257197.488 2320472.668 4020237.995 1877563.306 1750145.048 3695702.664 3635082.552 1081923.652 4713128.262 837674.3918 3173497.184 2422429.094 2243795.864 2785661.675 716789.7706 1256265.718 3049317.391 2257441.74 3872422.327 2535175.387 2622436.177 3352978.152 2561589.898 2879319.359 3035791.833 1346.625419 1909.984075 1172.691293 772.0622534 441.8500548 517.6038822 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 22302786.71 12753095.11 6015210.928 17465237.97 32544296.38 14025981.17 14536028.49 17156880.27 33443717.03 11155701.68 7150892.159 16689980.38 5894572.66 8439690.395 14580057.19 7672007.272 19798700.15 9300224.197 7964367.385 15162037.79 17065820.39 24784255.1 8487902.54 8111762.744 7179280.877 19209915.11 10163733.02 14090627.79 10871361.07 3951510.525 25401532.15 45890404.82 15280514.72 20234608.97 12812849.81 94547407.21 13150732.55 47942141.09 8714995.907 19526793.22 27374840.49 9115116.675 11532134.35 25949239.49 28184984.88 6477878.917 23068334.79 6419381.138 16822799.07 16876604.38 13606258.51 12711278.25 5194671.788 4418544.675 17537968.75 18840014.65 17936664.9 17524997.96 17071666.44 17578233.53 16384454.39 19439523.72 18036833.4 1867.099854 1952.34287 1921.39578 1714.038834 1751.917227 1762.427763 TG(56:6)>TG(18:0_16:0_22:6)_M+NH3_feature5 1360697.439 1053052.115 585052.1461 1229765.193 1835370.662 1144988.565 1264568.997 1332709.345 2229516.408 815659.4011 952120.5932 1497163.448 878483.4303 1287406.378 1205529.42 777344.7886 2354706.653 1137216.565 1075058.359 1373956.207 1168054.671 1603715.851 967407.9878 945983.8413 763771.1463 1848121.542 1393473.302 1388056.921 1122852.043 332162.7975 1675657.531 4350440.123 1142074.241 1599892.771 1093990.15 5465546.065 1084787.255 3240680.629 735584.0135 1533015.78 1681534.774 951533.5001 1412696.175 2201532.716 1824304.286 827689.7725 1729858.576 673080.4704 1381776.28 1650998.492 1078995.825 1127542.433 534964.3644 536339.8481 1542776.507 1487367.364 1521702.838 1597961.005 1468287.022 1513518.984 1486712.586 1507607.366 1569103.16 469.5955216 454.3380037 499.1133086 477.2489056 461.063494 484.4274535 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature2 1144446.472 183346.1345 492309.9411 607231.2877 169054.2123 181735.0025 853400.9371 968394.6379 1438817.278 329178.3526 658474.3037 957861.6783 435990.7108 694963.056 966703.895 408667.1354 1408343.291 557275.6283 688948.4139 660638.6822 1184543.343 310673.9245 449703.1975 509146.9598 401117.6415 1189544.479 585422.8937 858285.246 966659.6095 290000.8907 834988.5993 2288773.363 926569.4297 1747800.954 919638.2795 847077.5003 560820.7826 180021.2766 507960.6518 1614656.637 1350124.049 338302.106 1209083.757 1380284.399 718179.8593 399595.8644 1526240.138 409391.1519 1206266.854 994161.2504 640673.8361 530074.9102 256327.4181 241212.6689 1090582.359 863449.2059 1087465.693 897559.9256 1247252.904 625475.1175 863741.069 1285664.656 973898.3325 275.8240178 292.1339464 289.3161293 280.6842426 268.3536889 289.5043939 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature3 5870289.215 5857024.032 5217151.898 8564329.85 11379948.63 7537957.408 4000625.314 4952195.948 7139140.29 2971534.625 3392776.872 4982129.369 2960939.082 2160213.933 6511055.885 5001879.874 7170747.442 3152302.664 3087509.753 5761061.579 4873634.057 8929319.707 3169304.895 2713578.221 2847775.582 5457528.196 3315861.76 4035840.14 4942275.008 1637424.456 7790907.755 11982984.29 5859322.857 5729732.595 3980442.795 14533347.85 3246225.541 13965549.95 2601723.109 5486672.402 7539921.174 3356655.424 4278325.072 7330217.653 8507400.638 2222974.784 6640210.507 2077581.31 5095752.894 5360255.345 5825436.432 6689714.345 3252830.239 3489635.12 5064323.76 5663148.17 5476368.72 6806565.219 6296855.795 5733422.649 5470592.652 5170169.392 5686733.996 413.3302156 400.4432479 418.2182457 415.1609315 422.901192 442.2268859 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 5010371.579 3650056.232 2509436.529 4617748.36 7353412.566 4156012.906 5278704.608 5346343.349 7683410.235 3146059.886 2977240.673 5422737.552 2851491.283 4899276.166 4492438.128 2540981.083 5929167.338 3523591.505 3376634.207 4331253.432 3937768.236 4753361.641 3641683.908 3230726.499 2679200.714 5758447.191 3822418.562 4554708.69 3396239.756 1912575.723 6128350.699 13114916.55 4299019.19 6477145.321 4117450.685 17856555.51 4249737.483 12305056.51 3394675.639 5581276.09 5811899.566 2991890.551 4805587.922 7593062.097 5849180.707 2674385.701 6487378.214 2871141.016 5246685.671 6293043.304 4221918.548 4825480.451 1981044.763 1987051.474 5304144.141 5499741.002 5406502.381 4934265.37 5187382.394 5956594.308 5089542.832 5280977.515 5374680.193 393.0587504 400.6951829 421.3803462 412.9362289 439.0220234 432.949382 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature4 12045758.75 12652551.75 7840230.597 14726138.14 24971144.88 13235553.9 7250931.163 9508216.42 16073450.45 8213274.78 7223094.89 10838140.12 6510332.98 5601434.914 12526718.77 9197198.877 17001089.43 8298403.926 7301438.673 12531532.33 8832636.853 15749873.49 7388417.896 5344220.65 4392281.99 7974063.974 4691403.818 11473749.33 9458687.111 4098397.781 14539418.22 13698895.02 9450253.491 12068662.54 9039167.758 18722039.39 6087961.851 13420893.46 7837258.678 12048417.47 9995358.922 7669056.694 9295525.624 15734771.65 15119115.09 5911042.383 13353274.7 4675022.167 11070081.4 11682123.82 9096156.301 12417313.58 5357750.765 5601926.917 12393421.51 13380330.91 11770321.25 12053809.36 12469276.77 13009776.1 12087916.22 12549251.16 12662396.69 333.6611278 358.140502 361.402647 352.4377331 344.8721195 347.6548023 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature2 1980787.678 824287.3239 1737078.595 2745313 3029099.749 995625.4327 2003970.555 1964865.121 2596769.597 1514740.748 703942.1786 1595185.695 975526.6818 1601692.676 2003991.433 902318.2196 2928558.63 1720208.664 1495011.399 2375168.806 1758395.222 2399796.441 1426654.669 1276333.618 1274607.538 2139239.694 1422825.57 2005797.807 1669471.529 937855.1052 1977368.121 4348760.86 1868559.878 2197393.396 1992122.11 4599047.054 1507381.098 3766427.034 1561748.367 2553504.593 2112164.412 1481879.301 1627070.718 2805439.024 2750275.267 1153219.698 1339749.615 805475.463 1872527.681 2417515.375 2563788.124 2653921.186 1524470.566 1678753.968 2188838.412 2404628.146 2493931.861 2848070.044 1687457.582 2389834.797 2273756.812 2376100.074 2480534.768 500.713395 465.6746834 469.2292799 619.4109454 648.5760567 1133.597171 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature5 2040151.433 485256.529 324164.5179 183341.6389 187522.7002 238091.1461 371900.8587 329895.4764 263019.725 187816.2172 215308.4202 134448.7968 223204.8558 487577.5943 255050.1698 171651.6621 243777.7395 156923.5648 186568.8791 305946.211 98145.75099 234074.9652 557746.2895 240146.1516 272676.4948 116110.7887 930327.8158 143417.9377 1065376.105 233297.5127 169882.2868 5393235.878 215045.51 168065.472 180734.6923 6317000.833 282037.3752 9223749.663 337032.8694 479340.4847 280895.7794 166303.2838 176973.4566 209456.8274 316952.7944 281881.4214 101995.5303 359361.0637 339832.9357 702358.126 316714.1295 140395.9639 243957.2903 194343.8706 224203.6231 107277.1508 202331.1655 238494.4968 214513.9012 202824.883 215877.1956 214720.658 162235.1108 352.8629445 350.3169161 342.7311967 198.8856603 203.6374232 212.4463106 TG(56:3)>TG(18:1_18:1_20:1)_and_TG(18:1_18:2_20:0)_and_TG(18:0_18:2_20:1)_and_TG(16:0_18:1_22:2)_M+NH3_feature3 18495062.72 12274302.15 8714351.432 12848680.57 30287969.06 16985128.15 8077086.687 8678379.759 17355663.79 9704002.325 7403705.029 14675127.85 7602979.392 5553937.151 12387825.71 11508020.94 19494347.48 10542960.49 6241028.517 15412869.4 10336167.49 17903752.98 6627797.175 4467481.21 7332685.705 14025440.56 8945628.79 16875300.32 9555104.62 2980008.81 21118544.2 25310880.61 9394437.831 11187273.09 9845032.262 37419588.77 7736060.302 30510700.24 8783031.312 11282808.83 26109354.58 8724023.122 14616634.19 18109837.69 25939126.07 6482250.773 17671966.45 4841149.702 15889706.24 13999015.87 8873974.665 10189035.76 5093772.594 4264860.016 12792547.32 15710759.5 11959428.49 14344440.82 15903783.93 14465637.17 13716942.56 13442585.14 13540779.46 1234.184757 640.0614476 592.0675923 689.566337 607.0063848 596.724738 TG(56:2)_M+NH3_feature2 9707946.976 7080014.867 4452197.134 7053653.808 9756628.955 7775137.388 4154834.427 3621801.202 7491127.967 3978129.596 2921092.426 4250374.344 3255602.942 2097107.636 4711397.204 3569904.145 8936769.796 2499270.965 2557373.77 4898941.883 4144475.086 10009940.17 3115386.891 1448716.897 3399771.207 5949440.236 2193563.337 4672689.37 3755456.176 806380.4176 8918244.27 12229375.37 3147972.241 5268761.42 3824058.469 19910312.9 2110045.734 15042422.29 1831206.226 4148227.953 8299399.652 2889281.243 5295216.407 6651750.117 11114441.41 2330248.451 5810593.108 1759788.975 6121480.21 5776740.561 3433997.171 3600399.984 1300872.682 1853840.088 5561651.211 6025101.061 6835724.879 5235367.087 5753502.973 7670593.558 5766005.802 6313023.669 4950071.221 260.8269394 550.5901686 249.7433672 376.8904917 396.7503163 426.5334353 TG(56:10)>TG(18:2_18:3_20:5)_M+NH3_feature1 36920.65695 21511.56145 23524.33795 41574.67399 43117.04415 35321.21092 36572.90858 47961.5115 95337.65503 22717.12643 20634.60434 57110.02044 27279.58596 54549.58833 21468.12725 52248.08348 58337.44131 19470.11759 20830.03706 45030.50109 55206.3483 129697.6484 53522.17516 30316.35285 25541.10888 28979.97096 43219.63486 47566.0353 43492.75829 33763.53479 64174.46402 91185.92486 37045.16085 42548.48715 24751.28442 237743.5719 31585.1152 111461.7336 32928.65202 47465.6728 89347.36808 36952.0594 49560.25061 56728.918 58411.83202 26409.66451 74149.17544 29773.16617 41244.55802 20846.70331 69370.46686 47698.80504 28313.47838 18588.29698 58983.84568 56651.03806 53519.03697 47803.10517 43065.92343 54062.10368 46950.9677 55710.51937 58348.18476 428.6672711 404.0689256 395.9716564 251.3844344 232.3725676 242.0986955 TG(56:1)_M+NH3_feature2 1321806.497 853063.5894 602686.5416 1338094.304 1904227.562 1150410.778 683839.1382 828740.2364 1602085.435 611683.1607 451188.9294 1003732.968 572290.5422 517014.4892 838013.9968 875459.5445 2643513.04 646562.5873 449002.0503 988912.976 249296.9109 1894231.968 567902.0908 296892.753 631256.0859 890346.8818 626901.8896 1182814.623 859732.4339 179578.1644 1607816.983 3318107.822 627790.8169 709353.8981 572076.5564 4162350.248 380016.4795 2988592.011 364817.1262 844543.3877 1928654.44 581174.5286 1010059.085 1183617.493 2329893.617 468373.0699 1328131.667 365772.4229 1079845.233 876760.6483 440080.141 396845.9365 215656.9235 185626.4239 1162128.209 903012.705 1234503.688 1205523.212 1154926.427 1121898.255 1164669.904 1131589.308 1036572.266 249.9875261 248.9217123 277.7895078 234.9520414 250.1699927 254.196324 TG(56:1)_M+NH3_feature1 1210714.183 1059276 555783.5837 1139635.593 2119175.976 1126569.915 698617.8598 819335.5839 1423731.806 681546.5081 527377.967 909495.3009 514025.2109 278334.2139 777571.5682 635456.1747 1552321.418 634463.4303 361326.7483 868660.8563 715055.7395 1477264.472 470921.3765 283730.9294 507049.671 361663.7343 411294.6603 935341.4709 559513.8056 175054.9875 1404072.707 2147278.92 809749.3269 992675.9047 642834.2532 3121373.352 332828.7642 2045578.182 364972.3864 877731.7471 1298057.707 540291.0295 763529.509 1141949.889 1572805.915 320228.2578 1121790.131 298747.7103 1005049.661 950482.3305 759299.8868 642062.0495 270299.3552 246041.4013 987343.5513 1027474.814 1013677.694 980319.4399 970814.353 1037476.867 1031635.567 1056791.337 934523.2053 159.0332541 181.5711773 164.6082562 228.1382936 242.8622841 257.1431231 TG(55:7)_M+NH3_feature2 149923.766 121697.8633 37691.33877 148221.0261 155357.4049 138122.7418 84414.96305 173078.7464 374302.3819 94319.19794 54499.3124 133381.4623 49692.25767 45652.93312 70900.90377 78322.23863 206958.4568 105670.6146 74483.94405 114544.8434 148738.806 319942.8915 106950.2997 87534.46804 67047.44534 206847.0806 66627.32457 161627.1104 90257.74455 33685.96301 241889.0633 500293.2769 156685.5329 220978.9603 152742.4385 942346.8117 115947.2483 520711.9732 76690.40468 152553.407 251210.8367 93297.16685 114063.8208 271439.8214 214713.3309 30891.17775 216929.883 49340.39902 153175.437 185912.1677 168046.5043 205439.0133 53020.79436 68891.23684 156509.3333 184347.2462 107808.5393 185350.9542 173524.732 187661.0943 126485.599 202272.5035 132382.6103 480.2418934 542.2622055 582.5349673 533.307223 703.3106615 731.3011772 TG(55:6)_M+NH3_feature1 189399.2864 128935.2501 75375.26339 220823.8416 298689.4875 217571.838 114927.4809 112925.0514 458056.998 137307.677 60134.62156 124785.8876 45594.91714 63907.67905 205181.6354 55784.90157 155291.5783 123136.2181 81918.09975 119804.8288 93060.65674 436313.3412 71941.91505 67933.22486 66025.72809 150444.1965 83097.72963 141605.3856 94569.46248 48214.9749 247286.09 532520.7252 140296.0026 191458.0625 112623.5885 1039137.051 87387.68979 694076.1479 113824.0994 143677.2883 313887.8373 105295.7085 105026.9233 312791.9003 288025.1869 35724.09569 228142.7956 75829.35613 147279.9188 146563.1225 147399.3775 153837.455 43712.87214 43154.42288 134822.6837 136977.9248 161461.6147 187839.0339 142789.7655 146810.6619 153276.1659 149243.9818 139362.9543 628.7043213 645.0711292 676.1972181 636.8027088 642.9190544 646.5432273 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature3 218349.7972 147902.2499 95119.40732 178375.3299 239204.8492 136061.7895 157882.4856 188340.6564 292603.3828 100296.5278 61486.07794 185300.3149 97789.54836 141682.914 141954.7892 93813.4245 207236.8404 139323.1599 110970.7901 168251.9212 156241.7568 204442.2492 143854.9481 112677.6624 85984.06575 190339.208 132089.7581 185730.2616 108064.1385 61880.00644 233821.635 359253.0396 163156.2106 256538.8537 202085.9297 557766.8409 134283.0317 391787.7469 117079.2783 188810.9475 219657.943 113160.4656 152887.2845 267167.1295 223258.6333 96158.51993 203807.6218 98318.28355 175751.9392 176915.3597 162946.9439 210168.933 78763.79215 85726.6583 177560.3385 228914.106 183422.7822 202199.7382 221582.4433 203005.5044 187200.1121 193642.6188 202793.6832 336.9752477 312.8503827 318.0578879 338.0109902 373.1014438 375.0857431 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature1 228888.1049 113460.7889 66138.87654 115708.5069 188424.4632 149148.7676 65572.14647 130809.6056 253677.8315 67863.51594 22685.30455 137936.2809 17544.3777 24540.92433 115449.1874 48595.04746 154125.4349 57510.79118 37432.15566 64275.79029 67627.50911 301880.5965 42271.992 31214.55069 85030.8489 83680.85417 76992.94692 143860.4008 62598.01683 11967.04824 246757.0975 209512.9264 168716.6379 176229.747 123692.9385 185836.4738 106744.4854 228018.3047 64605.86722 125643.981 259796.9976 53158.27054 78270.25214 251613.7626 236302.3101 25110.73236 199551.0186 52068.3378 139893.5697 98381.58132 144530.4832 122032.3869 31022.11959 36166.95019 135037.7034 154773.4396 142626.4945 154333.5117 145027.1182 103076.1118 102996.3797 173609.88 170755.5674 215.2608438 230.0232503 232.6893196 409.6146799 426.5060256 449.2475168 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature2 1481318.362 959906.0205 357870.7325 1114176.019 3006644.492 1306127.772 699786.4216 949714.9018 1897615.877 582293.4062 331728.3909 875158.7229 213050.3525 269007.1453 728674.6292 495282.0053 1067103.888 448399.2353 401635.1972 843714.0151 740858.58 2273820.704 465875.1369 347312.1871 475212.4999 1026359.508 534807.9772 887256.3476 592104.9365 101308.2567 1679608.583 2513412.349 1041294.812 1331001.54 698783.3087 4955216.702 596561.2622 3524813.369 540025.074 1011299.491 1892275.227 468769.8189 755033.1877 1593734.493 1676671.328 274450.7256 1336175.079 236735.4512 957305.4329 1032678.996 945320.8503 977638.3321 285060.6781 290728.7789 1022386.494 1110309.198 1168957.752 1167863.311 1057209.785 1120895.726 1090083.209 1100993.934 1082904.235 332.1595754 348.1112216 343.3687957 365.6978588 353.7814877 378.2888908 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 4668070.761 2657095.425 1338207.41 2614489.557 9101216.269 3374567.64 1440443.238 2313567.468 5315045.624 1383668.051 570074.851 1736346.252 471503.6089 563134.5247 1915317.397 973058.0727 3266782.901 1350335.054 734870.33 1699325.586 2546085.419 6634974.103 1026604.811 794349.7451 1124005.973 2397077.915 1239077.261 2217764.322 1223348.527 205685.8517 4925074.002 5895870.229 2341502.984 3141138.922 1912835.074 12409044.34 1446667.6 10025867.46 946456.3458 2707743.434 4752976.399 1357988.413 2085186.293 3963808.743 5304988.205 516438.2113 3829638.023 527926.7837 3007064.341 2323839.043 1646453.261 2629479.809 426760.7158 492229.7244 2375892.481 3382692.624 3846059.103 2619745.958 2721258.153 2466813.439 2585577.367 3509883.055 3091276.342 303.4768148 317.959059 326.514661 341.7852173 330.2252175 357.8199346 TG(55:3)_feature3 4983201.892 3998347.584 2743371.461 4191829.984 9231212.537 5377007.891 2819431.508 3103463.237 5998668.078 2528461.89 1540981.721 3149842.039 1303452.787 1067341.609 2827403.933 2336025.154 4797082.036 838927.794 1179158.295 3477342.801 2959444.414 6416076.586 1983969.225 1368096.851 1511391.198 3574052.436 2201772.55 3315346.044 2588380.111 550744.4171 4767104.239 6073884.674 3301657.746 3752634.079 2416231.164 13145950.04 2115683.684 6286261.215 1800219.066 3208505.105 5982601.971 2086698.834 2655770.366 5143912.038 5988229.49 1024264.01 4451988.152 1313945.65 3822492.653 1767801.606 3224160.907 3432683.272 1142886.384 1312394.051 3872433.362 3675987.542 3792404.122 3868732.335 3608086.519 3647529.912 3912310.338 4134376.301 3519947.928 287.4937154 301.3232578 293.8971529 320.0052818 315.824562 337.5433818 TG(55:3)>TG(18:1_18:1_19:1)_and_TG(18:1_18:2_19:0)_M+NH3_feature3 1085776.496 760007.1836 398030.7368 834173.2303 1514607.487 1222956.696 655793.8126 684348.082 1191326.935 661318.6671 179096.5355 385757.8217 192512.3064 178122.1529 463297.2438 416094.736 754778.8494 441988.7602 201982.4293 694006.1244 626749.4821 1144279.977 449306.9667 211486.404 402523.4857 661815.8645 350496.6466 611975.9825 413887.8961 92526.9633 1020811.233 1047973.709 850771.3866 848722.1792 623986.1348 1596834 469190.032 1783195.264 453104.2025 682733.0161 1225874.046 392859.9356 596881.1961 1046970.66 1153424.034 204132.7288 885977.3794 238593.9381 735173.6671 505021.2834 819621.5257 895029.9173 244037.584 256961.9277 854085.9461 767618.8437 744968.4384 934616.952 775827.9092 833925.6183 523319.1418 923862.1097 926674.1476 371.6320734 390.9172179 401.7474771 757.3269763 756.7857336 822.9279029 TG(55:2)_M+NH3_feature1 3253406.777 2555613.081 1679736.9 2966955.126 6288742.396 3122230.729 1711435.584 2070754.618 3619148.649 1583403.689 1022072.44 1860639.533 1014655.599 741976.1366 1761705.114 1652087.467 3326225.141 1206277.383 868388.3283 1941350.16 1682498.105 4267925.289 1316526.922 799628.4532 1304093.53 2151066.364 1226137.962 2242280.371 1496740.484 338327.4239 3337247.926 5380111.717 1910491.841 2130730.79 1459083.373 8332369.68 1105773.415 6876580.552 1239805.022 2523256.688 3998823.335 1211410.885 1987602.445 2908889.26 3590691.927 893889.7533 2708715.829 681313.24 2277931.971 2180985.131 1718729.465 1694618.604 622893.2511 687692.9523 2358571.627 2457858.921 2429690.898 2484409.747 2419466.125 2595428.763 2269272.678 2555868.344 2345513.485 834.2518181 837.3733181 863.7689914 814.4494818 817.337179 829.0784837 TG(55:1)>TG(18:0_18:1_19:0)_and_TG(16:0_18:1_21:0)_M+NH3_feature1 835595.6765 722281.8785 352922.8275 845509.7835 1126507.904 754989.4328 423865.5298 460302.9157 966022.0547 326257.5155 201772.5079 373968.0279 233119.2902 124943.6611 273162.3137 203706.3626 971843.4925 238824.2434 88845.93423 427310.1624 367578.9174 1172499.067 185371.6382 98704.51843 288726.8155 425619.8656 134081.2244 405118.5607 315901.5625 70951.53788 1020490.525 1745131.116 436331.2878 506967.6214 318083.4669 2838485.853 230786.7237 2142080.15 226358.0504 519685.968 939990.0851 159289.1934 383119.1651 525620.8041 1047508.707 153843.4533 571526.568 128132.0925 479146.9408 432547.139 367675.4044 349864.12 128429.5957 123380.98 592821.0767 611591.1044 567489.2411 538314.7172 603955.4023 609735.5751 619028.8005 586178.2626 564411.335 354.9808725 382.236651 366.9587606 314.7364905 343.1311246 360.245192 TG(54:8)_M+NH3_feature1 340931.8862 188847.1125 124573.571 321335.6331 514357.7666 326165.107 221906.5713 315329.0789 924675.2921 166460.0589 151079.4128 476220.7822 153911.943 181612.0819 261877.7427 175803.4464 432407.5986 249858.3489 221700.4766 346347.3399 361974.2881 885447.019 314096.6695 224723.2193 288543.5863 425366.2696 388086.0717 336220.9878 381446.3632 114337.5659 589225.9248 598126.147 307117.7485 478585.5928 167032.6167 1866632.82 170533.2631 1069109.063 198619.4958 297467.7871 898695.7688 206257.2095 295108.4125 615435.8596 589973.4071 125256.7355 576952.3258 143929.4045 319357.9563 282094.3772 515006.6167 322588.0298 244314.9051 199616.3343 386133.3341 342686.458 322554.7589 343670.4228 383263.5503 358049.4748 375662.8568 369391.4129 331651.0496 842.2542573 856.1863299 836.4964516 640.3437653 630.9620149 696.8203303 TG(54:8)_M+NH3_feature2 117403.1833 67119.19914 39515.31721 52970.48176 115786.873 76639.2998 76974.36352 119074.7889 215986.0759 57733.0661 72853.4197 183670.5212 71555.71418 182649.4459 134434.8015 59080.38287 217454.569 91109.53947 78940.91947 119762.5448 103828.3029 246238.6444 81145.5662 71441.80115 47830.05132 197299.0618 123662.2877 127823.782 69171.71517 51527.93959 185534.7485 464761.6093 86973.8114 146391.7173 93476.4269 791263.0807 73541.70573 340446.7809 47494.3765 109030.8481 225824.3918 83207.83998 156165.4891 284865.8298 148093.5692 64150.53293 192113.9449 53931.38694 123038.3592 135772.1131 5463.661637 131542.6394 29804.14473 56101.00598 116231.4816 118942.0928 146589.8034 120028.4362 127258.777 115345.5774 122891.4307 118118.2916 130594.2591 251.5760221 251.4164754 260.7773276 294.2352473 301.7380582 311.6865922 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature2 4432.339766 3451.416901 952.3887748 1320.525286 4676.529689 1695.971684 1587.903138 2788.518335 4711.017068 903.7844978 1661.499772 3868.911955 2111.322265 2396.759204 2642.325964 1111.957975 10825.82019 1998.369294 1416.168327 4410.751979 2762.152302 5399.112735 2199.370961 1383.899285 1222.362392 5231.897285 4028.261753 3552.573182 2110.267419 830.4977461 5727.520101 13862.53142 4928.966758 5445.078914 2782.303722 19483.4001 2900.268267 4864.84816 1062.854259 2361.637466 10782.38849 1200.463285 2322.733838 3820.633553 3622.535228 1305.828379 5388.529864 1746.877946 2866.131167 1963.811114 4412.906212 2157.353948 1514.595137 1181.83588 3258.632659 2444.098418 2926.466771 2640.04873 3689.51118 2932.053337 3022.054654 2088.907422 3336.813197 107.0159518 103.6041232 104.8198784 88.5553634 91.71786179 100.2284287 TG(54:7)>TG(18:2_18:2_18:3)_feature3 8324546.931 3699799.535 1879531.41 4512633.004 11946901.95 4772039.54 3330611.37 5089146.77 12649198.64 3293870.632 1559533.363 5349674.486 1148038.383 1660270.83 3580654.919 2481310.205 5387569.348 2887146.409 2503310.138 4288010.304 4921681.687 15432309.81 3208570.834 2511638.869 3136944.565 6032253.761 2613099.005 5732470.812 3726699.38 832551.7343 10886544.41 13767039.93 5746408.868 7468991.466 3592289.004 32469143.59 3059166.948 21400650.74 2474079.483 4050420.848 11767702.37 2572283.25 3891008.673 9202426.246 8679505.092 1488598.124 7838578.28 1379889.153 4714958.511 5303647.794 5990580.884 6774926.552 2034625.245 2353911.68 5623716.404 5691773.893 5458541.222 5311959.491 5506911.639 5440163.127 5645316.946 5617454.745 5564536.432 1299.055199 1218.676467 1322.089838 1288.869279 1323.232691 1405.664455 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature1 24380.65986 13125.75016 11936.58223 18136.41502 22891.21562 19099.36225 22444.34384 28410.09168 47431.16599 14550.88591 22638.20393 41487.46373 26862.0816 70625.6643 30348.04878 19272.93465 42852.89588 22619.98919 20983.32339 21847.11318 26223.8297 38407.79469 21393.83141 17908.45739 12382.46123 45097.40538 32130.25704 32915.873 23296.54542 18295.24708 33155.7903 66609.52054 20197.8606 30176.10208 17088.61515 90272.02242 18849.16961 46617.71852 14257.57529 27292.80697 51124.66084 17925.11279 48903.34544 51334.9194 38407.74103 21965.49897 40455.68892 22541.81636 35856.57604 27591.42093 20922.82085 26744.4064 10446.20019 13628.00782 32033.31562 34478.59737 26759.92054 30815.47785 26503.76077 31357.56802 28066.73593 31621.50387 32435.82316 454.713727 463.6338667 492.9899971 570.252286 671.1232936 709.0497821 TG(54:7)>TG(16:0_16:1_22:6)_and_TG(16:0_18:2_20:5)_M+NH3_feature4 2110866.457 887626.6196 539415.1005 1158382.701 1964487.282 1087098.49 1382167.401 1792799.63 3375200.089 978874.4279 850156.896 2772055.417 476571.2521 866760.1907 1435808.456 1079407.457 2678507.509 1358294.907 1126307.046 1488393.652 1906852.006 2994445.646 1175725.666 414345.293 892271.9816 2251567.217 1458965.232 1965516.197 1233611.719 474836.0833 2448254.544 4169379.208 1617763.031 2142465.103 1310068.379 6844808.668 1165548.262 3185153.549 724000.2415 1348218.03 3047876.975 1155014.164 1767220.724 2815797.661 2339654.253 848535.0775 2564749.441 666596.2038 1669257.351 1848941.578 1333052.29 1396845.667 537254.2466 579330.0608 1805440.841 1764958.032 1760937.484 1826462.903 1677075.013 1765613.453 1829270.047 1818997.869 1744266.924 333.1641378 317.3449084 332.7760262 342.9131529 358.9485909 359.0182082 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 68786125.85 28062728.4 20114885.24 47236961.55 79756394.49 54489587.38 30464370.3 39159933.7 90196966.88 27630285.87 10122121.91 38186047.8 9879639.976 10375026.33 27884664.15 20504704.9 43091497.27 18387423.88 18140166.75 31724144.17 38161393.35 116911865.4 27782513.73 17883400.76 22580526.62 43703052.72 22982307.86 40731261.12 29904119.81 5926507.684 83222351.43 102608771.5 49528562.15 57977857.19 32302224.84 198504250.3 26756717.65 140737869 23470093.79 31915564.07 85830882.71 21720161.65 32573281.66 67878888.69 75544750.22 12012867.64 51342212.6 12513625.6 39807412.56 42712541.96 51674627.18 50705767.24 17664638.6 18124235.87 50659972.56 48617242.02 49984773.31 49325977.12 47104869.97 45852246.15 49481382.11 53422868.88 48377957.11 398.3567403 448.6992036 480.8390161 362.1585739 473.7456078 491.0227012 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 14121225.25 6928647.861 3420272.578 9198052.045 16089334.98 7378313.519 10029327.7 11137616.39 23303322.51 6057943.944 4672283.183 10701294.17 3586973.298 7399840.973 7712894.982 5028123.78 12862526.92 7111595.876 5500457.867 8699300.685 8938393.086 12766364.37 5991233.309 5456382.426 4360952.398 11321304.46 7332172.207 9819595.813 4663845.942 2546250.964 14013159.15 30618030.26 10458393.48 13176252.56 9352767.07 51881425.91 8377253.505 27291178.15 5312167.506 11843743.83 16135861.9 5739546.665 8432265.22 15662675.82 9163472.944 4052725.816 12677039.3 3636497.168 6960157.9 11543186.37 9435383.463 10265569.1 3210603.984 3488209.306 10348429.74 10577910.91 10851319.01 10951519.63 10210051.23 10882706.91 9736178.944 10419091.01 11126091.42 273.1856374 373.7267532 294.3635546 289.7222044 296.397568 299.1006093 TG(54:6)>TG(16:0_16:0_22:6)_M+NH6_feature6 4275288.842 2958695.941 2110788.698 3338792.942 4456761.244 3622317.27 4779996.898 5503969.703 6964407.926 3672536.217 3920254.293 5801749.891 3196118.725 4456393.739 4042883.764 3066313.939 5592015.138 4414659.575 4377873.288 4237223.193 4538934.773 5125744.245 4125596.781 4359407.686 3543261.14 5706819.089 5206677.947 4330706.141 4649424.82 2313426.781 6124327.638 8376191.453 4259210.015 5663312.913 4268974.223 11589481.12 4777420.331 6856831.317 2751520.66 5181888.728 6421973.505 4078987.098 4342760.084 6119708.34 4924158.338 3138477.269 5898398.292 2818108.507 3996547.093 4677287.447 3503678.439 3448285.083 2454481.528 2591955.517 4886418.732 4713853.269 5073927.906 4955566.803 4514951.913 4777680.767 4810120.711 5031935.8 4841213.343 544.8982295 666.4526365 529.1122009 383.4276857 292.1548928 311.9296313 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 20348642.17 8387521.796 3841268.9 10361482.31 274345.8227 8791234.108 12212829.24 15588242.71 30470677.26 8344429.124 7492970.978 16832831.12 5943427.126 10694142.19 10600495.53 6596417.089 16795579.95 10082967.22 8090367.771 10832657.08 13633034.7 17360275.74 7368221.976 8037265.124 6352435.676 16257298.7 9666031.462 13709242.84 7814320.297 3295378.231 21675783.14 34002778.98 14852113.67 18501456.47 11974412.53 58827099.66 10578906.8 29694087.08 6656119.204 15250323.93 21055428.1 9185659.463 13700065.24 21692442.94 19636370.25 6601469.841 18516548.2 6444508.986 13943429.55 13778542.83 9228349.866 9377907.999 3707429.927 3417934.937 13397667.77 15674161.09 15352855.44 12965872.95 15885930.07 15444908.65 13426599.65 16079562.16 13546817.14 271.1323432 287.3789384 284.8194077 294.4452146 281.8041314 304.3329199 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 163140114.2 125086375.6 73727916.15 131788154.4 233244352.6 152475877 98317307.66 112133124.3 199863683 93257926.52 41988384.84 97144312.44 37208778.81 39279010.58 92606389.12 71001496.16 113132475.2 70881427.23 60833566.68 86027455.52 107911377.7 223597073.7 71427213.96 56000944.46 72005592.57 115055296.4 74215969.51 103606607.2 80299854.56 23776711.5 175183735.7 198639682 118814565.4 141679039.3 96273218.11 329378004.4 89393541.9 272653423 69593765.8 109145903.3 178208503.5 73043687.63 95872799.8 167429180.6 174906729.4 46452120.43 141623476.7 47442620.23 115784161.3 120683722.3 122368207.1 125637932.5 48073694.41 57309303.05 131129519.9 124940858.8 128709171.5 127201836.2 128500100 129498962.6 128044077.9 126943496.2 129117292.6 3862.17793 1697.037183 1264.435349 1299.712886 1558.614338 576.9651109 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature3 1671017.11 780422.9646 341570.6833 1037752.625 1854083.076 825682.6771 1192354.495 1329643.367 2882155.723 660828.2534 507202.3975 1217911.709 372069.2427 820953.4225 897896.065 593511.92 1554691.162 797090.7264 591320.1365 1004830.419 1057587.841 1701677.419 650422.0207 631123.6115 471875.9243 1322056.641 837067.4364 936614.8137 566373.7653 268216.9465 1620226.825 3947976.685 1294821.188 1548417.022 1040358.07 7307923.479 887479.9114 3300589.958 604976.9511 1469924.037 1937006.659 647872.0712 939505.3982 1841881.443 1695580.719 429915.7269 1675657.184 394039.4258 1277071.491 1318766.897 1103435.572 1155043.793 356693.9966 369773.1513 1220436.626 1312645.289 1253535.51 1295709.611 1291862.956 1276101.904 1279390.372 1254698.116 1256140.267 223.7716815 305.8368795 240.6620281 220.8372156 225.7064493 223.0470318 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature4 163050240.8 124650254.6 110698878.2 186920577.6 229579118.7 196404023.4 99554104.97 104585119.1 173498931.7 880328.2696 71433908.82 74220702.77 66152799.8 62115229.68 139016211.6 34252060.42 115140282.7 101866427.6 94587034.16 146496672.4 140407442.6 190423323.9 99149636.39 83868626.18 89600088.79 161352160 106779111.2 94231259.34 121338322.9 40817415.52 154911098.8 154147873 113575093.2 165846059.4 124818281.2 250213455.1 112867873.3 221529794.7 97144144.73 109668251.4 229521144.6 71619594.08 144114204.2 216125681.2 209144311.7 73514159.35 154305738.6 84344932.1 148397841.9 146538746.2 110201516.6 126970478.2 19221349.99 78072152.09 147115629.2 149245338.1 129580317.4 178835858.9 162977263.5 84889660.37 165217190.9 166041560.2 141664538.1 3599.831455 747.7590071 693.2469798 3049.331144 813.9801397 1484.289535 TG(54:4)_M+NH3_feature6 2194020.381 1121503.328 779223.7243 1169528.849 2091504.243 1422675.902 2346589.476 1521562.366 3151385.658 955733.6111 1472279.164 1373418.345 1480873.303 3111387.957 1486161.134 797806.7845 2025898.119 1188916.594 1942545.566 1160159.466 1295030.071 1770086.736 1102607.638 1587607.159 871962.1518 1483819.535 1960470.76 1124083.077 916868.7432 1281050.824 1576495.216 3788761.369 1260600.534 1658692.273 1262162.648 3081352.664 1947796.448 3800843.658 1644487.172 1557269.188 1968343.31 972847.9391 2175442.913 2324916.803 2035686.705 1430939.203 727573.047 944769.2051 1530511.518 1533137.538 1177056.387 2006267.707 1108022.003 800788.8412 1355298.359 1352139.063 1433416.207 1344519.642 2134961.07 2007924.835 1338110.224 1254975.679 1230961.873 399.0402287 406.6947744 432.3536267 440.4273799 449.7502183 443.7875769 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature5 1051424.019 355825.3204 213957.8533 298281.3191 926064.0526 353994.5359 112064.2107 347952.3395 710842.5169 610034.8002 287237.2808 1194049.926 207348.3327 117511.9957 612601.9656 719047.8585 627502.2114 636115.6016 386869.7008 552073.3632 999461.6327 1199206.538 242910.7251 290220.7226 736969.7788 876402.5405 326535.6346 1097430.01 814739.553 99706.20292 1185309.474 447947.7946 918935.7118 659983.6973 528840.406 620427.988 641476.8131 903816.455 340417.8124 238516.534 1425504.996 1227732.038 1183480.572 1126477.245 1102308.303 735792.9313 1438904.009 683435.3651 1046378.224 1048750.291 324555.4599 315378.9576 142058.0673 130450.1523 700247.6399 778524.4988 902693.5494 653453.9674 681509.2663 737918.6459 766767.6598 785261.7273 758857.4066 81.78266043 108.7034619 76.59749219 157.9467752 124.5337593 132.7026663 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature3 158630.7985 71188.76389 28121.70366 24756.06657 118001.3472 75062.84369 30570.126 102669.1821 180234.7392 85679.49994 44280.87381 154110.4982 44955.50431 30814.53614 75122.53381 79308.67194 116385.1222 102336.2662 31061.61463 85367.36304 119327.9988 195132.3017 60484.15208 37328.34204 90068.41506 118697.4659 78271.25989 137340.0915 40707.49177 5510.388279 201474.4768 152720.7476 133280.8723 148954.1743 93225.26566 188352.3648 99109.94551 217552.5827 21396.49136 78740.73304 177166.4629 98151.76458 134504.0957 42165.90741 157213.2265 21931.03627 150763.0863 49123.84919 131195.8269 131850.0479 53422.35862 58507.46167 7224.86917 17621.16169 114863.1142 124831.319 123052.8501 124048.1855 125581.2746 109354.2227 123461.0682 126149.248 116855.4719 148.5640687 157.1907267 114.9917138 218.6837013 209.541281 201.2447078 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 84564813.94 87837515.15 50117348.73 121558065.2 131682022.2 93257751.56 71394915.93 76605872.84 115849339.6 50414661.09 37999968.98 41672807.29 43391126.39 29247002.44 29669790.8 43302426.66 75703211.34 44627010.68 36769590.33 89558374.63 40939576.7 126662135.4 58768127.54 34095006.9 27525965.88 61139938.47 39168556.36 60831617.29 49759687.5 20066326.08 98637038.87 126813680.2 73128073.47 79332091.34 50907158.32 200016662.2 41444681.58 99980655.68 58235377.69 101548637.9 98804947.01 32590604.94 35528576.5 56435834.92 82827586.94 28034077.77 48172938.77 31104449.05 94498356.23 53048390.56 85542354.25 66745411.36 45001979.27 32904594.07 52743393.82 57165042.87 55084412.96 85548884.04 74297454.45 68828523.39 70856323.5 73874658.27 41771253.5 1783.073961 1165.868021 5199.523369 1543.589746 1009.626228 3818.031961 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_feature3 77544663.24 52301627.4 35416442.2 52499818.11 106246128 64777993.4 44327558.84 51615812.86 87566208.9 43640526.85 31306845.95 50657779.92 26677308.27 24124533.97 40652131.6 36074909.38 75060384.29 39151589.98 26976914.84 49803141.65 44074479.49 79814058.97 30986541.32 25445906.76 32501938.81 55496291.85 34118012.88 44014740.67 34169052.43 12587726.8 73111482.03 105565430.2 51373357.74 53088750.32 43761736.36 74152474.72 37964887.82 123962009.6 30907463.83 49739051.94 81199003.69 40124183.03 49130843.62 69902838.18 73698457.61 23238602.68 61662828.87 21688886.33 54611361.7 58661111.42 41623896.77 51519586.48 18254920.94 24259598.22 53645117.76 52776877.39 52916951.36 55143680.92 57167239.11 59569234.79 63880651.86 32721071.41 60117044.18 2468.308845 1402.59841 1353.371928 3134.853959 2336.503187 2604.423832 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH3_feature2 12170021.74 12792968.92 7928994.372 14828066.69 25083545.81 13282740.08 7387178.201 9598076 16189934.41 8366179.178 7280931.386 11004865.78 6650506.582 5745425.454 12758767.24 9246037.686 17178929.76 8445340.848 7365877.832 12672607.99 9057723.722 15986908.83 7559538.403 5477256.04 4565705.119 8136183.476 4790184.917 11765397.61 9626421.62 4117806.463 14722979.89 13788559.56 9625707.839 12267717.21 9222814.162 18863245.86 6274353.449 13589810.33 7893030.737 12197456.48 10151487.74 7737582.705 9384526.932 15832956.86 15247125.06 6056595.56 13550234.71 4750648.388 11257375.63 11840865.76 9119481.614 12502367.99 5389455.977 5647559.626 12547704.12 13544359.28 11921317.76 12209114.77 12618416.68 13248494.1 12243227.22 12742122.05 12769312.57 461.0228328 575.8632984 678.4249923 490.6224902 588.8094466 481.853352 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH5_feature1 172733.0942 234366.3155 255784.6605 237194.6609 131643.0077 205980.8607 219377.6313 194458.853 178227.3663 290825.5349 302021.9421 214088.2594 267926.1758 236840.5769 261663.8491 252335.3298 231061.9956 274412.6991 259303.8958 222846.9693 219143.8703 169456.7548 285252.8618 236754.1145 285892.522 246671.5399 258946.3439 230716.177 267979.8913 214559.7853 182808.9088 259605.0575 244343.5885 218257.3585 303629.0152 213674.0674 265566.3644 83481.54735 277590.5677 249833.6359 143085.2016 306550.2108 226839.7033 202395.4682 173621.6153 245927.5208 224548.776 253141.6089 191957.1368 233523.8362 257237.8816 266910.297 213093.5004 245731.6476 227534.2922 263368.6841 185950.695 220229.2697 219097.8638 264974.2482 228103.4359 215478.8021 232979.9436 151.6413879 138.606641 154.4850359 238.2593912 243.7475131 258.0825099 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)_feature3 8701303.78 12652330.43 6585245.957 12857483.84 25425794.93 13802872.75 9009198.632 5407692.821 15785746.88 7519186.157 6333458.268 10800878.18 6638894.966 4816052.152 8356030.662 7721940.166 18787604.95 6830854.076 4952565.777 10037183.01 4566000.721 21041995.36 6450345.835 4625529.269 6658256.198 10043271.57 6411745.131 11396356.63 6702326.472 1884912.987 15355743.4 26873003.55 9427896.144 10479515.36 8150328.506 37443736.33 5791582.19 27326523.08 4909043.392 11022534.27 17307360.53 6721283.73 9224229.549 12061441.27 17392207.82 4261436.542 13016650.63 3419625.026 12725808.59 11644796.74 7494896.085 7738714.69 3025192.683 3158468.876 11591614.47 12840790.68 12555368.26 12379000.66 11639063.97 12585144.78 12659210.66 12405228.66 11824184.17 1543.446305 1087.329994 1112.307991 1228.910307 1566.805175 1236.959114 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature1 206344.3235 68206.57671 31284.57548 98607.62677 278418.0381 94871.267 56449.5223 113863.6028 332430.4344 52291.49524 21606.4384 121769.3589 28894.76613 31674.54318 217834.3352 49490.371 139960.0843 8075.530592 47022.93771 83388.87355 100161.4652 434319.0734 60904.71714 30018.24084 52567.74994 114273.8484 67123.00987 133873.781 79364.47464 12639.67899 304719.2894 298000.2421 82916.79148 190929.6549 64439.35917 1026638.377 58268.44231 572266.4194 43622.0592 98811.25672 359112.4504 58240.33319 83203.75112 225294.2177 203326.0564 31709.0159 164053.9731 26762.132 140347.1126 106614.8201 126695.4365 111829.2727 33578.87187 35646.64205 132745.0582 127314.5564 126604.429 88757.4937 131459.7766 110575.0427 113407.4747 174384.2803 99241.07847 507.4318579 494.6289787 513.840634 413.4250333 430.7322206 436.0346812 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature2 152390.0773 137916.6078 105307.101 196783.1545 161645.6087 178994.8827 188727.6989 207331.9646 253706.4768 112149.2495 63847.21213 170263.6658 60604.89703 82935.49351 101252.1196 92744.49266 152979.993 98806.19937 82990.80723 119040.523 130946.3458 301961.1929 121383.5812 108681.7278 110374.3549 117895.5045 104325.8228 125145.9237 95879.08075 61737.86449 180092.3104 281561.9511 102660.0462 161381.7259 161591.1534 642870.7552 125841.6636 249489.2617 139386.6162 153645.0043 222431.7621 102857.1129 99850.25053 175691.7449 168808.6933 68354.23148 156497.9046 74421.61841 138676.5758 147859.0746 240841.6395 188145.1946 126459.7546 102881.9259 161126.3989 161680.4181 147154.9254 171345.6749 130135.108 135240.4991 137217.6213 223735.2402 130999.9681 784.4330331 880.8587264 941.0718703 579.0476264 759.3570009 785.1522787 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature2 121845.7865 68582.29393 45719.91787 42252.1845 117371.183 55417.91622 73930.66269 145091.9011 176732.88 87760.06634 85000.13914 126700.0977 62780.53885 103542.5237 24942.37896 59661.89146 152590.4337 113232.2942 29429.57247 102327.6516 92372.88689 112934.6787 56696.60652 113692.0923 29165.34524 131069.593 53136.45712 99162.23714 58933.22667 37689.73794 136313.4155 203439.3545 114558.7055 171391.1957 88120.75503 316188.9693 62547.24519 199591.1353 66757.10575 71005.92896 23548.41507 94796.29823 109576.246 156554.3118 94433.01738 55172.34335 138579.372 49668.44491 72831.8643 105262.3068 11130.49023 128493.1818 43637.35714 15470.17838 116884.6014 93475.88896 116329.8428 103730.155 110544.8113 134076.2664 76081.48603 90991.53975 134192.884 1309.632516 1579.147414 1183.274789 1534.603357 924.9080593 960.0796802 TG(53:5)>TG(17:1_18:2_18:2)_feature1 2712902.557 1167036.794 386364.7709 1323091.964 3901405.716 1414358.883 1031749.515 1162413.637 3464442.603 807422.4429 289434.8818 1467293.606 276218.6058 322479.825 951072.7729 721071.9313 1424422.455 672801.4869 650597.9378 1026468.099 1343321.092 4161471.912 649058.8967 440145.4852 710099.8251 1515579.868 783943.0516 1489161.476 1004482.137 144523.4467 3528515.564 3548635.097 1745047.328 2065413.203 1078971.573 8554463.078 947333.5038 6251937.97 609327.9743 1245970.323 3808360.42 686750.1477 1191512.696 2921119.09 2808482.313 349937.8932 2304038.669 379368.2279 1619467.62 1567398.476 1266756.18 1486854.928 340689.155 467586.3702 1588911.754 1687313.87 1631895.055 1764960.235 1603063.802 1660065.899 1649314.197 1687514.748 1609817.645 511.9916888 530.2189617 551.1170232 515.3156774 526.3538644 551.5867388 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature1 273988.2 201672.6914 113037.9463 206753.4876 401068.8327 283982.6149 165311.5754 136623.9907 303535.6783 134412.8807 61093.84966 145084.5622 42788.7565 50891.71283 129852.1706 99794.42045 160610.091 112351.9022 74481.12634 140792.8461 100480.7314 381640.4652 110147.2095 78273.87661 110208.351 150176.1753 105205.2398 161829.8575 113632.2924 32761.354 266716.0452 292592.3814 237409.5449 269999.9119 212152.056 351747.8548 119719.2048 326048.3393 111687.3637 177129.548 249700.0087 102403.2364 156326.959 262385.5658 269223.5091 57579.02092 218786.7927 64991.95334 157249.0307 170625.3831 261867.8545 327185.0977 54496.75661 73839.16597 218343.6896 203061.6227 222579.7602 233451.1575 184958.6369 241170.6597 154393.5686 240358.3326 231659.9491 213.6146303 216.0866479 235.4175891 423.8287563 438.5187637 465.5848734 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature2 9020593.564 2723384.549 1137860.675 3671982.604 8481337.512 3574654.215 2425047.405 4024907.329 10998173.16 2299630.26 1401008.713 5942346.539 1391077.885 873979.5722 2286376.086 1993652.777 3431552.757 3237371.709 1457522.022 2638869.161 3240961.833 8494206.681 1870812.09 1655743.572 2005309.425 3362061.865 2609622.571 4361469.448 2989053.702 326204.2389 7678474.396 6737899.961 3889179.968 4990806.024 2623760.161 12480246.15 2949163.026 12504849.65 1466675.898 3760908.098 10056557.9 2330154.98 4266333.822 8826447.441 5777456.071 1016108.382 6156255.333 1615728.587 4300221.307 3609031.614 3075916.83 3182084.8 1661308.662 1178176.666 4504206.644 4056396.212 3522419.442 4093635.032 3632038.718 4505067.681 5138735.127 3873592.83 3597436.911 324.1428595 351.5794514 313.0483357 348.8524397 396.1291245 342.6580044 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 4165443.596 2239150.237 1124288.649 2330474.781 6054938.752 2684024.266 1847387.076 2291041.05 4253520.056 1933644.141 727015.7653 3354915.117 757348.0103 535559.1964 2245901.52 1896894.342 2389203.35 1333356.563 1176982.85 1867596.856 2863716.437 6565574.05 1250754.036 899808.2579 1427110.978 2189291.71 1258883.182 2597610.35 2414283.429 318515.6568 5110807.636 5534172.383 3668880.557 2816637.531 2002382.57 9145576.249 1846134.324 6878782.109 1343947.81 1977885.77 5441196.951 2002379.186 3366996.932 3864608.008 4817572.679 1160523.904 4872853.849 913298.6923 3384771.185 2252981.691 2138299.005 1800047.107 639846.9327 609708.0871 3286067.848 3006762.63 2890084.315 2717605.848 2368659.717 3045955.939 3226973.818 3490205.452 2635004.487 570.1972438 375.4414078 400.2613388 335.2328433 339.3609119 339.0894555 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 523127.7864 489652.7358 335820.8746 498466.6731 523076.6103 447247.0391 360088.9398 444262.1482 518557.6523 434588.0392 286183.3054 413454.3485 238993.5754 212931.1078 413459.2511 328936.5514 426442.4898 350969.4091 329814.9423 370697.4127 432388.2881 742854.1513 354649.3075 332924.8033 459975.8778 458458.6333 306276.4197 506063.9481 422390.1019 113869.1755 474086.4747 502986.0007 627128.7515 525604.7008 565128.1484 99161.00478 498665.2835 607721.9548 346989.0301 352883.7832 832886.3507 493154.9111 508322.5792 500804.5447 449698.8379 282444.7142 534422.568 316173.8511 567692.3423 434534.6602 427668.0615 555119.0089 235409.8186 328410.0905 513691.8129 484118.7892 543229.3635 613137.3927 502844.782 424324.6244 478962.198 477692.5604 624036.9536 164.3910157 173.3334451 170.2066368 328.7324199 394.47318 345.3556614 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature2 327356.8951 120051.56 4362.37805 132261.5985 658458.0061 4960.604899 9966.84799 113486.3596 533893.0469 69013.48708 21607.03535 175392.6214 29029.30111 23003.68536 66024.07878 52568.54668 106449.6887 63182.39127 54169.97504 92698.55973 108599.4638 377131.4649 41041.37281 29500.27898 49788.61769 164938.8498 62953.9304 147699.367 89218.5049 6620.955174 414033.3524 366306.1165 149584.4101 218562.7193 95491.40769 1052912.655 74045.00896 626299.3015 55237.20693 104722.3233 476942.918 65411.11353 121236.1968 328990.0144 353973.847 29892.12498 308732.6841 39383.89389 160240.6679 130375.8033 111914.6819 117289.254 21398.03848 21978.59471 146556.4482 163329.0209 203789.8846 157891.7553 169620.9018 139834.3675 163292.8644 177488.4073 163716.9511 117.7269342 121.2582011 118.6129368 112.2634042 104.8121819 107.1671867 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature1 296243.0106 202722.3242 74873.37585 221568.636 194526.1864 152126.5789 243360.797 171008.875 459190.1831 99365.06529 119252.9711 259825.4399 137999.0976 142797.1873 117476.1583 176512.2921 246203.3476 197755.161 148260.6865 205330.271 254469.1571 355945.6323 148427.264 151914.9218 85637.90049 250442.449 195051.208 139315.1091 101095.3519 96666.62728 436654.8736 570643.8836 279483.0866 301546.7937 140159.9109 890463.1855 168433.0533 609559.9949 84692.35938 266566.2492 370853.0517 174685.6506 219839.4111 471152.1267 250290.3375 113975.0484 400727.2969 110898.8014 197840.476 240430.1356 235532.7823 144885.9821 80492.05543 86542.50706 294312.6529 169278.1051 263508.2992 306086.6946 175879.3118 279294.0833 259789.6583 237072.1851 246340.9038 1216.965847 1612.94975 1024.199323 790.7023013 562.2953625 616.6018558 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 23283.35313 63330.7026 59192.03076 99895.14386 23225.81916 56339.863 72382.09715 72546.31551 124331.6814 49415.5563 53362.78087 70746.02383 43698.05125 74465.73893 42337.79447 51429.83918 88951.11278 47033.73379 51750.31627 67815.53854 50612.36896 18818.21835 70672.09056 42315.46993 46264.35407 58063.61943 48899.81595 80696.03257 88330.60669 34317.84527 26080.0146 93150.70376 17455.80888 104673.3193 72174.40323 143425.5867 76356.68627 111783.8273 61270.06004 68106.69071 28984.87112 54251.67054 56128.94645 87781.04587 21819.11731 47529.45352 90121.79874 14562.90601 16045.16498 67687.52727 86443.29062 69148.17405 45964.57515 45483.51015 23393.76216 91635.2638 92739.11923 94428.91278 77893.80252 76509.70039 68069.4214 78103.70746 113475.6241 125.3417099 121.8915887 118.9652497 98.36607434 100.2324344 101.4666047 TG(53:2)_M+NH3_feature3 12979502.48 8071234.988 4963859.295 9117623.369 16861883.98 10703856.12 6535361.6 7522116.447 14499369.27 6275819.673 3487964.062 7413268.644 3006235.423 2696966.812 5781431.447 4754389.677 9538039.881 4990883.721 3715799.179 7039533.684 7167829.983 14547061.1 4978616.972 3517151.097 4596132.464 7629311.808 4833100.565 8203010.762 5350965.247 1441107.211 12917528.89 17184380.72 7798107.992 9490512.952 6761734.238 28195625 5155734.634 23235272.57 4609029.961 4209624.283 13690170.65 5373454.09 6905358.228 12053257.74 12200691.56 2834438.125 10258994.57 1782009.798 5397146.755 8843856.757 6144337.019 7193032.485 2327977.551 2751540.788 8851295.288 8787340.023 8746860.077 9093761.617 8647891.636 9307304.117 8725707.649 8889564.268 8708588.442 316.6370418 331.6921489 339.2475594 358.0832987 327.2318435 356.584974 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature3 3533307.266 2691594.096 1532585.932 2984901.713 5803559.966 3383681.571 2106208.346 2482867.497 4563302.381 1927730.593 1084413.98 2349034.243 1132500.234 861866.5259 1803416.873 1683316.203 3454192.146 1429866.572 1079330.793 2165289.202 1091898.229 4908849.095 1515223.111 961954.1925 1533473.65 2306559.916 1404408.923 2387035.86 1504755.938 398699.9378 3916886.655 5292061.844 2387089.673 2708718.646 1851397.754 9478698.702 1530913.42 3849958.743 1341283.002 2472432.565 4223322.596 1417114.807 2051423.042 2979072.783 4214314.763 854052.5579 3098498.718 767854.8874 2693450.65 2404423.145 1821504.532 1746231.408 717626.822 665366.4112 2581069.529 2803824.754 2766869.856 2849851.95 2600600.394 2797899.67 2612648.449 2737259.945 2738913.188 276.9598539 275.3890816 284.0722754 259.0892159 262.2549422 261.9946365 TG(52:7)_M+NH3_feature1 104535.5952 48410.77333 49220.72295 87335.05324 80757.22554 72562.25095 78567.13578 85438.46838 142633.0812 64737.79487 50926.61677 113673.5921 45456.60549 66318.23513 58682.90832 44498.39163 115312.0037 90796.96656 42431.26126 52649.11151 74200.30153 107876.8654 69071.34011 67107.27078 76463.58511 101374.8804 102794.0133 112703.2565 91984.09294 53082.70586 159798.2034 193693.9788 141514.2063 184494.1429 76057.21904 184666.4945 52298.94495 218658.4722 54061.04776 64025.23707 181284.6003 62690.35642 69918.22031 111670.5388 96680.75832 63555.86603 112368.3062 68424.80407 83640.40173 78693.80755 115106.1332 136034.9337 68380.65743 68303.53668 82136.81431 83768.8707 83199.12802 92233.52991 82285.60077 83504.93957 86166.26365 82349.66634 83174.11912 237.074738 171.444793 184.7484122 240.3420551 233.0679959 272.1186303 TG(52:7)_M+NH3_feature2 192983.9302 73407.50331 46528.20965 84214.62487 173703.4033 102529.8637 105602.4814 148717.7494 384922.4202 73109.55232 73744.83305 217383.9049 73580.43538 123957.9887 126327.8101 80174.52007 283321.6266 130725.7736 83479.03776 158727.3096 139893.7376 357585.0612 91767.36986 79114.29796 64887.92479 240338.4295 101920.1468 205722.8981 113026.2467 40026.93393 294072.3087 488325.5731 131237.4421 215046.3715 109109.3169 901560.5754 92421.99796 517916.8272 59263.07628 124201.65 360538.2427 94834.54714 154088.4021 320303.9786 195842.1741 64117.26218 266551.2549 32786.96101 147134.5021 149407.655 141502.3565 173515.2502 49707.05789 59661.78372 161080.3024 176222.0681 154100.0496 156328.1784 156914.3256 160046.1707 176164.4444 162760.0763 159185.7666 373.0937244 391.2615205 369.9840444 385.7794702 453.3323418 602.4013495 TG(52:6)>TG(16:1_18:2_18:3)_and_TG(16:2_18:2_18:2)_M+NH3_feature2 1881344.973 600274.1189 283030.9812 665835.4698 2064527.979 769856.7857 624901.5057 1108305.586 3190884.334 666450.5753 287571.4777 1914771.071 307640.8111 738187.8076 774341.5155 530193.5629 1065113.097 872095.0687 572473.8589 974055.9898 1149243.154 3612750.657 608135.1322 453778.8271 696175.1636 1654722.248 769879.3622 1560313.74 1058058.868 152486.7154 3279970.939 2174176.07 1240263.749 1966929.041 839746.5342 7022074.39 766266.2683 5282553.192 387341.9562 513954.4148 4036824.74 1134119.149 1205491.276 2407501.809 1948313.176 402569.016 2667225.972 366636.993 1249962.24 1226737.678 1100703.655 1296479.631 283178.3169 411765.8793 1200996.875 1231043.818 1372326.857 1233187.94 1268061.688 1231696.898 1216786.525 1265548.15 1256688.137 408.2077607 378.5284221 422.8071611 460.4388346 473.5442907 512.7240085 TG(52:6)_M+NH3_feature3 1041315.471 309732.5416 137195.2094 439267.9608 993184.5349 400283.9357 448508.4149 592881.5733 1811161.071 333503.1842 360447.8037 1085053.448 387726.9709 710605.343 520388.4044 410688.8899 1453129.899 432391.9701 257660.8437 519750.7668 638145.1406 1878275.888 386060.0585 281783.1669 314434.7668 782810.5888 777874.7499 805510.2407 510998.827 130192.5605 1431154.537 2946084.54 684722.1691 980506.7891 406806.5278 4988731.956 372898.5048 2073259.85 260155.2979 967240.116 1778435.05 328038.092 635829.2404 1163289.649 1072533.776 260126.6242 1217975.918 207684.0748 745555.1281 421879.5006 519984.3686 521072.9652 167987.7006 148005.6717 721662.6589 739735.9735 474151.87 712155.2216 703468.8703 676911.548 738572.3386 667845.0402 641536.2349 335.2984888 317.7767323 328.8040578 296.9641755 301.3004265 296.1326054 TG(52:5)>TG(16:1_18:2_18:2)_feature3 28974653.84 11360662.59 5790481.573 9058756.305 28385631.65 12690381.26 7993773.072 13949888.78 32235221.17 9573450.957 3325186.753 24612603.79 5238429.076 3515600.059 11069651.32 9516576.717 17318154.77 10774484.52 8819238.487 12185114.46 18888041.55 45209827.11 8268700.077 5278070.965 11902989.75 16961239.48 9464771 18103571.32 15202496.6 2267477.099 41795049.87 24546929.14 21598137.03 25340767.91 12233209.32 58641716.81 12060899.54 51935709.95 8311677.473 11786731.44 41564389.36 13251958.14 17122088.07 31496228.2 30801747.53 7435010.463 29336098.29 8285108.785 22090289.59 17164773.23 12493589.38 15243036.51 3688583.088 3379394.926 18929618.23 18048889.26 18246186.87 18239165.74 18176019.51 17047828.91 18998822.04 19070060.21 18064082.3 2703.361477 2383.52583 1842.897473 1689.491092 1746.849933 2289.761975 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature1 60006.2779 20050.99218 23035.81358 54129.1993 48879.11843 24843.03349 8502.122114 34853.08877 71794.20312 27394.47646 14061.94105 107167.7587 17802.92537 5869.53187 29476.38435 28280.59634 22240.42176 28824.45342 21058.6891 36437.13947 44505.09105 88311.61338 7072.085507 15443.14847 17942.95212 60998.55851 55389.31257 69901.70244 40455.72818 6165.883014 100984.7479 55630.46239 38092.13449 68043.21896 23428.39345 92072.94809 24346.4324 111444.8213 15885.81902 29975.39785 119234.487 43600.05315 59553.49853 69240.04442 76646.64529 20833.26484 115330.4149 25297.11876 50510.57958 48276.47128 35564.40863 27276.65663 2363.367897 8602.395187 55983.90502 50193.52747 48496.12354 54120.47884 43319.98119 54854.47125 43930.99738 36797.3738 64609.61682 254.5699205 250.5034527 296.0840067 335.6928078 410.8249226 431.7236118 TG(52:5)>TG(16:0_18:2_18:3)_feature4 20613998.34 8299366.803 3633386.029 12853264.58 22979561.16 9417601.189 11626313.88 13789139.41 30745828.05 8845686.182 5246032.846 15477368.51 4563936.737 4653538.834 8319056.665 6371809.806 12896075.41 7566078.467 5912025.161 10482649.04 14055141.28 29855852.71 8853058.445 6696468.585 8444004.37 12601266.79 6998039.426 14280248 8363580.789 2494032.082 23658421.27 31459120.3 14675995.36 15934640.41 8676281.049 60503470.59 7835684.272 39981759.21 5650120.296 11781572.65 27117600.73 6865490.191 9603212.704 18051142.6 19385795.49 3854022.292 16687512.59 3644887.036 11285934.06 12083818.64 12289523.33 10173603.7 4606901.153 4596716.471 12601315.96 12682099.38 13149749.94 12492215.34 12428168.22 12838492.84 12882792.63 12684517.78 12643936.97 1266.571921 1445.915733 1540.951178 1293.711675 1601.486544 1650.281825 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature4 32534226.67 2245574.951 7833085.058 16827220.88 35286610.46 419942.1689 15605168.84 13535100.5 40562479.69 18473604.1 8617157.776 24207311.78 8923122.169 6460236.731 20776949.36 18683615.43 20043919.97 12597054.98 11664255.44 13781933.76 28236706.87 47423053.53 14031388.75 591941.2506 11935813.62 32578319.69 20605013.75 29052493.48 25168375.62 4030394.871 54466874.87 30731644.01 19462182.26 31408731.52 1516161.466 42911701.72 12532055.65 37838572.66 8693855.968 16670666.23 35251815.56 18505209.34 27351147.7 42508860.97 29217341.67 9184697.405 41215672.37 14938457.57 23406189.97 18744811.55 9045671.313 12071683.98 251448.4662 371056.5977 26515508.26 27507236.58 24627434.18 27060199.37 16529879.77 22784286.68 28651845.74 26951617.49 26150668.52 207.3969175 207.1725687 203.5897355 257.6920504 187.692744 195.2209437 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature5 175095549.8 108240141.7 64985438.54 118234065.5 223506567.9 132476126 86924077.67 114404460.9 198941963.9 110691332.9 49052592.27 129409027.8 42576235.83 42492807.2 89988307.2 66878761.52 119346998 81868304.63 67653612.56 96979161.7 118519110.2 239475623.5 74979564.93 62138594.07 80254965.27 112706739.3 72947754.38 109215419.6 83426183.06 23926982.91 196852886.2 211298343.2 131797248.5 155040726.4 100416348.9 320320699.9 97157347.48 283019156.2 70995060.67 102974421.3 206643251 82089885.18 96810557.04 166371322.7 173852889.3 52479803.84 155812737.4 47250123.59 126432639.5 130244220 101633867.7 110847250.9 43339281.93 56265835.7 127218496.7 126360358.3 143597570.5 127860117.6 132717469 133180682.6 127542879.2 131191701.2 130314823.8 1543.133411 1851.374713 1380.25414 2199.611065 645.1848427 947.3022517 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 5830729.128 3091390.604 1199590.039 3322786.546 4570428.63 3196007.519 5164142.381 6026992.638 8580730.808 3261660.528 3395910.841 6056004.282 3197325.861 5837198.117 3936310.516 2405677.004 4178266.204 3197778.936 4335548.562 4051833.513 4246916.348 4809488.879 4084809.483 4061848.04 3121096.129 5070449.704 4344575.556 3821590.231 3213421.053 1792626.128 6406834.173 8323528.209 4492741.01 5571387.667 4075321.324 12648740.01 5110260.249 7787649.643 3156145.364 5648580.552 7027010.769 3558014.494 19780642.29 6364489.642 5617199.822 3984602.68 6715237.553 3768296.51 5967385.791 4982888.802 3816777.19 3699611.903 2212307.408 1996674.781 4799543.558 5085319.898 4681772.715 4950347.017 4854706.664 4719429.574 4930018.285 4871783.791 4680519.135 543.2620664 508.5311476 502.8757703 510.2307511 503.8075948 526.0686327 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature4 25612399.84 1311617.586 6189021.673 2836186.314 14862246.22 946858.9196 671835.8153 9590728.084 24787002.91 13311454.99 7562047.72 26401095.64 8768314.104 6324131.682 15220084.28 1687683.914 12077471.13 14730164.08 10183903.24 1274402.218 17414059.32 18980960.51 8997940.763 552189.1719 359228.6414 20687000.13 7769911.344 23849441.91 2644178.034 297446.7307 17937740.15 19301021.19 16261272.66 16056005.08 835203.762 29615057.74 1376456.825 33275130.79 9586801.247 877102.394 38165966.56 8182036.462 23936309.87 14934518.69 16614924.8 11705501.91 32198363.58 211464.8202 25264544.38 20569433.78 344943.1272 1482971.345 341677.7818 842609.7533 1677144.782 18151522.04 18690486.2 12112702.05 22137736.55 1721848.588 701335.3788 15884566.82 18413509.54 208.4886005 185.876805 187.74642 226.3428139 239.435364 242.6681838 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature2 3945786.388 153675.4124 1343465.225 1819564.919 3513137.769 499848.9243 146972.5503 251813.0239 4365655.607 2087649.152 1485075.854 5692539.597 1671599.462 1179465.373 2792488.722 2528186.928 3219648.074 4823297.43 2586074.775 2957311.393 3812369.515 3908507.532 1810001.407 1364517.208 2848936.26 3625764.693 2772393.45 4013800.691 3603129.992 570656.1415 5880036.281 3886533.341 3539282.358 5293240.433 2792289.425 2212358.45 2204704.327 5144257.84 1303856.58 1961941.084 1884870.948 3541845.216 6020504.354 5203782.23 4398825.656 2414128.668 5087993.593 2473796.214 4232770.958 3607218.227 521911.9488 406486.4708 763714.4484 93257.71792 3675892.914 3224679.461 3557844.524 3235648.789 3809454.63 2783063.963 3498818.938 3339233.032 3800600.632 131.5829874 131.8904793 127.0979951 167.2355824 161.1037809 168.3548425 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature1 137272.6311 150427.4604 108849.4616 103926.1001 130500.6344 496189.4096 141989.2553 247618.5264 119244.2142 118937.0634 91837.09967 115577.5383 100161.8013 81784.06514 100364.9683 121380.444 129950.9524 125942.368 115705.8676 130599.8715 140548.3267 124661.0012 96442.05627 90236.7693 134746.1902 142121.0765 110552.2945 127882.6906 116840.0943 123595.9532 135646.6683 131354.0839 124501.316 141831.147 125772.7569 116184.4602 146796.8138 115561.5526 95204.38607 118794.632 124685.3069 129826.9755 130101.3937 121557.6959 140631.2315 112603.6635 139319.3493 88195.12634 129630.6198 140277.2328 485150.2551 450882.1173 108165.8657 103062.3954 137226.0597 119963.1421 137819.2634 133371.536 131989.5217 114693.9855 145354.3961 120978.4206 137823.9974 188.3414648 199.1171091 211.3547388 249.2131916 238.1917448 228.1717203 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature3 170521.0893 63029.69168 54734.64119 140267.7512 82281.26889 79746.29916 237819.8213 288504.7932 183169.0102 76033.48575 163601.5358 238271.8278 114893.3372 292318.5159 184277.014 52806.42682 129524.1995 146222.5852 176905.5149 117752.6212 139165.7662 118675.8718 171890.0771 117362.608 91719.94223 121691.2519 151603.1145 122662.1741 88789.7525 61199.89418 106511.5979 348058.7584 127558.0989 210680.4463 89143.18376 421348.6359 145314.8932 282697.3872 112854.5728 172432.617 110726.0539 97275.43303 167167.4501 276811.3776 146392.3702 125203.2261 176153.7114 125877.1011 190162.1551 150697.7403 138876.791 164709.6898 83887.62187 89098.1279 176573.7514 168019.2111 158369.3378 177618.9696 170008.3118 172460.7069 106026.3763 198137.0845 188649.082 314.5659353 329.0969568 328.0492643 403.0861528 393.5645629 418.456445 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature3 273475177.9 189560629.3 122769856 219577419.6 307243753.8 216220641.6 169645406.5 184756871.9 307180340.1 165818277.1 88675746.77 209285847.3 101652238.6 91622661.65 155273543.2 159104838.6 205765740.7 143426995 135009667.9 186090118.1 179994899 325962186.9 144593958.5 116744707.9 153290375.2 194574078.3 124000380.2 191753775.6 173245554.1 61326952.93 299790830.1 270124266.8 222391636.7 215191835.8 189889333.5 403774265.3 182497345 356930875.3 128657117.5 201430298.5 302166849 154947906 179959272.1 254134589.3 266027003.8 94086133.59 257418419.7 126402703.2 223898705.1 174910083 159381209.2 170241353.8 83051186.27 86978574.96 199120244.3 209272818.4 206511780.4 224242700.4 210960383.9 225382172.8 218533498.9 182273942.6 211194166.9 2485.191215 569.7973074 484.3370598 2588.133704 1401.929788 787.8300143 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_feature5 80406435.67 57029031.83 36948961.56 58188053.55 94897332.65 59376926.88 49596554.19 52313417.21 93331735.11 41214173.64 24705028.58 8060578.312 26345398.53 25974591.58 24759401.51 33313096.28 82803609.22 36770443.14 32053893 51914816.31 46580260.97 91436725.65 39772185.12 36456876.8 34598787.73 61198584.98 35289532.94 50318682.85 34132965.97 14568319.44 76770362.26 63979616.54 51524711.3 64263041.82 42683432.1 76986260.18 41588792.1 79036944.32 37936656.9 48498578.3 80285816.9 21497519.57 44710940.1 61679841.88 68857575.27 2008881.495 57971998.58 1547303.391 53160352.31 58570416.13 44813670.37 49376810.88 22693205.19 22368525.58 49444168.25 63654448.72 2592454.396 5169792.955 55239829.29 67756358.43 55005742.1 62645191.81 48446538.91 1505.723438 3298.663155 1021.819409 4911.902172 4456.580265 3932.800188 TG(52:2)>TG(16:0_18:1_18:1)_feature7 146689570.5 91815663.19 66681960.58 97104068.09 159849590.3 106175040.1 87580551.4 98787889.2 144144068.7 122617983.1 65298647.67 167495726.5 62907766.6 52728276.33 105667625.2 76241743.69 107103563.2 84095798.14 70095015.93 88585843.15 106497394.7 149056258.8 68642962.67 56814669.2 100309446.8 109396989.5 75368710.19 111766400.9 88531265.79 31176431.63 155594202.5 175235768.4 115671362 123902218.4 98665075.33 239454919.9 92374277.15 218799330.5 68890775.26 82516661.16 156625194.6 111993753.9 109648858.2 143291621.7 137948732.3 87884550.65 149508257.1 95265998.05 109020812.4 115159429.6 70934993.14 85216812.26 33501533.41 44006394.55 115205083.4 104456333.3 158409660.1 133875102.2 149815460 114450783.5 113391710.7 122343569.9 128211955.3 5543.971114 4958.339294 3419.40211 9756.59771 5335.014376 6129.413534 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_feature3 62318340.87 41060571.69 24139173.09 38972842.32 74363900.29 43448932.88 39231732.63 42689875.41 70358715.13 35548766.56 24616064.86 43128305.11 26180297.97 21857164.98 28956516.34 28643336.82 58860870.2 31769267.04 23982429.39 36901289.34 40092138.27 64280741.67 27180824.16 22852508.23 28973308.09 40261853.24 26803473.14 39865936.12 26238258.63 11047055.91 68299585.08 75856451.95 43446392.73 44615660.42 35574472.66 98255175.75 34063288.41 78507997.23 26915743.68 34310602.5 54603448.9 32845673.22 38692832.63 49841187.01 47342177.64 20331695.81 47748211.34 19268246.48 44894598.04 41115537.75 29551006.57 28656056.64 14015795.04 16322729.36 45135352.57 42759773.26 43823890.88 42601097.94 43829574.71 44777812.07 40260667.93 46140532.21 44094448.6 3298.142508 2406.661526 2695.186166 3654.260002 2849.434601 3172.079277 TG(52:1)_M+NH3_feature1 123954.6525 69724.55442 54467.51076 65679.38849 69577.33096 68287.2438 69582.96161 100155.9493 123475.4007 113036.8386 88954.79166 143706.2197 96769.2365 69141.57912 96530.79381 110486.4339 117336.6518 121831.6596 107299.0566 99113.77885 133636.2324 126530.342 81920.27827 72675.01996 122419.9135 99707.75323 117852.175 141846.3688 116449.2838 41557.19903 125715.8779 110037.3025 110408.4058 118542.1084 118710.8452 78533.3968 99805.20101 92536.31024 72677.90223 84929.84827 143168.6911 150812.7749 128648.98 99441.97955 117870.9654 112899.8539 126823.8407 100072.5188 122332.6358 113851.3623 59379.31045 72796.03703 32605.35834 43071.6788 103719.4415 107893.4005 111125.0487 113853.2482 99327.88786 102521.3278 103410.2021 112600.2613 108532.4759 131.3630944 128.4904842 124.1380136 213.0217462 227.0554642 231.8940319 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 1995402.763 3201144.461 1813518.436 3549125.738 3336049.783 4233350.804 2996180.97 3423846.439 2966963.047 2651342.742 1890123.647 3447757.644 2263479.072 2136454.35 2801722.102 2486502.649 5046625.828 2224589.297 1729962.979 3159858.548 2635610.56 2728176.257 2266422.966 1746758.613 2357556.196 3175731.208 2344789.611 3552892.763 2139260.419 860615.2247 3358330.746 3647714.667 2607960.954 2788627.131 2563239.155 1943312.232 2342345.315 2293049.011 1669535.456 3327261.552 2423838.212 2182662.675 2950788.892 2315371.841 3453797.296 1661773.319 3210067.027 1263464.025 3885866.474 3580108.549 2050323.531 2121597.662 1125899.938 1168063.288 3704900.23 3964088.259 3883941.027 3884194.585 3922723.842 3969016.801 3836558.992 3874032.466 3772824.883 6619.089995 22223.67113 29235.22661 7469.040537 35572.81006 37924.81431 TG(51:4)>TG(16:1_17:1_18:2)_and_TG(15:0_18:2_18:2)_and_TG(15:1_18:1_18:2)_feature1 4190862.954 1822144.808 845241.4235 2055458.009 6392341.371 2522818.584 1653626.503 2319192.971 5614719.158 1400504.384 543181.2964 2222926.342 523174.949 566100.1572 1383496.364 1031778.441 2465510.675 1092406.795 914922.8411 1848576.305 1881460.737 7006045.577 1261982.794 813239.7803 1160324.615 2284495.511 1132563.951 2182412.553 1324513.973 271928.3335 4751829.117 5796088.979 2662120.142 3167744.018 1618776.654 13939480.03 1554900.13 10396339.67 1133217.497 1883822.557 5815281.352 1119373.081 1723164.251 4179533.481 3940524.496 606196.2674 3973967.625 765827.9197 2409722.613 2241053.497 2476653.355 2390781.637 682880.2467 785590.3753 2510016.252 2779299.239 2456477.473 2826405.106 2597321.375 2466873.994 2794155.971 2811323.364 2405727.664 658.6737604 687.1450932 746.7479759 693.7516096 708.969671 720.0060914 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_feature1 85589.78075 39120.20255 20159.80876 38846.54028 62742.13129 38985.53888 33847.41731 51625.70269 98913.9266 46114.95111 26160.80274 77593.47416 17158.82942 14221.56927 41377.20536 44976.6226 32999.14061 43488.23967 36714.48951 49376.73103 58050.56706 93728.44326 28530.57621 25908.84682 45123.95812 57831.48741 21493.23732 72305.97391 45571.18116 9013.986486 110426.8391 54446.07582 70996.21803 67208.04887 48880.82747 52927.23277 48585.61248 91242.98315 31974.43379 42482.7199 107250.4625 52518.15957 66725.78457 78321.51108 78807.68192 24051.44223 94367.77536 32900.43607 67802.74872 65599.90449 41088.1965 42130.58977 14157.32114 14475.79745 63171.37208 65407.36769 62771.61475 59869.56384 60159.07315 55282.74123 64134.90693 61261.40657 70182.13077 144.0777788 153.8719764 160.7101218 292.3123932 272.7681491 302.2996878 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 14245960.64 6348881.47 2883405.821 7124716.767 17958873.41 7927388.244 5728390.947 7370887.523 15699752 5231524.522 2401426.398 7958928.924 2248274.857 2199137.869 5096500.46 4189306.118 7858589.621 4265103.388 3534830.741 5633220.442 7287147.354 19863027.18 3764425.674 3047955.956 4526708.04 7242939.831 4058314.794 7721852.459 4868874.749 937949.3491 16310951.65 16112127.38 10086966.13 11162046.49 6288470.856 33454623.9 5871872.584 27148523.68 3958977.019 6586706.036 18497219.78 4742936.563 6286126.727 13922096.53 13008077.46 2745011.933 12109168.86 2906294.232 9546459.068 7774429.719 6367344.674 6846160.973 1978137.658 2258932.099 8261240.891 8582270.172 8746455.921 9358703.125 8779372.386 8354824.608 9156141.048 8352653.672 8438761.986 873.4728782 951.9847775 926.1716943 856.3618195 836.0124625 852.6226553 TG(51:2)_M+NH3_feature3 11547739.85 6188074.143 2691924.824 6899055.029 12190185.51 7506506.362 5000564.545 6388188.35 11210789.07 5502411.591 2098498.009 8701743.957 2319343.311 1974380.308 3915501.478 4234281.82 7619655.174 3900788.038 3010695.29 5424547.145 8212969.61 13579996.25 3758887.529 2825016.758 3845790.417 5932186.475 3635313.241 8155569.234 5015963.49 814209.3555 17251157.27 10332069.27 9446543.894 8263086.253 6100684.32 21674619.68 5778852.764 26522473.66 3339457.986 6753040.716 17177342.35 4572882.485 5740511.048 13631843.65 13288931.92 2658441.084 13419877.17 3021017.856 9102616.961 8049369.439 4461481.153 5039469.097 1397194.073 1501854.77 8190232.958 8142258.431 6428586.198 8875288.349 8577939.89 8980100.442 6908603.401 7326345.601 8518448.171 590.8803455 614.4756077 629.8482558 568.593356 607.2039702 601.6014245 TG(51:1)_M+NH3_feature3 8130184.901 5218477.061 2849917.109 5220890.924 10936385.55 6207814.52 3961876.413 5697744.868 10866558.69 4707586.742 2490939.881 5847135.129 2449708.113 2353072.767 3965595.836 3347935.53 5850179.598 3739905.336 2847880.423 4960281.362 5392734.018 10373875.46 3528125.781 2843808.189 3765589.522 5208961.963 3544294.789 5923505.33 3855150.807 935222.7221 10628386.11 10252753.19 6435251.268 7334556.592 5018576.99 16779285.75 4428931.196 14556661.97 3242337.648 5285156.356 9623535.534 3820615.306 5444849.549 8407996.682 7696566.976 2338178.672 7443890.855 2481426.396 6378202.398 5786702.097 3870868.982 4356132.117 1660234.271 1836257.192 5861239.273 6085049.247 5573685.191 6036494.671 5679107.715 6313723.417 5986226.868 6511692.273 5227625.573 235.1457239 310.7560073 224.5111262 281.9134688 251.1750122 291.2420631 TG(51:1)_M+NH3_feature1 211591.2595 157962.2473 109515.344 147702.6209 196542.3935 156489.354 158466.5881 208142.3217 190149.6728 190466.7918 69365.9174 170943.1296 118908.3722 118809.3073 144850.5073 1906.402712 146616.9436 157143.8805 142796.0841 131177.8722 225591.2054 224805.6909 162507.0811 136219.8496 188422.4327 131278.3831 132406.1025 166587.1723 138161.9237 59095.34376 231830.2936 163892.8716 194055.2427 190325.2826 189312.8262 172753.9747 183533.0662 234503.9548 155547.9099 147694.8651 207586.2634 154705.9829 156419.2084 184673.2194 179454.2508 123913.7685 190311.9515 3195.006299 146007.5507 186641.5594 149036.2471 88779.65459 87362.32501 108837.3723 208712.1307 158422.6451 152542.1049 192532.3628 164384.6139 159776.6281 185669.3575 180619.9161 193512.8066 119.7495119 126.1976371 122.1601339 235.6779895 229.5247175 256.4108599 TG(51:0)>TG(16:0_17:0_18:0)_and_TG(16:0_16:0_19:0)_and_TG(15:0_17:0_19:0)_M+NH3_feature1 388724.6096 671484.525 321053.6992 655978.9685 667425.8926 762989.4498 564893.8022 693767.5333 669618.9302 477163.9487 293990.1544 538644.0858 297641.5206 313863.2144 479878.3873 376151.1412 755504.3293 352167.7822 295854.6171 509965.7527 502702.7139 602070.5676 458437.8488 302789.1596 458667.0604 582475.5615 430859.1919 649181.887 388004.1518 115841.5089 665601.9428 646582.304 566782.8649 611465.6559 526758.3198 469319.8319 461786.1269 608502.0476 350538.1405 649042.3755 561781.4216 211897.9271 520051.3396 461686.6883 708882.8559 253862.1038 635159.92 228219.4968 698996.409 600486.3672 369615.8396 434373.6502 204447.6619 203315.7557 708388.3066 712195.7009 713224.3549 732419.0257 677429.7134 732284.5543 752001.6696 728784.4022 672618.7035 259.0099808 671.4172426 310.4654029 314.4566009 469.415994 550.5425693 TG(50:6)_M+NH3_feature2 109573.9048 40130.58611 27286.55737 57002.43515 101201.8757 49442.3404 58302.3398 92157.08346 230135.4628 31270.40929 48763.85454 187103.1704 45222.70494 77048.89894 37511.26281 61478.38639 103244.5532 82144.66217 31472.63036 104073.3852 108309.4255 94285.67968 81285.2925 57275.41857 36667.25542 72363.33918 85523.24026 175723.5481 59063.08386 32163.69882 96817.49489 356300.5955 45459.00357 135105.6831 39582.59945 401514.6303 67445.43937 389159.4643 41127.3466 51068.67621 108538.5719 28284.82536 75820.51766 117223.6339 74747.3944 25347.65201 136591.4354 41762.65027 95501.57392 48740.13546 89272.38442 93120.27862 36038.44951 30533.93681 95566.00603 91610.44285 85725.46188 120488.2006 78083.71865 97958.52901 115681.7302 86391.48766 80613.26946 743.8496336 660.8972603 682.4592068 566.7379428 545.9507874 633.1936658 TG(50:4)>TG(16:1_16:1_18:2)_feature1 21625937.83 9762074.716 4633552.622 10027328.23 26751252.24 10893227.41 8707690.671 12506790.81 25746986.32 8020651.554 4431534.848 21350549.09 5154770.669 3337581.132 9433793.993 8890990.091 17231444.13 8447362.295 7731880.223 10366392.09 12780403.85 39302421.17 8675656.387 5248525.213 8354021.377 15374226.6 8409218.718 16445327.41 12496472.63 2179153.358 31739587.18 31832198.05 16499065.96 19092425.54 9383936.525 58060219.54 9998392.022 41570508.29 6706398.775 11230356.87 34954547.35 9902411.074 13927547.52 22013624.03 24915733.01 6360647.639 26184524.05 5967979.772 16190566.89 13499123.65 11241066.61 9894526.337 3680669.315 3241466.686 16210404.87 12885439.03 15347081.68 14336683.58 14131674.58 15334399.7 15372856.36 15094055.54 14101635.98 6150.514007 3306.58315 5815.622761 2709.892159 1362.870233 5354.032435 TG(50:3)_M+NH3_feature2 31426.69495 10446.40967 5262.570833 16690.5917 32307.22843 9229.242494 22168.48491 27851.14097 65753.21339 13370.79145 12475.66356 35033.17621 11942.62373 35419.81835 22654.99672 11228.58459 28686.67207 16392.96968 14100.3247 23063.14924 19048.92565 37332.10394 12791.16165 10759.15694 10575.11117 27458.65557 21110.11346 23599.53585 13855.77629 5768.366574 43373.67712 74493.43983 23253.64156 29466.33015 16671.38914 79221.05034 18742.65921 57469.36053 12891.17846 26531.23955 50928.26217 11661.06741 24480.85108 37599.33402 38428.59412 11600.24985 33218.58943 9097.240779 24259.84523 24064.3155 16447.88809 18418.61653 6762.332016 7336.3419 22402.5514 26738.93915 26321.84371 28600.85621 18701.06664 25707.02516 26812.42897 23901.79726 21687.25814 146.8285878 142.8993017 162.2303222 150.1391945 153.3364867 150.0381117 TG(50:3)_M+NH3_feature3 76471967.17 34561656.4 18928875.12 31490287.01 74150180.93 37420522.48 34495641.18 49974709.22 76811472.56 38904540.36 23000705.63 69301081.66 24886221.83 19436385.22 39471504.45 35771538.08 57965550.52 38605579.14 32504699 40766917.05 60532440.28 103036027.4 28584317.2 22997557.44 39270659.17 56885691.57 36393347.36 56250508.32 40749278.73 9380087.884 104163103.2 80366439.92 51904818.88 71703907.97 42544608.94 100774824.7 46163484.97 114669645.8 25571468.4 36765968.91 90616306.36 43729338.46 55319477.74 70476072.92 77675371.97 28356648.77 91244982.11 25384374.06 56914794.57 57317806.3 30423006.93 31396318.68 10921943.27 12922012.26 55229186.93 54151574.59 56732945.51 56317406.59 52429472.94 54343382.24 54766137.03 56829652.44 54877527.13 840.0451123 838.1862087 738.5050809 623.3832907 432.010705 413.9062371 TG(50:3)_M+NH3_feature1 302680.4489 205565.9858 105266.3088 168506.4018 432563.5336 197025.59 198677.8591 278902.0299 401947.265 208670.7277 158722.3913 345374.267 180287.0925 91139.31502 213506.9005 220568.0814 448069.7788 259742.14 177902.6091 256882.5909 296368.0464 382565.9978 172966.2928 138609.6177 196799.7405 239511.5089 242992.7423 326417.056 225477.1774 49230.37369 882636.1138 402599.8586 311706.9361 247778.1213 259228.9701 436848.9881 279096.1191 157237.5342 146400.9927 189076.274 492610.2677 309969.7721 289122.5439 291375.0259 377664.4025 168666.1779 480866.7258 202252.3749 266915.483 286683.5215 180150.2617 216219.6952 57200.9942 85350.41114 331568.4512 284004.0294 288108.5313 303214.453 212388.888 289434.0408 321627.478 317188.7946 316077.8645 114.1966852 112.3590099 117.8218578 210.7914814 229.2549702 232.0717041 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_feature3 132654477 83930525.41 50861284.02 92338658.14 139566922.5 84940203.4 85384899.89 94488098.82 149024124.5 78638781.93 54671820.86 108348519.8 56287094.71 46359820.37 68694914.81 65643727.56 101357319.5 72684727.21 62265275.87 72375671.06 109296729.5 160098469.3 74724760.97 64892039.06 72036770.51 87823325.75 65395651.1 98104689.28 68356017.33 27544937.01 152159562 146849602.9 106319367 124052941.8 88176004.52 194352592.2 97461165.59 168126823.1 65872131.14 92452992.88 140630650.3 70369500.19 82962375.46 114223561.3 108986603.8 50119833.05 116372722.5 51533368.83 95318032.67 87817556.55 63981123.85 68175130.57 35295203.46 39007154.84 96211945.81 101025746.7 97795998.67 101817179.4 104643009.7 102875976.9 94759405.67 100987796.8 97595073.13 1671.28479 1752.447529 1717.98718 3979.815507 1896.132201 2359.071325 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_feature2 40128510.12 14650475.11 9173509.249 11157332.05 30226403.02 12255121.45 10152537.6 22967856.05 25761779.74 21866726.49 9483442.28 31226733.56 14786092.63 10101555.28 20777882.63 18419666.85 30173341.35 18100594.18 17666616.19 20621406.85 28215480.92 35526631.5 12232050.25 8773490.014 23637875.33 22021654.49 18208155.02 27994733.85 25019165.09 3304453.518 48166532.58 16701099.42 31416358.02 25008679.89 22508237.18 43889355.52 12399173.61 30521782.17 9537924.853 12330444.86 45054927.35 31326333.28 26821698.85 31683877.78 32053670.1 19448350.03 48112058.66 16539644.51 23998693.82 28860495.95 8084993.805 14638368.21 4760285.107 5463744.515 27892118.23 28560675.07 31004174.86 27838502.26 20563598.95 28411298.91 30917340.56 25434259.94 30313678.3 1073.285679 808.5871143 798.1158066 829.957602 876.2598491 891.027325 TG(50:1)>TG(16:0_16:0_18:1)_feature4 106474940.8 61620701.66 41166360.1 65628178.29 102622940.8 65535547.86 63333265.09 77193576.11 107834911.1 71160372.22 43490434.67 83832600.5 52124912.18 45160429.19 58435947.06 53237294.03 76320239.72 59370366.11 55246809.94 60123626.37 87233872.04 114132987.9 56668261.12 48387197.42 68178513.37 72324378.21 54852630.08 78641455.3 62598988.23 24730230.9 121775460.6 92480122.97 83224888.45 94152712.15 73773844.85 120245719.6 78418666.4 120389830.6 52254306.8 72557989.5 108267833.5 73587516.72 74820089.74 89408098 98412014.76 49390306.41 100565405.6 52717648.13 83806630.53 76536953.5 46591061.25 48457170.76 27044098.75 28801467.7 80503537.28 79142067.02 76861569.03 77958678.56 77049644.11 79563123.63 76663609.98 82124817.06 78138415.68 3930.398696 3084.287993 2849.202054 5294.141366 3888.112138 5035.426278 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 6465838.768 8593742.53 5603401.205 8719085.469 8131102.529 9205098.775 9002708.613 11243151.91 8161994.667 8806085.093 6365057.661 11282947.81 6667325.004 6792075.135 7591450.508 6981519.378 12110442.38 8339530.907 6828048.829 8358435.242 9631906.912 7679377.229 7902476.186 6567865.503 8550790.669 9274445.889 8301655.945 10132021.75 7144007.004 3523597.29 9842664.589 8329864.193 9659181.263 9383256.235 8646685.605 4736852.649 9588014.42 5841751.783 6652602.806 9323830.992 7824311.8 7960783.368 9977333.074 7661618.405 9142773.574 6157684.999 10457556.08 5630792.94 11021929.97 9389997.004 6352916.817 7403713.875 4261695.613 4413877.238 10197825.44 10435743.59 10443247.49 10910484.6 10231148.84 11167331.04 10573767.09 10257437.82 10130578.18 13571.102 52302.88866 54583.30456 15740.52449 58264.55096 62727.63397 TG(50:0)_M+NH3_feature1 17277.01148 19115.23905 20095.87489 17162.2674 10447.13579 18609.84482 28133.97462 27038.81984 15654.71054 26853.78178 32721.3196 25913.98495 52259.1069 31382.71077 22034.16711 34050.77506 35217.40035 34623.18898 34922.62052 26911.66471 30633.56014 17149.45309 30817.29152 26488.61248 36282.5403 26492.98689 34240.09839 27956.46228 29935.7022 21377.62301 15694.4814 29714.57297 30422.28854 26259.43517 28632.24707 10222.62125 31273.10651 8632.227317 27827.3845 27630.8045 15550.39953 22326.97846 22921.19919 12177.37018 15912.48125 31415.63032 23352.44547 38053.74534 28059.42526 19407.01044 17841.53012 22827.86631 12904.24392 17840.98453 31197.71772 25078.66203 21312.79983 22640.38265 22175.87494 24808.20356 24190.19685 29243.80482 28099.74381 128.2509329 125.3440593 122.9491756 188.0980286 193.6764893 198.1266646 TG(49:4)_M+NH3_feature1 162873.7745 64390.4072 24951.66397 71853.37128 208208.8471 78767.92468 63926.70315 74040.78673 268514.8484 54897.55559 25419.989 158995.0093 20762.04136 20530.32789 66452.69032 51015.08402 133121.5982 64364.4555 42996.02222 71335.22891 90890.3115 293621.602 56116.83927 34912.69999 31175.90263 127017.741 73780.73989 134770.204 80008.20619 14061.9967 306294.1871 287826.5099 119086.806 153893.5949 69074.25012 786561.2773 69874.9899 509887.9094 42180.02437 85184.58235 307489.1888 53025.99972 104829.7646 217359.4674 176460.314 36322.73349 209709.1068 37132.26946 105710.4121 97302.03241 98828.80514 99827.064 27375.09084 30985.56991 116275.3304 115043.9694 120279.5041 121365.3208 113958.1802 118717.8132 117396.4903 116459.3288 117241.4174 398.2987702 367.4307318 379.5195906 392.9359168 404.0684468 428.15425 TG(49:3)_M+NH3_feature2 1782308.896 612117.9724 199113.1335 580990.8328 1605920.053 659630.4922 464254.2107 825556.6252 2333704.966 534972.4469 162069.542 1209121.136 213876.0244 205607.7875 537772.3728 513886.3503 871592.5143 421387.7263 311912.9759 518833.6635 934181.6542 2639445.199 326283.1317 220238.1719 456352.307 936978.5361 459746.352 1083201.987 596884.5423 88345.17401 2463741.593 2103841.458 1204739.813 1264166.897 631184.9895 4094241.606 596509.4296 3343221.39 371015.6072 689304.8065 2736040.16 536760.9927 870971.8842 1759759.488 1697924.241 263074.7795 1516508.353 283644.2407 970346.7259 858148.675 654880.1929 705092.8039 133158.0707 127142.4894 964640.5791 945293.1094 1015671.826 940382.2921 968195.157 992989.1749 1128148.266 965335.6197 863683.5231 318.9985324 344.9616669 352.0091479 315.7192875 356.9178525 374.8735967 TG(49:2)_M+NH3_feature2 973337.677 615772.8109 17279.87535 489353.0181 137878.6787 67143.55319 396346.403 824772.9872 164282.6231 427399.9456 201767.1764 914466.9665 258097.7051 21369.1938 469675.3579 471708.17 518734.383 319440.7486 313212.909 523864.054 635464.5009 1904563.174 406996.0062 273654.1713 542125.5991 645617.571 400483.7547 649022.6532 362171.5606 104640.7939 1470916.936 1265380.794 845782.4815 780539.2475 2968050.793 2735865.084 444444.591 2364863.794 356885.1668 634264.1635 1865956.523 325918.3667 595901.9628 1038900.892 241137.6145 180743.2477 1945382.277 388149.4457 849329.2653 829857.1451 39475.11774 503475.5725 163553.5401 15534.64668 1040420.953 696653.5378 725778.6019 1041214.965 682866.793 706272.6142 1034398.166 727165.9158 921792.8239 326.1729794 352.862932 263.060691 213.2466178 205.401798 213.959632 TG(49:2)_M+NH3_feature3 6890338.31 3292729.201 1508390.646 3382711.103 10600959.18 4414207.866 2922428.119 4039212.694 8303113.417 2825987.215 1108682.465 4109833.604 1075973.576 1067945.84 2388278.625 2000924.528 3986493.562 2114741.718 1880359.457 2839079.359 4282025.725 9618656.086 2067139.205 1719536.673 2267862.795 3591233.895 2163854.849 3763560.098 2309731.409 409566.0474 8966413.728 8610348.557 4951142.008 6258977.496 3083237.954 16480856.77 3061355.3 13195417.56 1926464.592 3499636.231 8466222.662 2171267.556 3034547.517 6803343.293 6573029.273 1138577.097 5713491.515 1331087.505 4168319.687 3530491.508 3657971.893 3400961.616 910461.9313 1098277.524 4291147.726 4553280.617 4617733.641 4338916.019 4523148.876 4430898.665 4519139.771 4526919.453 4339863.368 368.9584416 301.9280046 297.8258113 383.1618315 306.7362823 332.2246507 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 8117927.151 3130145.44 1277688.86 3484002.845 9167641.449 3683127.704 2916832.864 4038556.201 9017861.297 2839912.193 1132790.966 4690344.78 1298647.784 1267521.577 2597038.892 2095649.358 4191379.043 2415251.462 1827665.359 2841472.349 4827563.617 9583339.522 2082148.207 1506811.928 2639693.021 3666470.649 2128782.567 3956126.226 2560824.663 447216.0303 9798254.125 7644844.576 5327917.619 5723724.788 3354225.699 15743873.59 3385909.485 13346625.41 1944208.169 3501195.464 9492212.589 2286821.303 3904084.71 6737717.196 6970611.547 1378406.418 7049455.38 1677809.347 4886030.841 4210571.838 2458060.121 2317273.999 739215.9354 744573.7742 4652697.259 4559889.919 4456036.026 4492001.996 4473829.318 4438910.901 4691614.879 4744930.151 4400356.453 285.8865988 410.2058276 294.9775897 279.0906998 273.6928104 291.0955868 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 909106.3256 1070637.924 546897.4165 967395.4187 1127877.5 1247506.917 996422.4073 1388361.765 1356139.371 972549.6338 499038.8412 1221791.788 526356.82 634598.6545 881792.6721 701413.0616 1083126.002 836970.1953 703020.718 905740.9056 1269810.788 1099393.366 890332.5251 690626.4575 979021.0256 1038724.929 809950.4135 1281180.235 848483.79 279658.2578 1303420.59 1153158.842 1330905.069 1286437.583 1129714.444 860122.7092 1194230.615 1032008.437 746547.3374 1096229.871 1259451.176 818745.5926 939762.4238 1079714.375 1210471.763 562577.5669 1427789.146 589747.5337 1243963.666 1194003.141 797939.8226 947933.8602 412961.3716 459568.9749 1307600.436 1386132.63 1151243.253 1298662.97 1262381.889 1215715.866 1318330.802 1431160.522 1218657.932 263.3548151 581.825427 935.2058865 616.1327834 1209.313787 688.996461 TG(48:3)_M+NH3_feature1 55816.51823 22783.4601 12991.07481 28178.81793 84105.90542 27481.6246 22587.93522 35105.58703 104063.0876 18910.20225 15241.17535 72539.55745 15812.25955 9342.319864 29893.77528 22853.60489 67452.14038 25895.48394 20835.05301 28883.84892 47857.75462 145681.7877 21532.1309 15791.88148 22230.69541 60133.73936 31550.83603 56790.52028 36067.52716 6769.505133 133345.3742 160721.0423 41817.04973 67969.68528 28159.91507 404307.7185 32270.92503 230176.9153 17155.14885 35548.64092 155064.5617 29664.05072 46840.11783 75178.16372 68400.96585 15893.11136 101602.2556 15639.85389 48921.21119 44248.11626 44018.45849 35715.07433 9389.920497 8154.416238 43580.1545 56364.00905 39043.58143 50484.19427 48269.19334 46197.49884 46679.20373 49849.30489 46210.37679 266.2666454 265.0171406 304.1915889 181.1529335 213.8803592 222.5272911 TG(48:3)_M+NH3_feature2 7655185.595 2532040.751 1100552.408 2450898.391 7694841.798 2735681.177 2403000.971 3924351.502 10364756.13 2516439.824 1424087.946 8121493.496 2035589.273 966338.1851 3154056.379 2948977.478 6635688.904 3335527.239 2453136.997 3403075.261 5280030.386 13105830.59 2214073.718 1365126.387 2836935.898 5365432.535 3045975.53 6032180.853 3887760.695 545508.7293 12658424.95 10716110.64 5848015.935 6872266.867 2908789.305 19912155.83 3461323.24 15397808.69 1708380.285 3093919.281 15067027.83 3888930.681 5159824.943 8285562.362 8409489.493 2048721.85 10166360.47 1951160.047 6082134.814 4765011.205 2590235.921 2465889.126 585041.8016 665323.3449 5161188.39 4292753.925 5043498.121 4621241.279 4833117.277 5055346.45 5030531.091 5014204.173 4458281.972 328.9041816 321.4087932 334.7265788 319.1492414 334.1801985 334.0425584 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature3 21478805.06 11524354.51 5891461.364 9210968.603 20194331.09 11022706.03 10640230.86 14791647.71 25726897.86 10976321.88 7964155.791 22784324.57 11453549.31 7062823.812 10805544.09 13905783.38 24433261.44 12583220.25 10298707.64 12313883.92 17098067.3 28133263.91 9681089.549 7282718.928 13474803.42 19852804.03 12099383.22 19216383.45 12232591.04 3415000.363 29940969.44 33487979.99 19077043.29 19589091.05 13374633.17 34597801.11 14596608.93 31893891.26 8598593.956 12223429.77 28771049.31 15696643.15 16613597.56 23332475.87 24660167.65 8690076.763 24875510.25 8468713.085 21247528.74 17211416.02 8840467.644 10252263.27 3473990.591 4002719.248 19006231.79 17913046.59 19774175.69 19173435.15 17394794.66 16814951 19671339.21 17829763.93 19781310.8 1063.704238 1261.221031 1088.988716 774.4429888 506.0375679 481.4065116 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_feature3 19694615.43 8745445.213 5390516.372 7893978.17 13172095.42 8303477.495 8996773.599 13309609.79 20435516.4 12261754.7 8999761.077 21711659.3 12659175.33 8123181.27 11229708.49 12623781.97 19484382.09 13088928.25 12052179.59 11262943.77 17679754.16 22893790.13 10227830.4 7804159.91 13403650.64 14872885.01 11851483.53 17770253.74 13593057.72 3966577.991 24163176.06 19111852.19 17026024.02 17172774.14 11848076.21 20473361.03 15360345.8 20082315.6 7875024.679 10570952.24 26908085.1 15182525.16 16175877.12 17618483.06 16816618.01 10983498.24 21976688.19 10353812.2 17383572.86 14836986.19 6721838.471 7105348.407 3556958.687 3915764.225 14496735.22 15072282.39 14917916.63 15975422.76 14325599.76 14813973.54 14580882.27 14731577.08 15276720.92 946.3939835 1345.881644 766.1116222 1000.577338 836.9795328 910.4985065 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature2 68941.75264 64480.0394 50704.29816 56369.57957 53822.30088 62572.97525 72725.98823 45306.80714 73608.30693 83960.31921 91771.59161 70277.60358 113975.0529 64372.58342 56195.96021 81392.45035 127164.683 62953.69674 56872.79767 37228.15524 71768.081 72722.79151 81194.06898 58756.59808 42873.7175 65451.70117 66611.2557 67554.54301 47339.54948 36147.10095 77177.88166 75120.96057 80210.19864 69780.8128 97259.2516 57888.55004 100123.0886 68395.07698 63974.01521 66354.8937 64867.30779 60513.9251 63866.634 46802.65486 70803.81711 67841.43327 85580.5991 36223.56198 62482.75179 66406.36374 61219.61351 61392.8437 24107.9357 34739.78432 67728.0289 62202.62609 66003.15255 60763.33828 63233.71611 62243.78795 66539.70301 62466.3762 68588.39347 94.0644351 95.80535714 102.0965863 180.4721605 178.7372942 185.0110653 TG(48:0)>TG(16:0/16:0/16:0)_and_TG(14:0_16:0_18:0)_M+NH3_feature1 10772727.69 10066512.93 5807712.199 9920099.519 10983511.5 10094349.08 11337542.47 14789661.04 11892839.06 13258369.54 7717704.389 15965498.21 9549523.961 9699619.809 9845725.382 9131477.464 12924615.92 11118639.79 10483673.27 10786145.49 15358080.72 11543369.23 10327150.52 9084550.524 14141612.29 12673185.17 9900240.166 14126592.21 10853997.78 4627757.55 15528679.94 9225627.32 14542055.71 14502683.9 13147150.18 5480300.546 15540375.07 7459520.563 9374200.954 12591615.78 11254872.24 12478930.26 12621497.16 11937207.81 14101951.18 8785395.49 15813340.05 9196627.82 14462302.6 13653050.38 7127131.585 7410683.108 4884697.184 5137965.491 13495246.02 14338329.41 14070877.94 14321781.79 13493783.12 14539911.04 13566443.61 14433918.22 13666343.08 9029.366002 26325.17701 31083.71487 11759.61829 31519.12432 33945.43109 TG(47:3)_M+NH3_feature2 93830.979 31250.85171 16425.89903 35668.82083 109398.0441 39852.3759 36607.62569 70954.47553 167131.5069 30402.57221 17812.14563 87090.19674 17145.23191 20881.95012 35484.72387 34278.20167 88845.8171 34497.91048 26321.48019 49625.9947 54714.53193 166206.4598 31163.36092 22066.77813 33452.51066 74977.54941 44127.48558 63266.43188 46170.63611 5671.935943 177964.1299 182813.9168 68571.39473 93818.4829 40659.0585 392674.8741 40581.23432 259922.2007 22816.42074 48398.28413 193564.4373 34353.50564 60451.01294 112936.8588 104396.0973 22040.87243 126375.0087 21891.48864 70845.82882 62895.76229 39524.37563 45389.91411 12648.35532 12538.91228 56674.67752 64083.40955 66523.4147 62942.13054 61425.98136 61887.62968 58860.55687 69140.45624 57770.77609 339.3466989 313.7351088 324.5137248 304.7923263 313.0451813 331.3000853 TG(46:3)>TG(10:0_18:1_18:2)_and_TG(12:0_16:1_18:2)_M+NH3_feature1 1489272.353 551328.997 329271.0662 638761.6503 1437448.577 756028.2679 561172.046 996598.2022 2280790.827 536813.3764 269815.8422 1144459.738 304842.9948 185725.8587 500631.4443 385516.2252 1208460.428 508617.3957 333724.3155 630422.706 850946.5113 2142971.854 438212.6024 288042.5473 470254.7692 952541.3665 517504.6757 955794.2919 547761.9237 99168.23545 2576298.631 2221250.031 1071306.147 1549222.18 679559.2445 4731181.388 704081.7215 3476232.243 407273.064 659757.4455 2166334.139 540819.8356 777847.7497 1230802.506 1135997.866 317945.4339 1643390.488 303118.4388 884829.5864 708189.6748 657516.276 703052.5484 167737.0915 191007.9436 962843.8988 956355.1367 928618.9882 942159.0889 942619.9881 916724.1735 963836.1058 956996.0878 951669.7864 237.7143194 232.4664182 230.7907105 281.9818905 220.2704766 254.9208855 TG(46:2)_M+NH3_feature2 3757522.537 1324682.37 538818.4775 1168826.215 3874313.972 1410197.875 1267194.449 2157454.434 5214400.645 1213695.858 757204.619 3479904.828 1022381.9 548242.7123 1124352.879 1292174.847 4255437.512 1308108.208 1015294.917 1625847.891 2583228.076 5866755.126 1133328.521 679183.6852 1136086.121 2522748.499 1291509.43 2792524.112 1492152.833 240847.1387 5926182.846 7090630.007 2851388.746 3495542.706 1521083.993 11517611.52 1633281.344 8281802.655 855211.4131 1659862.558 5931440.471 1679103.941 2177683.52 2887928.941 3419746.309 838256.7951 4393935.953 668507.1229 2220611.527 2262916.667 1292982.028 1366020.728 301305.3521 335401.5137 2405603.066 2405889.843 2425563.949 2444376.021 2323871.419 2462468.422 2377430.131 2552877.912 2317169.586 281.2319725 282.0386449 297.9590951 310.4451407 325.4681365 325.7372907 TG(46:2)_M+NH3_feature1 254679.4039 120788.1181 76190.14324 123276.4641 224439.6968 147452.803 133880.3159 225112.1115 371973.9832 125317.9305 59417.98509 171132.7589 75242.3128 39139.26243 78149.62542 91506.0078 217769.0517 87900.25402 55080.07789 111291.3544 138735.356 304770.2247 106663.8114 61775.09332 108947.8906 146280.6031 79091.17065 151559.6604 76387.33887 20668.78461 398791.5218 369408.1255 225799.9093 258194.4183 139867.0075 533640.0075 155937.9125 456818.9775 82788.614 125948.0027 277206.0342 93862.39311 119874.633 131714.8953 183205.9626 54771.73554 235704.6337 50617.59153 133896.2655 131145.9688 135819.2757 165320.4915 44195.33533 53733.2014 184561.203 180086.2471 157394.5737 170394.8787 152145.2662 165987.2601 166460.693 171195.0216 202115.2048 202.3952913 203.6039261 236.2091977 334.476154 396.9071407 422.8696217 TG(46:1)>TG(12:0_16:0_18:1)_and_TG(10:0_18:0_18:1)_and_TG(14:0_16:0_16:1)_M+NH3_feature1 90716.80649 34446.07637 16595.27657 30450.22702 66016.13905 35833.77838 31232.41013 59908.70515 99539.91415 38793.04818 20488.60249 73009.71978 27777.69973 14194.0312 27122.39215 29760.78841 80843.39281 34244.69826 23646.94351 33667.63911 58318.84675 79364.66152 31038.99877 15627.78907 31742.37503 52601.10281 32380.3607 57028.85808 31936.48309 9376.947927 123011.3613 72259.12568 70616.25988 82640.75039 41870.5319 105414.3534 50548.06749 113488.2685 22592.97625 33415.03228 97442.22319 46661.09846 50913.4374 48535.98817 55798.48961 25162.71348 86853.503 19653.32518 47948.47246 44328.83364 26518.23554 33979.07114 8657.584218 22978.45947 57239.87331 49904.63502 52814.95447 55983.26063 54104.95638 56603.60226 51979.37551 55849.72522 52337.62138 140.1080143 137.8430161 144.5339292 261.5827467 267.732229 283.9718381 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 3965801.296 1284483.713 629050.0826 1076196.245 2873607.021 1358608.498 1333882.619 2355767.086 4915673.419 1752808.972 1299519.729 4942117.01 1910892.027 1075124.728 1719205.602 2064703.73 4795121.89 2298282.26 1782283.75 2053286.937 3176626.279 5070752.776 1452278.247 898316.1378 2023355.147 3191246.063 2053402.456 3684648.817 2337019.279 410541.7481 6337080.222 4706914.536 3329637.936 3748517.233 2000022.881 6159680.26 2528975.245 6118999.475 1095732.448 1664723.75 6319631.028 2708513.495 3249502.626 3659296.546 4031404.248 1631066.303 5763602.763 1302729.368 3654543.555 3207802.201 1117631.383 1185966.088 346797.915 380920.2725 2902344.029 2886440.481 3026460.586 2964814.517 3058978.676 2773626.631 2952507.009 2927253.028 2959795.511 254.1064059 248.2282861 251.7876948 368.6333813 258.5584478 806.4018083 TG(46:0)>TG(14:0_16:0_16:0)_and_TG(12:0_16:0_18:0)_M+NH3_feature1 1501931.924 927912.8327 628501.5602 889649.0017 1064480.81 844820.2925 1118318.584 1586194.35 1698016.473 1413107.463 1270949.763 2450039.737 1753569.187 1214652.839 1194407.897 1484651.11 2501556.873 1525649.103 1409403.449 1297873.637 1893862.941 1737815.582 1374690.163 983071.6556 1486825.137 1654251.098 1410560.271 2060212.263 1378115.223 579899.3505 1980521.975 1713963.486 1792497.882 1771450.953 1346532.27 1092874.924 1792403.577 1183842.673 978139.2598 1195926.115 2004955.9 1590586.699 1601893.423 1421776.167 1673408.107 1186418.65 2263402.223 1033681.139 1855438.496 1524602.461 756674.1905 761469.8344 464434.3276 501029.5992 1612619.389 1639860.663 1555647.153 1709374.544 1648379.209 1660742.157 1616142.861 1630117.488 1599213.396 713.2912505 999.6168627 1607.432139 311.8732839 2046.95036 1925.812609 TG(45:2)_M+NH3_feature1 70131.32273 46107.46242 11179.62799 25085.56854 74090.05851 32015.57577 25753.5931 44252.50106 119553.7515 22727.79048 12800.63949 54742.59098 12640.62389 11620.26569 21739.80231 18140.64229 57724.84441 26267.32152 13580.17316 31725.32323 36782.4072 98555.31747 22373.79457 12768.25943 22800.47479 47807.9387 29702.3115 45269.26949 24005.91155 5467.452122 117882.2721 116927.5924 49724.19214 68740.4233 30658.92096 291679.646 32362.43723 184731.1805 19219.91194 30936.59352 107445.1741 21028.40606 33683.33148 64171.54468 56939.30042 13183.9769 83259.11685 13014.43174 44060.12872 37632.67975 30038.71473 30686.90333 8174.539817 9288.674459 43652.30645 44217.79933 40762.12243 38209.36594 40495.10041 38321.85329 45762.94532 45804.05574 40152.22528 320.0222577 296.4648726 307.2677585 330.6269808 340.1913526 360.6793154 TG(44:2)>TG(10:0_16:1_18:1)_M+NH3_feature2 1403641.635 480640.4539 307752.7021 564114.4126 1105242.019 685482.8516 580566.9572 1036109.343 2152646.062 527628.4548 265863.8869 985190.1821 318561.4734 172551.1188 394565.6443 344104.1485 1245968.867 444840.2144 264836.8425 561294.7451 786531.2489 1556659.77 471514.6659 271940.3442 422171.5878 785578.9725 470599.9109 755288.5235 427173.7871 87112.0372 2372615.834 2265687.668 1061779.659 1507874.554 618965.1589 3950370.015 715030.2715 2998929.397 367090.1153 641271.3947 1661514.062 458854.7955 613157.1576 894218.008 844916.666 252080.2715 1298218.815 217091.2688 727449.3117 584080.6375 606429.8324 678810.0095 154188.5798 190575.9426 865475.7873 860230.8336 820762.1189 810834.0641 826890.5295 803234.425 835455.2969 840551.8813 880747.4031 244.1384642 255.9606433 241.9783497 246.6641336 289.7414973 305.5276109 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature1 56215.95711 18314.68731 15241.88107 18560.88922 27458.43799 26866.47406 22327.46795 39342.62008 60785.67215 22756.20283 14430.66653 54253.13633 26900.68992 11628.27102 19077.04498 25918.44101 53465.82012 19724.05273 15204.55064 25408.63853 31942.52046 49776.2406 20219.06199 8436.752722 17752.99567 27285.5189 12679.11796 36263.02298 21111.38451 5792.822626 76485.34424 47274.45233 36150.11644 35234.2376 18924.37457 60636.88706 28997.13945 58620.98026 11664.59709 15159.00436 63466.4917 27647.67674 32227.89266 24472.57154 32357.73239 15364.80165 51560.49854 12436.55431 31970.82611 23940.14091 21830.66413 26069.464 7865.017816 10272.04404 31601.22054 32765.02248 30396.37962 31555.56136 25813.69801 30700.01439 29412.71055 32736.87088 34470.34289 276.8591006 215.9521196 216.3222884 373.2337748 386.4542163 452.2649386 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature3 893064.2052 259853.6572 103644.1766 247167.535 707708.0747 278960.9166 264749.0689 502853.8515 1272695.466 277958.7045 143246.6397 782618.6284 217500.9901 127389.3171 242576.1893 244632.1168 815560.6792 276140.8132 190354.6036 298095.5419 548741.0369 1155637.629 246269.0903 121094.5408 270349.3741 494587.1514 256794.7853 529115.4787 282849.1127 45826.9171 1494399.438 1140992.061 671326.8665 834159.8606 330495.4062 2421522.913 420990.1052 1748217.083 161939.873 299778.4227 1370770.446 352375.7622 477131.1202 606163.9722 599333.3978 176650.2833 944214.7749 137432.6267 505990.5386 419423.6907 228308.8302 259704.3111 54932.76231 61285.28368 491544.6967 463695.853 488232.3032 482304.2982 493158.4162 485641.4222 484749.513 501565.3724 461717.6062 264.5050736 375.9555667 294.6739444 323.5776213 297.3100562 297.5996978 TG(42:5)_M+NH3_feature2 29123.88923 9358.621264 9509.384338 14958.48575 17759.24008 19292.4 19559.12789 24829.31155 61778.96331 11443.8873 18532.49076 46273.12699 19398.96387 13555.40173 28101.79556 29019.74425 105186.771 25053.80082 8459.444452 52275.9067 9441.134554 28498.46244 9690.822189 5758.973247 3609.475446 59462.42495 30966.85538 41068.0308 20425.57023 8151.65391 16790.80867 92889.49019 10708.49858 20374.11212 7623.707188 139799.3812 6921.17046 13915.38468 6599.88998 13837.16791 45031.03271 14661.44507 23603.46933 27005.63828 31632.98836 8592.194718 35213.58921 1915.492776 16775.92929 31110.80461 19865.35448 20560.2872 7350.539515 8973.507178 25701.04839 25538.81463 24708.56729 23513.57653 26184.53175 25947.54179 26388.77984 24262.33497 25032.6885 222.6476965 240.7500506 273.2600926 236.4219274 257.1556842 290.1473503 TG(42:3)_M+NH3_feature1 84420.87951 33340.95101 27440.52237 37130.65272 63217.96948 67001.57395 41019.80167 65369.55421 136138.1494 37073.2949 58386.76599 149079.2232 78751.57223 37804.96753 91858.3336 90821.29191 336819.3551 68861.3611 33980.63189 153154.1217 46726.97339 105201.7295 34023.40584 17532.66961 24697.27738 157987.1195 97128.49151 113007.0156 84330.49039 21489.69411 83658.62523 212070.0754 35768.43332 57216.69899 29067.62284 326110.3784 27551.35989 83738.38127 20975.92786 48069.09921 235103.2925 51553.79748 93679.06906 110198.9348 122075.0276 32169.01328 176032.3669 18898.85058 61453.46616 96340.55335 49623.54869 52489.65156 19650.33584 19927.27614 72189.29064 73860.66204 86341.02178 73324.32275 79014.55654 72737.07702 74229.03601 80182.48548 74028.81348 265.7800409 181.1804784 205.8350667 250.7192278 208.3136848 252.3781974 TG(42:1)_M+NH3_feature1 302340.7563 97202.25587 71233.88415 102283.5239 173669.3106 163114.2035 107969.0933 235778.6031 447016.5385 102675.1994 69782.00151 310915.1693 113674.4457 50631.00812 102516.6844 98548.51715 378808.9637 111539.7614 67469.54928 138078.9065 172434.0435 312936.5745 103599.3221 45995.7206 90010.65539 202378.1173 131092.3957 215934.5346 115011.8939 27340.23396 516776.2979 397936.9772 213614.4884 299376.1579 110327.4314 681294.9337 147884.7462 469814.8885 63613.73258 103796.7255 436762.6186 127401.5943 163501.1317 171957.109 166506.8235 76981.28418 365793.03 60850.28284 174896.7715 133536.3811 120236.5446 125935.5294 36385.95658 44040.09301 178893.3874 182826.0987 176623.1872 175471.8057 178567.6714 174829.6968 173700.6296 182879.9708 181480.7445 245.9751373 264.8217129 263.0011193 265.7403531 341.1271264 690.7989262 TG(42:0)>TG(10:0_16:0_16:0)_and_TG(12:0_14:0_16:0)_M+NH3_feature1 169555.8108 61638.88624 30628.67293 60510.20756 120230.938 51119.05785 61842.79679 107777.4787 231141.45 62553.54862 41156.34714 140027.8633 50888.00918 37115.09523 52162.39124 56594.03647 153390.59 58048.54183 36562.94773 72392.54267 114109.4592 190477.2546 54549.35899 40331.19733 78461.73923 96323.21516 61565.6236 95548.59026 86359.83776 20693.42246 245969.8939 227270.4683 127663.651 147631.8381 70006.23798 359988.4615 86865.03035 253040.3836 55841.62936 63293.45283 182141.4503 61457.19028 78775.20708 90150.03699 112073.4718 47039.12105 144660.6631 45400.3505 97461.72004 84386.41233 45818.28392 51926.92665 37788.58013 22964.78833 86932.61129 92463.61947 89882.91236 87951.77619 85404.42335 87774.63835 91394.12031 92900.31795 86153.00826 7021.792314 14040.46029 9322.130738 4706.568676 3820.160272 4137.546998 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 1002033.204 277305.8154 228054.0629 381871.228 607241.272 619812.0993 388243.7975 646261.4298 1612675.348 379897.4183 413186.7765 1247148.748 513323.1089 256896.7143 689206.1406 759197.4243 2083598.668 558212.9709 264797.4004 1165882.856 370158.2986 1077873.991 235489.6728 183663.6945 218011.5539 1078500.825 717450.45 1082730.325 670124.8737 149550.0548 724533.6148 1413250.697 394458.5877 522225.9816 337361.9231 3431218.226 247782.7576 755813.2831 168966.9993 343395.1446 1977741.053 444424.3455 792301.5 857145.2958 1014838.47 264154.5034 1450420.905 144422.9422 508390.3909 850546.4541 397835.2268 436705.0543 144997.0259 149593.4527 756605.8828 721194.396 742677.6471 757694.067 736545.6392 721792.9597 725152.3871 753108.4573 752720.5374 292.4310696 265.2311613 279.0129202 224.2675219 270.4243876 274.4108879 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature3 678235.5611 176169.7245 163020.778 237262.78 305272.5344 435340.2482 276453.4775 512132.3346 1664527.072 243774.6654 303431.6184 1284288.031 485351.2232 198755.7346 538160.5885 697993.1236 1618025.879 374825.1839 220368.7007 841998.5641 379364.3706 823417.1393 168873.2649 106541.3442 103402.191 787752.6657 603243.5645 1069427.387 621469.1645 109929.2818 551202.9735 1103416.979 327249.2163 319978.788 275436.8006 1855235.159 154543.6923 441283.4067 135879.6038 276674.4874 1523782.231 225561.6192 535520.9599 533280.0458 649565.5348 220989.6776 1187078.14 130048.2948 420870.32 607981.8771 252652.424 256024.6141 113165.3111 100594.0859 495797.3712 548028.5265 489252.0315 452447.6408 446786.9687 615870.5823 423669.5078 425135.04 582080.6239 350.2458451 238.3985988 270.4288067 291.7319692 241.9390102 292.5700655 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature2 310326.7528 152004.5483 125691.5771 174039.3242 246472.136 205513.2514 176491.282 232572.4049 457742.7021 164397.5518 197523.0265 413956.8379 233442.6839 137869.7717 264318.3897 291783.8586 725243.2189 240685.2616 148103.6399 339140.212 194814.491 367521.738 141865.0352 136369.3436 142208.9065 447565.8119 329815.0173 337786.506 263210.5189 98999.82235 257798.0886 448026.5142 172468.0306 253942.1143 174772.8691 737889.8604 130790.9882 280882.5949 128486.2205 205430.164 509459.5696 197375.4224 273989.8087 309786.4127 341539.1385 136378.5953 430923.6912 119503.7627 226153.4753 345458.1506 164828.0083 198220.7811 121642.1145 130186.3809 323439.947 296959.8152 276784.2038 272106.6097 248411.4313 261841.7939 291484.5137 298166.8047 326529.3183 580.9469975 527.3546857 555.2248661 470.2576312 637.0832395 576.0775875 TG(40:1)_M+NH3_feature2 327834.8889 92114.16286 87115.07553 130288.3333 165815.33 218731.1442 151484.2353 238711.8268 615215.0779 122900.8897 206360.0833 463377.1096 257975.8919 103279.2831 248734.9983 279091.8205 1071676.097 250186.067 105676.211 439464.0958 126314.8278 280463.1816 105687.654 59951.16555 75758.10642 454874.6354 293877.5947 412630.1116 238696.2423 65333.26818 285358.8847 562686.147 130840.1429 177771.8991 101802.4092 1032156.96 94681.9765 254926.1763 66238.6204 138327.7155 813748.2865 194725.3211 294488.8521 272981.0862 364552.1005 114797.3802 604476.2981 59154.78764 240453.0676 362163.1826 135030.6384 144065.45 55124.93947 57582.475 268307.8313 247668.24 270840.7536 259432.139 256487.4009 249938.1062 250507.5735 271998.965 263761.0225 212.1201521 178.6741833 185.9527666 199.4673717 193.1417026 215.3126739 TG(40:0)_M+NH3_feature1 75090.76642 38771.36834 36307.17205 35962.72656 45817.99227 50887.86405 44556.22063 70479.21253 117923.3704 37015.71795 35930.04241 71637.65551 38408.41683 39867.45177 40975.87578 37117.1206 85487.99854 42965.21724 34651.88562 61231.97612 51455.06567 77047.15321 44204.8947 34372.51076 35922.45321 63953.42859 53024.44138 58069.84958 40526.46652 25805.54008 112825.5054 96620.82669 57157.3644 77523.65541 45224.31248 140231.792 54579.51419 103832.3796 32239.87061 41649.44403 101403.7791 39785.36239 55108.6336 49557.31395 43326.69407 36794.34724 85479.95736 30009.17408 53865.6091 45166.62883 46305.69067 49399.15347 28557.50379 30511.75838 55526.36628 55897.38823 53971.26703 53447.56044 53393.9891 54382.00474 55407.73151 55142.41507 55179.61536 5699.152787 5346.427558 6275.547694 8825.550264 7351.159398 7394.378975 TG(39:2)_M+NH3_feature1 39340.30704 12838.02969 5921.869385 12891.60674 41437.83357 19271.81706 13255.70568 17470.684 41849.8362 11169.1493 14455.95501 51964.7022 13104.28072 10204.01322 22905.41862 26813.83864 66862.16758 23843.51321 10888.12764 38792.89754 10579.18234 40940.44903 6488.373765 4484.068235 6370.950601 43913.32331 15467.0975 42427.52866 16010.90724 4904.900236 27051.54754 51658.48214 10203.22486 17336.1816 10638.75139 166068.373 7782.284677 46730.49904 3924.036552 9131.427489 54414.04476 18121.47415 31974.14228 37145.49068 29460.25092 5605.18117 51247.77166 3696.157916 20315.13574 26573.28549 17261.89075 15706.49932 3937.422752 4702.76668 23467.42856 23000.47573 26943.49786 23104.71857 20982.91506 21676.74933 29054.42305 23979.67058 21806.99953 404.8239445 822.092166 731.7614369 370.8962432 863.1698291 890.174657 TG(38:4)>TG(2:0_18:2_18:2)_M+NH3_feature1 92996.15921 54077.33033 42676.48118 83497.8264 201141.7434 86483.49307 39804.41434 47898.45875 116290.9657 25706.74749 12573.46448 46584.99946 23197.66565 10400.42958 49565.04746 44470.7719 107278.4338 25324.4598 13989.01204 67691.77229 46277.23049 171287.3888 25824.45114 17576.86769 26570.73796 62295.45583 35311.45844 72217.90229 44036.6492 10226.93304 92606.17862 121433.4753 50219.69515 58084.65805 39000.64782 451324.122 26132.77402 226900.5661 31217.28521 47203.67433 128773.6675 26564.99339 45541.23363 94314.24384 96516.89367 11620.43125 66738.21924 8092.346791 50725.59904 54802.13178 37123.45409 37544.6432 10425.62355 9931.69251 68640.38374 66229.97761 56308.35625 66644.72996 60403.31564 65637.97079 62350.12249 62081.14606 69287.74537 383.1928418 224.6730953 215.0962337 350.8278976 244.1585049 257.3916721 TG(38:3)>TG(2:0_18:1_18:2)_M+NH3_feature2 391048.4214 248592.2286 174517.1228 322337.0933 786852.534 456541.9589 160886.8591 227024.0284 547976.8459 137921.9508 108600.8275 363675.7538 148521.7221 86629.5167 280507.8749 230007.9909 586394.721 154796.7712 93974.20581 369324.3519 199695.0909 643857.3741 118760.8703 78646.86027 105654.8745 428387.3646 218934.7667 438757.6192 232415.4124 56133.47074 426832.7087 476429.0057 255082.6086 294510.6454 181839.3628 1699421.294 123466.7095 819943.2341 119095.4831 189235.023 663603.2934 142624.8339 284040.3761 429866.1836 457094.4546 82058.43905 503215.7079 56140.21927 237023.0915 281467.5319 153616.6454 163608.9347 57192.29799 48991.32705 285335.1462 331640.3746 290996.8503 371529.7409 296752.2574 300784.0358 306878.7969 320002.9796 305046.7111 260.4725474 343.3913978 343.565744 278.2848895 358.3534668 389.6623295 TG(38:2)>TG(4:0_16:1_18:1)_and_TG(4:0_16:0_18:2)_M+NH3_feature2 1627423.769 521216.4836 468247.9516 647832.0305 1144928.031 1052016.172 676693.4293 1055927.111 2710518.096 597905.3197 819195.8708 2361921.73 1058122.302 449514.6851 1237302.318 1508730.35 4051724.368 997547.7204 478630.2675 1998146.094 716829.5291 1767901.847 466272.6859 307441.4627 375115.5897 1990274.473 1394227.251 2108972.107 1170821.004 299919.4556 1248672.533 2679849.452 711971.8724 892095.9217 543824.653 5366580.109 439627.8488 1360031.946 306891.7348 563193.1115 3538539.823 808270.2295 1315352.624 1461187.909 1673101.415 460697.2498 2497850.558 240182.5754 848888.1378 1519810.059 595835.0149 656504.7782 240042.5484 271267.1157 1348987.434 1192259.832 1345627.61 1365091.704 1293702.654 1196285.736 1260800.935 1345696.613 1325330.39 298.6157272 270.9704478 285.1875254 238.4101057 287.6514852 292.0692394 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature3 62684.66125 25958.48757 19265.47941 38445.93322 84043.93319 37453.19644 21990.28509 29043.41993 64768.25908 28429.679 18377.84232 54636.43053 30688.23376 12841.92133 33414.35029 41389.82739 106102.9639 25837.98082 16777.13312 41063.2173 33803.29884 88477.96236 15762.32702 11072.65881 15505.48495 54329.90224 23732.79393 50052.94103 33485.88141 7691.927646 51297.02332 47122.97485 25364.25321 36807.35135 26406.98058 176013.9019 19124.0196 107477.6575 16709.65842 22242.08557 83540.92759 26554.49348 44991.14235 60982.01547 59897.84438 14009.32832 52568.8817 8434.786415 34430.60219 55586.79581 19301.15345 21186.96464 7693.790062 8743.668886 51810.94914 45670.47845 42777.03059 38804.83826 36831.90558 41051.723 44229.39023 46901.35503 51162.14628 347.1117968 356.5607471 331.6898152 277.4810879 334.6986765 339.7433513 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature2 1144140.399 269493.85 276598.0506 381069.5931 639244.1191 674584.5567 418587.9973 708361.0923 1790452.96 407673.4747 600914.7559 1977625.938 996890.2808 342786.3238 910058.812 1083920.028 3562798.893 804662.071 431290.1806 1434228.437 472685.0067 1060623.977 286384.654 189277.3046 260910.4388 1502996.615 1137706.264 1493132.497 998210.1646 197236.9461 811758.941 1456410.712 418413.9713 587953.4705 347727.7696 2808214.743 326955.9594 780061.0735 182509.4598 352105.2606 2730437.485 625124.2738 1055953.651 886574.5632 1020759.007 416718.554 2337167.616 191570.6848 728042.4516 1052761.599 333805.6201 375112.2383 154887.9223 174747.5986 848593.798 792438.6232 860483.0168 831746.9441 852313.5721 849425.481 835043.9356 842274.0622 814564.7983 339.2430415 269.1427918 332.893397 378.1439236 452.273744 388.5257476 TG(38:0)>TG(10:0_12:0_16:0)_and_TG(10:0_10:0_18:0)_and_TG(8:0_12:0_18:0)_M+NH3_feature3 95827.52771 36326.43188 38074.9593 43522.38812 50261.68043 68119.23108 48035.44479 71004.86998 164251.8717 40995.1762 69025.6987 130158.1446 86926.10413 39165.72468 76509.53896 87290.40613 323759.5182 73097.00199 39148.9108 118981.4087 47601.39007 87925.93768 62330.40257 27242.46199 30021.91853 138429.8419 97703.30187 122891.1188 76296.83732 41591.70612 79830.53305 128247.6391 43180.34394 58314.10757 35285.65836 240988.8884 37771.61313 68154.5291 26691.90099 39458.57397 219292.8651 61403.10359 85773.76131 79545.62449 94982.93584 38791.56587 166094.689 23397.40555 75949.99041 103919.8096 56530.21383 53299.0183 32405.65677 28428.16994 79293.70248 77381.84962 74645.01556 70934.04029 76431.3533 80400.24536 80351.63796 76399.93525 74229.49073 2672.619861 2974.342141 1484.697949 2029.391699 2204.916751 2431.22848 TG(36:3)>TG(2:0_16:1_18:2)_M+NH3_feature1 42878.41231 16843.74947 16642.7153 21043.92195 46368.93259 25053.49959 11649.86024 19508.78205 50432.93731 11761.67693 6024.738733 33171.81659 11332.92917 6485.704253 26851.20449 26017.79352 55625.39122 20631.05975 11137.3652 33850.21276 26502.54926 76336.81792 11552.91827 7535.239284 13237.45591 36521.71446 23401.8589 37689.53051 25900.12591 4784.743686 54258.13538 31201.8084 26075.3321 26666.55737 16364.79892 139524.6022 14594.47189 68681.39452 11087.81702 14183.01847 85322.51544 18748.49513 31720.83399 51761.33219 44259.85142 11430.81913 54294.43827 6407.119277 26339.77492 27221.93252 11807.08475 12630.72746 4023.08854 4852.484743 28179.7174 29938.41452 28749.42979 30336.80946 23243.2716 31121.21046 26167.46558 28568.87956 30671.20028 256.838532 246.9272829 250.8244793 272.5083176 256.3570472 261.8365917 TG(36:2)>TG(2:0_16:0_18:2)_M+NH3_feature2 573846.655 317656.2791 247096.7751 432767.3562 924412.1331 541045.6238 262284.9297 331508.9607 823429.4594 194946.0957 147366.0132 449279.7911 230514.1426 118870.1909 383515.9626 315183.6756 863512.1146 231059.855 139786.6015 467691.2231 302030.1315 918628.3874 164171.8062 119133.7173 162361.8023 493866.7385 304717.8273 535040.0021 328815.6825 85196.00632 658146.6527 721475.5107 343628.3454 383636.1232 227513.4574 2340232.183 188039.6452 1011684.151 186662.2249 277613.5141 979460.439 213913.8582 366779.1505 575643.8311 644962.3253 132445.9938 629949.9181 72575.35045 363477.3716 411694.809 221252.6843 225457.2222 76859.96215 81879.23069 432281.7785 428845.4685 416055.4269 452474.9063 424139.644 430220.5927 426536.3303 435737.3484 427413.662 209.3859025 259.7276083 257.0270744 205.9970969 264.9378067 282.6400534 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature3 506533.8647 239672.8836 172962.3225 257339.6416 646239.065 385318.0752 196078.734 273044.4201 719038.4817 159775.2778 131449.263 531663.087 261526.7778 99573.49741 333189.6313 318346.4252 909959.8515 237260.5223 129873.8941 465543.9239 250771.0472 628520.5884 115032.3104 94602.0989 141993.7918 433182.9225 323008.0898 499727.0317 285407.4205 68677.40837 469332.5983 524121.2931 273584.2881 320208.4533 187054.9962 1662076.782 172447.5467 840310.6252 115664.6196 171534.5683 857596.4173 230797.0362 370951.9554 522269.7304 481533.7385 118432.661 653042.2956 74651.36647 281120.6497 384414.2208 132050.8994 126651.9083 45496.64051 50380.56986 377570.4159 378961.5393 419418.2336 393717.0214 390982.3728 379529.8887 388457.3586 398168.7674 382217.3715 255.1932974 5677.652728 5875.091206 259.2843452 7442.511763 6921.822772 TG(36:0)>TG(4:0_16:0_16:0)_M+NH3_feature4 236989.2901 66887.86134 69444.75394 86708.66362 135927.0937 147628.2566 91045.03157 157680.1625 379478.7929 93094.60061 131757.9937 465715.4984 236170.1034 82512.33234 194680.1387 235746.3238 790168.1991 172402.1237 92145.84954 297135.6028 104830.7519 229162.2009 78454.41108 52053.71404 64253.14111 307027.3034 264854.6824 305699.7899 214152.0171 54436.66976 164991.6962 226938.3871 87000.17196 125087.9406 76865.58912 564487.0502 80318.18743 156538.9233 51453.65064 74483.36746 554021.3272 112410.4942 201652.8406 161922.8345 191277.3349 80059.31796 423303.2474 43573.20869 124990.4651 223674.1481 75657.78041 82050.69705 54124.60376 56788.62497 172068.4751 159780.2769 163318.3031 172200.3024 165965.0957 165732.0395 165781.943 171303.6262 163355.2683 2848.286139 2964.50584 2867.988457 2165.491016 4719.865444 3272.778208 TG(34:0)>TG(4:0_14:0_16:0)_M+NH3_feature3 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2373026.159 2615642.28 2322421.134 2026695.61 2777877.554 2521647.087 2873467.087 3097018.542 2237503.719 2239046.661 2260296.678 1893453.442 2043160.748 2109701.023 1563679.179 2576527.267 2123036.602 2284792.176 2759337.262 2868434.606 2701411.442 2571504.925 2756674.323 2524255.879 2564759.567 3138922.576 2150503.515 2613467.65 1864183.232 3088908.719 2951253.042 2903493.027 3429382.314 2648349.979 2025580.759 2438279.099 2891873.675 2812327.612 3086618.592 2317578.256 1905522.053 2286335.278 3061299.355 2144973.154 2179675.431 3101142.153 2600041.38 2844430.52 1902876.833 2707445.622 2869302.772 2849314.704 2991972.211 2505203.356 2472627.799 2593266.198 2573796.773 2551397.183 2496796.966 2531234.735 2454377.141 2567204.672 230.1122575 363.8459376 373.9530898 237.5831305 360.08148 395.0377809 PC(32:3)_feature1 31873.7454 33565.06951 37617.05242 30176.75075 22554.83244 41074.59695 47705.20222 54338.53682 60929.07705 31333.53686 44697.85075 50718.03452 41712.78086 78272.45633 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373609.5045 312525.5109 532878.9389 386464.4636 266951.8097 413170.582 414735.0355 787821.2173 606599.7008 232226.794 412950.7848 410880.9968 320585.2728 398088.9943 388261.1368 371640.7581 368991.9096 390240.132 251451.8369 362261.1828 370137.335 374091.0144 396690.7278 626.216399 586.6211091 561.4009729 564.2506105 567.4977765 605.3274412 PC(32:2)_feature1 336144.2321 419932.3859 582904.852 660464.8568 512327.7377 714903.9286 448967.8886 577256.0316 708333.861 369443.6837 624815.2577 721069.3231 606159.1458 828440.9529 681092.2468 393375.4274 1159281.714 962665.1413 708433.8966 741481.5555 622045.711 860393.7636 481973.0357 612812.287 524408.2643 687161.3514 987987.4016 567233.1424 733882.7641 517678.8156 736992.1596 510436.9921 528332.8146 862666.452 570299.6741 345906.2054 469237.2945 506411.0525 672082.0038 721669.1275 655310.3728 418962.2552 466588.2657 674706.0186 520541.8976 718542.6347 897944.6544 464581.5581 774974.0403 389434.6735 565273.5649 559048.909 452768.5546 472926.0823 629015.4468 628845.9285 617242.6039 605960.5724 629454.2775 667797.6582 600618.7566 660118.8808 598055.6202 486.0515075 461.5390451 483.1484483 461.6258214 467.0956304 512.9130156 PC(32:1)_feature1 9772032.761 6307709.121 10505661.44 8077891.286 9476815.284 9007943.405 12486598.31 10263430.7 8619900.612 9308997.075 10853954.21 13709423.39 15179128.62 17629481.06 8203895.681 8142803.559 8208860.2 14900555.1 12892626.82 9452738.986 11883873.35 6940217.296 11069272.75 13207770.13 10835053.22 12596317.58 12815529.46 12946334.6 12633185.74 9519239.533 8506196.484 9128968.824 10610237.2 10527054.8 12514231.5 6057499.693 8899726.913 7006611.852 12152851.18 7140997.891 17234719.35 13895816.16 15450655.55 11120656.53 14166071.95 18596563.93 13081764.09 13157828.98 16325791.2 11633745.98 9579588.424 5913259.034 7991167.263 10004506.47 10576124.31 11434722.44 13706156.46 13008634.54 12985140.84 13084810.75 13834150.6 11207798.01 10591538.29 366.898086 354.1047972 510.2664104 332.2490915 344.8657715 1017.828765 PC(32:0)_feature2 135974323.5 128756684 126974614.3 138159356.7 112827015.2 139688056.4 159947417.3 159191072.7 171210623.2 132544256.7 126477359.2 142661964.3 119859128.5 133863144.6 124684704.3 94930513.1 132878610.8 122067283.2 135435573.3 133335690.4 158375623.1 145640319.4 146232833.4 162721725.1 159750793.8 131577328.3 165344800.9 109586234.6 136996130 114647093.7 171224086.1 162005811.7 146342874.2 180171119 147673667.6 128925610.2 163196166.8 149892266.7 146790602.8 170950940.7 139894978.2 123507957.3 130726018.5 139733396.8 131220633.5 136000568.7 163220888.2 138130495 143212754.4 117921837.3 130121272.1 134825828.8 144820324.2 142535062.9 143146713.5 141673542.3 143222959 136696234.5 134141976.8 137892784.9 141014406.8 142843392 143571055 3334.000154 4566.61836 9183.048843 4663.454359 4909.717419 7607.488969 PC(31:1)_feature2 20353.95434 33140.82265 41539.25598 34680.02788 31474.66991 62561.64579 25676.84274 50610.54462 59228.14647 42591.36092 47302.92493 53498.42257 56940.8313 61062.76084 48073.39393 42277.71028 64087.04471 39521.84571 50741.54246 59713.10687 32993.50583 48546.31154 28624.99706 34199.45269 31279.96153 53896.3384 78076.96573 52462.85068 49037.30581 43685.17856 49712.51731 42765.55811 31426.80689 48878.2376 37005.73015 32166.44359 31835.78183 41328.46499 35364.46606 40122.10244 57383.52567 39036.19437 53385.7778 66608.25564 47884.01796 46529.5288 69956.91513 56489.47441 54235.9702 38193.435 36631.13747 32663.83583 41695.89827 53768.6609 41704.9751 43531.43791 45883.8934 36405.99147 49153.56171 47538.75826 40645.18108 39116.66821 44566.74026 189.47267 187.1701128 204.0378061 210.9975303 213.8289915 214.9770565 PC(31:0)_feature2 6170285.454 5755307.766 5850163.778 5767875.366 4386396.035 6738829.769 6708950.755 7405747.877 8047193.364 5603761.975 5491276.559 6004847.523 4938693.172 5289499.263 5145564.912 4205966.846 6003472.125 4910699.845 5834980.884 6512072.831 6917518.667 6647064.956 6443307.14 6922020.493 6512062.799 5878198.721 7564462.49 5016470.032 6392344.971 4551713.118 8074354.267 7305487.147 7091960.237 7832802.271 6126690.634 4981999.105 6522921.745 6745852.849 6962593.072 7707629.239 6001579.747 4884172.689 5829120.041 6871843.555 5503944.861 5551031.276 7714422.989 6533363.088 6291760.723 4570926.021 6797753.101 6411714.276 7674150.063 7431526.708 6471629.904 6450057.68 6032528.788 6286270.269 5859381.76 6318955.761 6541294.472 6306155.397 6302503.162 219.5436148 222.0650485 232.5084396 274.5152115 212.2671622 216.0175217 PC(30:0)_feature1 4692906.159 4137107.216 4827478.599 4740800.031 3669613.906 5837506.198 5715457.869 6053118.617 7173393.213 5180995.372 4917196.855 6043643.307 5380883.736 6560476.958 4984616.608 4060049.514 5670904.726 5476607.686 6085027.202 5687852.448 5290814.329 5408188.652 4525083.507 6215006.011 5820846.189 6047088.793 6844261.72 4816977.156 6053272.873 4742504.905 6987669.563 5562229.798 5621663.449 6656829.094 5755426.054 4425010.245 5837114.25 5208214.343 5565849.58 6893949.753 6653987.72 4314575.87 5556094.442 5946464.202 5171868.855 6293381.999 6880813.749 5662283.242 6376912.879 4329998.637 4680238.838 4866136.593 5402316.189 5659322.793 5751999.882 5458099.26 5796662.494 5567683.505 5478193.988 5473061.014 5762557.077 5611855.301 5670314.374 244.8695864 241.4139447 262.6470926 231.9620743 234.5110589 235.2029237 PC(30:0)_feature2 76060.945 51461.51823 52247.49969 47914.68643 36970.38027 69725.39306 59905.57268 64971.58494 92758.83103 45337.13495 90895.11361 76152.79337 96092.26245 92353.75163 81909.99125 58435.69888 85099.23805 86475.38287 110383.3885 65144.49082 46667.85596 60282.72112 76446.55955 83225.46445 76344.87489 100845.6692 167570.8231 65241.15277 61146.17143 49261.88374 72404.45286 67020.17756 100670.5255 94941.02734 53386.24534 49562.27087 52263.04946 52336.43662 41941.09365 97572.49513 77216.1837 184492.8176 87870.46291 91481.67296 67533.94666 90183.93204 114705.0585 90206.5202 70605.4547 55447.69596 54064.7349 49667.53671 120990.1802 176714.3559 92578.29716 53703.72104 85674.79764 53351.17862 84891.19387 79155.1024 75710.10122 72257.53399 74974.26588 281.792345 200.2848163 210.6165641 214.3438356 174.7300606 184.0312402 PA(34:1)_M+NH3_feature1 67363.59323 34557.56219 68905.59292 50286.95482 43279.45714 8189.973248 59303.58079 47664.35168 82751.14152 49220.28518 77875.73594 45774.39174 54102.99493 75141.60353 64558.99833 46155.64635 74721.41322 63252.9647 54141.21335 80147.8643 45608.4463 24575.30336 46268.66474 65153.61808 49952.54177 68903.73776 105844.6979 67027.24929 74115.7598 79147.20158 76392.50113 62095.35684 50264.18868 73589.33336 42269.05084 32905.92329 57122.10589 54769.05209 40232.57986 47334.37034 65346.79103 70380.89976 83441.63813 67877.11035 52587.48566 83312.4363 68626.68559 64409.79058 64984.45123 48512.33408 69661.70054 56362.33581 58710.78479 56292.64642 67526.01849 51243.09029 61804.92409 53205.1689 42376.58412 50755.67992 59714.55121 64295.37553 60675.75212 203.282934 283.9215132 278.2137368 206.6226741 300.4883373 290.5621957 PA(34:1)_M+NH3_feature2 579288.7522 478318.5082 542071.7876 513255.0484 367936.2306 580435.4403 760234.8401 840333.457 821216.0732 569519.4298 518873.9085 622718.5438 434428.307 503819.5915 484708.0506 269324.7335 498668.3225 459237.2883 527651.3735 547227.5242 682480.8634 535790.3882 662500.0747 723585.7704 669996.0484 495192.5697 728209.5405 420770.7227 604174.2949 371917.8044 929381.1142 847093.3288 631076.4307 905881.6357 731938.8553 499135.7989 723403.9334 579222.6599 613068.972 875228.9846 543797.8862 472220.1714 589870.6824 617192.7922 410324.5612 433977.4848 719707.8218 608260.8304 542386.5807 423777.7648 767646.4308 722306.2584 676054.8248 700665.5043 591720.406 551944.9976 569096.4124 599526.6006 596145.2959 614398.8047 591980.8071 580886.0756 548768.0863 731.7611203 438.6706091 444.0941948 663.505037 799.9284763 481.338566 LPE(O-18:2)_feature1 22633.00613 30726.49932 37096.47695 40792.1782 42304.34609 40762.4208 35977.11832 36087.35414 35296.18275 25496.23948 27349.85052 24343.56196 21351.21521 21598.14813 47396.6997 17222.30131 24855.12136 29447.37592 20657.19448 30709.14566 27594.51203 31008.95303 30776.28202 39760.9442 26157.20175 28212.11789 57700.53908 22977.58541 35823.57089 21521.50357 34280.97793 32645.71826 30371.40563 38161.36763 31839.6625 26084.54364 35175.63199 41669.79046 32631.71068 46893.01194 21131.0959 34832.14432 21108.33881 28500.32408 28249.94588 24363.21098 33296.02147 31388.34924 29961.76362 16023.41362 38870.51491 39720.58114 36089.38299 30233.10535 35027.267 28248.64809 30153.10492 31108.91814 38444.1139 34281.22319 29488.89006 33791.39633 29939.02371 243.0355673 2564.755167 2814.237528 257.25504 2802.719655 2384.457335 LPE(18:1)>LPE(18:1/0:0)_and_LPE(0:0/18:1)_feature1and2 73806.10975 47324.24437 56327.03858 54340.51496 42002.7949 63826.12064 54082.94232 58474.67802 65292.47511 43523.58336 55828.56325 62990.59557 56388.62079 74451.28403 64599.99025 42910.10282 68963.64703 88861.473 54005.43972 65313.93043 55980.37092 53010.09819 45407.92084 56000.49997 47966.43332 53551.94993 109022.5023 62832.86803 66062.94537 55528.79093 63184.48906 59780.6261 56077.87079 65716.42661 59827.43494 34064.9509 54756.67732 54960.83441 65348.66053 68050.70244 58195.17288 94606.15923 57382.76486 62939.735 60502.7803 76285.78643 81060.48541 62365.66264 52689.82107 42089.16881 61049.24845 58983.19379 68311.58553 68606.39556 59550.49739 62316.77934 60532.51937 59364.67765 59862.04974 61785.43411 60966.08642 59612.42024 60777.7425 284.3303222 1929.079411 1467.809006 293.4453359 1739.920246 2291.592717 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 269640.1899 261370.6728 293280.2455 320285.1764 256239.1644 345027.9767 302884.0291 306363.1436 358071.6164 217380.5441 298382.9473 311847.6687 279531.3702 296768.3132 386794.343 227000.3914 359715.5868 332619.5024 295419.6135 343859.1979 327110.9864 271406.268 242327.099 328803.3919 286359.7894 316368.0226 467733.1543 281439.9546 338034.9332 263795.5773 372348.4543 304249.2736 300316.3586 380759.6454 314446.7015 208370.2798 291590.6482 289115.8364 310532.4852 364097.8711 298835.5256 300083.9391 295939.9343 354174.8018 287897.5235 383228.5032 375246.5454 358331.9101 346191.2622 219539.6572 269216.4149 275886.8301 291806.8747 292310.9055 306321.4251 322601.9184 309144.1962 314929.8622 288817.2537 304723.2427 304172.3874 315393.0649 318959.8028 242.9036866 6796.066388 6561.116702 256.1151632 5450.188297 4965.163443 LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_feature1and2 159248.5825 136022.6344 155443.7999 163649.2032 134793.5169 190457.6073 158514.2705 176915.1576 213187.7975 133547.1484 160269.2701 174043.1265 159164.9109 182482.118 176137.8055 125283.5651 193685.4152 198769.7356 160065.7171 196703.9052 195582.8515 159946.8359 141751.5552 170783.309 168519.9546 177110.7579 259130.6241 133614.5696 190077.3805 151956.7721 198485.0035 171108.5047 157298.8156 220839.6591 193168.4999 116128.744 171390.4873 171182.4098 180686.502 202433.5353 175542.4364 158173.539 156767.5959 186360.6363 153529.2011 185105.5746 239797.0594 190677.7627 172024.5968 116105.9307 140559.4137 132141.1478 163461.7221 151883.6848 168708.6729 171271.3062 172957.2309 170160.7145 162245.605 171658.9105 163642.5454 170734.7207 174177.7967 288.6674905 697.5589063 645.3561307 282.4773447 632.9788625 612.6918009 LPC(26:0)>LPC(26:0/0:0)_feature2 443974.5686 270775.6928 285025.0133 337935.7176 233516.6195 323580.431 447007.3161 610657.309 569864.5915 365668.7845 143234.1379 115952.5507 91211.08299 130574.7518 114574.4233 61913.80175 103946.7391 93332.39527 141450.3864 87151.83207 531726.3501 327723.4388 347619.7601 512647.0185 536561.0442 99794.42269 214633.3694 99487.89567 138435.3578 111550.7967 722173.2675 595507.8962 523235.1576 660418.3499 442855.4375 361126.562 536466.0508 515596.4516 480722.0995 632655.772 157916.5181 86790.71821 101802.7341 131043.8534 110190.4173 116862.3695 183729.2649 122133.3549 122375.2249 125788.5494 519244.5317 506320.3059 686661.2247 615746.8714 305381.4187 309470.3255 297868.8884 308109.4807 262950.1989 295609.4576 303910.0864 317554.1267 300517.0991 271.6256887 263.6850318 261.7758023 249.6727593 244.2314227 253.2273144 LPC(24:1)>LPC(24:1/0:0)_feature2 22722.0993 27966.03132 28114.19229 32161.58751 24728.79858 35707.16904 28201.91184 35539.00598 36573.89984 21454.00444 24437.84061 24610.4375 20299.02972 22897.89387 28349.84603 19432.48344 29840.83675 26522.79377 25302.40391 32052.8141 38836.44735 35699.90896 27914.62331 32743.55668 34111.18576 26410.27477 36950.06069 23017.39447 31221.97816 20235.89279 43933.5512 32695.22076 39048.65432 47786.10278 31041.28301 19128.46038 29320.1996 38452.47593 40909.12378 39005.78272 26418.97848 19669.41524 24603.83778 31049.1871 22688.91551 27283.01103 32757.54568 24006.14814 29032.23616 22096.10305 28286.17909 25307.40505 27916.74466 26669.78004 29143.34595 29498.49834 27361.96416 29108.26123 25126.71822 27289.40094 29854.28723 29455.12904 28404.74544 230.9906503 359.9792855 331.9929703 236.764784 355.0306603 322.1603498 LPC(24:0)>LPC(24:0/0:0)_feature2 263350.6209 229400.5147 259098.1606 299666.0868 191526.8126 354497.799 324495.2011 384279.7701 481912.8382 237802.1168 213523.481 224889.4936 171222.8544 205392.2528 198748.7504 101421.7791 223247.9952 202376.2884 242650.4014 221657.7216 442807.1079 302637.8459 300642.201 405660.0911 370232.7536 209892.3845 384345.6037 192714.3772 265871.6641 164346.2268 542882.7872 431939.1142 403877.7792 562071.3932 359096.8375 206356.023 355408.9411 444786.7942 357169.5122 475369.6343 250592.254 136306.9022 206283.5815 257338.1189 184135.7574 238285.6348 347976.6902 220712.393 247283.1953 186896.9579 320875.0574 303431.2512 375939.2527 376320.0334 298904.8245 280899.2351 289498.6179 292690.3459 287157.2717 293390.972 281062.2863 282565.7 301705.2375 402.0452145 381.7556422 399.615166 376.6327945 384.3869154 387.6624294 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 104322.6216 72307.36657 99695.9027 115554.6886 76770.06828 114443.5205 126378.1743 119085.9179 142587.2013 96404.25716 131139.0769 148583.0805 107883.7126 141523.8891 124607.1785 87671.1344 149125.9575 167488.7717 153525.1677 158476.2276 119026.0884 111398.7537 105100.7345 124054.1252 113873.4059 115449.4225 240784.6989 122685.6055 121697.4103 117273.6137 138310.3754 108415.2199 111696.461 122751.3657 133261.7847 82032.69948 111462.2786 88906.0638 111833.4076 123807.0005 110366.8972 108253.2311 102312.1218 136741.7662 102061.6013 159945.4516 171588.3286 125890.3892 128441.7366 85363.49736 87545.79583 90399.67027 88563.68118 102395.1049 113857.0204 114820.9865 125914.3878 116868.213 109333.9454 99571.82142 113214.8121 108131.7777 131224.2186 147.8120255 1174.147479 1212.058344 142.909309 1133.591644 1165.807659 LPC(22:0)>LPC(22:0/0:0)_feature2 40529.58111 48077.84151 60471.3325 60865.60261 44480.15077 67189.47918 47242.56238 65095.11671 72214.60326 40890.52628 54068.85144 68173.312 54258.42559 55244.58332 58236.73623 46665.50199 68445.37586 68408.37218 57283.9695 71235.17835 62273.72627 56543.24245 50218.54592 57679.1428 55882.21093 58472.65082 92516.57876 64362.51949 70666.52267 57360.16711 64494.49443 51550.97202 63125.49521 84634.2776 53144.50829 40605.06694 48915.82347 54696.51491 67522.05165 64155.59424 61669.47494 46293.9179 55955.73581 68868.84915 55266.80052 65425.07436 82753.38678 57555.51792 64562.37399 48528.37435 46174.18866 45397.32147 45158.40804 40941.93308 57321.41508 61550.04258 59080.02766 56696.67096 57283.30593 59969.17999 59119.00854 58634.51927 58778.08712 237.8603184 318.4991165 292.288725 216.6830547 324.8740234 290.9784631 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 1624096.427 1134097.295 1377206.218 1374536.546 954902.1801 1491534.431 1591290.705 1609324.584 1861144.126 1146804.7 1140152.987 1098864.271 912358.8672 1304480.055 872822.3692 742416.6246 1286062.503 1304968.286 1241705.441 1250706.959 1548987.036 1036767.536 1134035.951 1146607.474 1151230.802 988637.3248 1894650.937 1016046.476 1207931.383 899392.3538 1643601.43 1117998.339 1588054.875 1687829.878 1320647.574 1042924.742 1504902.293 1222342.993 1651135.388 1830444.583 950403.9107 1010700.747 903172.5359 1060624.663 952306.5545 1387547.884 1538053.196 1057352.656 998837.4923 746458.8077 1477574.204 1396552.514 1683411.687 1479983.377 1216944.302 1208315.538 1226202.631 1213517.893 1187465.431 1106927.048 1080361.072 1252086.513 1295116.225 362.3959056 14761.98993 21403.27243 328.8262181 21916.59984 10823.08117 LPC(20:1)>LPC(20:1/0:0)_feature2 83401.46623 112767.2723 137366.5675 106294.1577 83135.58152 117711.7026 93623.01235 109615.0033 115719.0817 75799.51878 97604.57824 110576.9516 102876.9313 118272.4207 141308.6717 93724.98638 194033.8976 172792.9238 99229.30536 152790.654 123650.4398 123660.2667 106960.2423 113425.1778 106913.7527 134258.7494 194433.0816 109580.7892 145494.7696 84031.31101 130607.2992 89078.75823 120588.6513 137613.0512 146297.7209 63618.35272 87765.66432 140700.5286 137608.5787 121998.7357 86765.90899 102309.6922 109155.084 123101.4216 110948.0604 124274.3291 134282.6641 121834.4124 121310.8939 67810.9041 117353.2317 123731.594 121247.6929 121536.9802 113527.7151 116614.003 114550.3918 114060.752 120685.595 110258.804 112356.21 112763.9543 118929.5123 227.7726797 926.0121376 1182.182561 253.1996279 1218.252217 1157.30025 LPC(20:0)>LPC(20:0/0:0)_and_LPC(0:0/20:0)_feature1and2 82926.68029 94789.02805 123995.3996 117647.2636 94792.66599 149128.8069 97835.85482 129890.1741 150546.1457 92020.28782 108557.787 121051.3353 105012.8059 125452.3558 127413.2794 82681.64962 151678.4373 149198.6749 109522.9014 138407.8144 136396.6895 128537.3696 93398.76531 135046.7231 105816.0383 146018.7883 236408.8125 123112.4167 139732.9658 104249.3614 142375.9366 109097.2332 123961.7811 164515.101 114729.7092 73487.39892 94517.70525 135946.5821 137920.6438 129604.7925 126895.4173 89974.53456 123801.3094 163096.7177 99769.48612 130926.7179 197535.5493 117510.014 123233.8063 93460.88681 92586.18006 102024.5453 98542.8058 95695.7086 111893.6118 127513.8641 120235.8021 119763.1226 126726.8948 118997.1513 115526.3901 116866.6693 123129.9385 896.011813 2485.887471 3065.139532 986.2082471 3203.195892 3142.27994 LPC(19:0)>LPC(19:0/0:0)_feature2 77806.83681 141966.2059 152382.7671 112235.7451 120882.3471 161401.0952 246128.8727 145905.4297 147318.227 70666.94735 128899.2722 133108.9307 115799.5327 122645.6267 152156.0571 95505.90334 164947.6779 138572.8669 133754.5208 154847.7198 176537.2329 196661.5046 96117.25965 103044.4869 134129.3782 138728.6926 184943.0004 129820.8383 167094.7617 110482.739 330192.4105 100894.6406 275237.5975 131440.1178 243869.3413 177997.8265 80184.86126 102333.7935 310691.8312 287534.5709 118363.0398 98084.7789 133120.3325 162622.1939 123009.1194 151777.2027 182682.2616 136613.278 160993.0458 110500.6351 156768.1121 118267.2825 150801.9162 129363.5314 135306.8597 147846.243 147996.995 155915.3015 132059.733 134003.1506 142866.0592 155103.3063 139514.563 374.5640066 571.668907 593.141239 342.5844359 502.3661424 477.664185 LPC(18:2)>LPC(0:0/18:2)_feature1 582692.4663 617042.1093 672257.4532 516036.0404 567288.2827 774237.6758 340426.2822 516687.0735 752139.0987 424889.6515 420134.4855 1409480.865 456422.2763 629114.6051 309212.3797 302027.9824 868430.5433 755538.9451 457948.021 83287.32392 663051.2688 384265.0256 260347.594 457812.077 430262.2979 711396.7049 791370.7362 502774.2623 534887.4397 305021.176 428253.9698 430993.2623 526967.1485 666333.8301 629330.0872 450985.4532 346796.826 489994.8613 344731.7399 549618.7167 275403.4372 266827.3866 259498.9209 576833.3061 321810.449 345511.3377 490095.8722 370660.7897 289690.7642 320473.9401 265004.9833 561402.5397 448814.7108 361182.4049 483291.553 507001.8206 406929.185 429867.2454 479682.7995 460045.842 362125.5186 577125.4463 463398.2029 218.9450398 5084.226993 5308.621229 284.8625482 6981.556444 6099.370841 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 706941.3575 1283592.555 2206161.005 1511783.954 1116271.547 1721543.349 1059980.398 746624.4047 1831316.318 1318620.29 1101567.78 1454739.039 1080609.222 765443.681 753320.7688 1088111.781 2708630.182 2136186.806 920443.4201 2011963.381 1080536.674 1131176.799 692066.7024 1187113.425 846878.0289 1397729.474 1169288.402 1327891.238 1397981.028 918569.0644 1272208.207 868635.3442 1432512.787 1653575.65 939127.4317 766671.6768 680799.3918 1334384.881 1146331.082 945968.7332 786036.1062 869035.4269 792011.9043 1292734.775 840139.827 740211.6744 983198.3775 664402.7084 900213.1284 787856.4107 961951.9864 869291.4916 812751.3759 1163297.701 1451749.107 757805.815 1104364.691 1219966.263 959423.5754 837530.5576 1213549.201 987094.8036 1335167.804 261.7065836 6641.197232 24226.41766 306.1256753 9379.699595 49888.59431 LPC(18:1)>LPC(0:0/18:1)_feature1 210161.933 235886.3913 269131.7798 269610.2663 257503.498 334800.745 191987.2641 283247.6893 380868.6875 176692.4893 233487.6112 244206.0788 219953.2411 288555.3749 238434.1705 197750.8313 332010.3349 298767.4874 190299.901 309762.8149 215735.7606 218885.3638 154998.8999 288364.7509 170348.7646 242195.0942 385846.8859 290904.7533 220839.0475 200022.9059 299261.6928 175829.6957 239550.5814 261468.2745 236065.0126 147503.0025 221522.3254 226389.1424 245777.8276 1409475.586 184615.5866 202596.536 225738.9734 256950.9632 175919.5581 266055.3973 260976.8842 244053.932 205979.2304 153511.1533 24789.31758 160328.0888 20026.6275 181384.4074 342591.5338 210715.6724 252824.0135 251250.7656 247186.4301 217995.2295 290361.9237 267170.5124 293989.7316 102.0434649 145.0398343 150.6646229 125.2687873 450.9858541 189.8272659 LPC(18:1)>LPC(18:1/0:0)_feature2 1084276.935 1150265.955 1668626.961 1589845.628 1485029.523 1914580.013 1212999.722 1618114.537 2000771.688 920279.0814 1197215.529 1120093.535 1180334.574 1352573.39 1314213.218 996672.7927 1734181.409 1645615.781 1108131.265 1540616.198 1356078.138 1298548.434 1024323.936 1242186.725 1174450.028 1310284.802 1991817.223 1419567.942 1428907.265 1073267.548 1363690.44 1083090.773 1303314.95 1718960.692 1424630.607 824809.9856 1254370.651 1334613.9 1495865.152 1668798.849 1062842.559 1019776.358 1020169.651 1386426.818 985820.288 1489654.966 1585281.089 1348813.641 1159647.523 848035.8835 1255356.638 1090237.115 1241460.668 1065394.684 1522894.847 1298800.434 1224439.041 1266933.856 1224221.756 1321622.345 1545543.256 1287825.559 1335592.108 337.4204756 16264.1009 15925.98088 355.1833532 12095.13296 9495.242055 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_feature1and2 23016567.01 27588813.69 27645484.29 29600113.53 22237864.41 32847672.16 25194348.44 33319160.87 41287031.3 21192643.26 31949288.53 38109230.5 22543052.86 29855558.67 31932419.82 20635814.89 42420721.1 37174236.63 27247137.58 38285383.02 29929579.54 28562839.02 25937496.55 29974590.35 28076957.81 31716403.36 44965813.12 32123059.41 36686992.32 22137977.74 31489841.24 28702245.35 29860652.85 39266756.38 34338412.89 20785501.59 28735048.94 33446772.54 29890475.17 36735387.48 29863155.82 24474483.51 27609774.24 32063281.88 28225962.47 38480238.24 37822425.58 32631965.56 33338319.21 25014311.44 26714785.04 26944234.18 26104751.72 26616074.11 30803381.53 32678816.34 30108523.01 28158507.74 29678840.27 30523332.66 28355755.58 31419039.76 32411274.57 6793.515505 5940.907239 21762.73005 6784.939464 8458.767157 12308.89412 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 254794.7479 309053.1452 363743.7216 342079.87 290826.4472 382118.8504 305698.7433 355373.7356 429678.5577 245565.6333 273396.2801 241012.6259 179662.5962 242690.7329 293502.6355 179358.9526 330909.1397 294834.4486 246715.4792 331215.7403 377568.2512 384920.6826 294168.114 315392.8087 292190.3047 259566.7365 369141.6214 251265.1983 305275.4729 199797.0018 385782.6726 295274.4241 304838.9993 421160.2229 314548.7271 233434.7612 280302.8007 343618.118 355472.0919 378024.0327 229649.7849 191379.9404 232460.6352 324057.6638 232903.3233 280959.1538 361446.667 257293.739 311210.23 187004.7326 326116.0677 322101.5815 342721.103 332632.6767 305486.1463 302537.0818 300560.188 300760.7993 301674.5338 313854.655 300949.2038 297689.6139 305083.2793 307.0254624 312.4943958 374.9188004 305.9919807 298.9302469 313.3615979 LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature1and2 46852.95757 34501.6652 103936.9315 81139.25408 63676.05049 104827.5032 39552.28036 55806.87975 61496.38088 37535.55166 47450.09544 42102.39394 62803.55933 71743.34103 46191.92536 60099.47736 70904.79803 73500.60736 49544.35186 58038.52555 47640.34541 61648.55247 39035.83713 32147.20585 54796.64908 45220.81281 65519.34276 51068.56294 61004.8068 32823.43485 56979.40598 33664.93777 58774.09464 56172.20345 44476.46043 32226.7393 33677.51684 36933.80877 49445.31262 58166.66681 37114.29403 37410.02384 35130.00718 31282.20773 43260.78975 60631.19082 58869.58035 48185.0386 32108.98305 29597.34445 44476.24825 37867.00297 46207.55914 43843.07742 56637.28641 45765.26054 47942.46115 51327.82928 56888.34846 48983.28363 50621.16031 52441.69763 50387.59832 187.7521519 2360.356364 2453.06158 150.5954914 1447.139239 2111.009636 LPC(16:0)>LPC(16:0/0:0)_feature2 13744794.45 14099000.86 18045678.11 17630528.86 15928064.97 19533955.18 15524522.85 18206100.53 22156923.16 11345238.02 12725724.94 13538892.96 12927438.71 14705719.28 14827350.78 10196842.29 17472796.07 16755621.95 13776814.37 17478979.01 19326007.27 17189215.01 13281980.1 16689323.36 15205396.76 14652397.46 22338304.18 13715453.84 16454202.87 11906894.25 19468005.65 14203070.22 17141341.77 21718472.09 17369679.07 11388137.21 15779437.59 15983434.35 17379218.73 20765864.95 12421469.73 10342930.8 11578052.57 14385416.7 11105538.25 14379712.35 17419237.22 14150390.03 14537923.85 9260528.592 13318580.41 11970900.55 13367516.17 12996086.03 15485645.02 15049097.07 15919855.3 15887132.86 14980592.3 15145737.58 15260132.57 15814222.4 15466172.06 5948.626925 1898.952478 17973.4595 5871.507816 3478.964895 8244.009702 HexCer(t42:0)>HexCer(t18:0/24:0-OH)_feature1 142078.9548 205738.7487 218450.1737 231886.4775 346694.7036 199353.5889 217786.879 248603.1807 390187.3653 142928.337 173935.4786 312845.4931 165699.1881 383410.8102 443756.0693 214193.2467 300983.9814 255581.7915 256652.8221 263630.275 295594.8501 178480.1593 198167.4657 235482.179 209041.7494 313281.9556 384898.6931 282497.9214 292979.7527 287319.2936 299418.6539 249574.1358 220871.3681 330016.8174 233683.5737 229663.9205 196497.3197 238929.3145 285325.0121 301360.9482 269847.9773 238837.023 232394.2406 339835.8259 244203.2382 237602.8078 305893.2831 243821.7973 324203.0424 218882.2458 222927.5687 239155.8822 193546.4035 198343.6216 321627.8198 300048.8664 315711.0237 304760.2548 298348.7218 301419.41 291012.4268 320315.3125 323567.6781 377.1333206 582.9550824 613.6874794 399.8822088 593.1220256 624.3247389 HexCer(t40:0-OH)>HexCer(t18:0_22:0-OH)_feature1 226573.8225 244004.3156 352238.2114 387642.4613 413465.6316 364844.596 320349.0691 512876.2793 557741.7675 233509.7899 277197.5457 602643.3214 281688.1735 390053.3345 517550.318 262503.3877 561137.5293 430782.3706 319807.2108 430498.1407 487206.919 375663.4533 395366.8954 317772.8796 330843.7966 428890.6201 515698.2005 430810.6277 436031.2284 438684.2448 545153.4995 369808.3559 364372.9514 597067.5383 395195.7462 299264.01 326877.1663 324476.8076 548276.7041 421223.36 447015.3558 359112.4055 377006.445 527129.5015 355731.6111 431177.6903 587624.0677 462744.9814 510544.6716 326543.3789 425864.5829 380045.6188 352095.303 419946.7136 402238.4106 513288.6118 378875.8208 416033.5458 425593.2314 458389.8113 422303.6015 301348.7091 530753.3986 542.6961224 573.8548505 533.358085 509.6869683 576.2290918 582.1413313 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature2 111504.8804 99534.14616 166851.6563 180688.7393 113988.0343 197008.578 120914.8174 184553.4731 174461.2607 115027.973 125388.2975 299609.2551 173218.1827 215465.801 316370.2864 144973.7816 226697.374 303981.6874 118575.3132 206496.7954 125497.5034 110083.7147 116335.4234 130009.4199 118847.7722 283825.1522 326421.5834 261827.2723 216662.9865 245244.8497 266055.5044 196839.8639 257823.6473 232740.7313 212901.8117 101830.7239 164988.8525 166031.035 251788.292 209427.6383 267470.558 244663.8748 303902.0628 290280.8665 214193.9446 328580.2527 281172.4513 234358.0181 243294.6877 219125.0313 299036.5837 292538.861 173281.5791 174295.8119 237253.3237 251420.303 223129.126 232893.1452 240160.8615 270252.8013 246398.5844 206613.0754 247332.2592 614.8352711 825.890058 759.9061447 577.5727844 743.1314788 849.8134414 HexCer(d42:1)>HexCer(d18:1/24:0)_feature2 113647.5153 121649.3005 116778.0441 169910.2257 165944.4837 127863.8583 146963.1515 138102.8017 157779.2222 78553.87021 150159.8463 211593.0609 159837.2272 421182.2669 214675.572 159768.8522 241479.73 197965.5474 156669.991 197513.8956 145493.0059 114146.4152 106391.4171 158805.6022 138641.8128 241072.1318 251009.6507 178433.9576 222784.3605 225302.9751 131469.512 184764.5061 117516.6142 168395.6373 113311.1289 127075.3942 132523.2 122094.4419 147622.899 142917.2368 167909.0112 150880.868 167034.8736 148983.7548 160886.1489 196828.809 216559.6812 182355.8429 200932.6027 149079.9058 120911.6883 132731.1957 144926.1201 133093.2087 162591.0763 152161.0966 185651.6964 171144.508 183870.4662 138006.3916 180574.0842 160184.7687 167017.8233 751.5880179 1590.955286 1606.74952 691.7719272 1475.870407 1486.04867 HexCer(d41:1-OH)>HexCer(d18:1/23:0-OH)_feature1 39969.3447 42914.14714 67374.94956 50190.9532 35780.86566 67424.67337 51176.30301 50186.36541 82718.71601 38206.36566 50654.07433 94304.34215 67518.28047 80313.44027 106268.2654 48731.54841 94765.54664 99416.72885 46324.46967 88740.73489 43661.81124 44298.14345 44665.27406 43432.88675 59642.99927 92545.23568 88109.06111 91221.39819 94746.5022 68712.84866 91092.97746 66725.58235 78894.88045 109769.2286 91051.88907 43685.70607 54708.29639 77378.72406 80038.6611 73265.66738 84382.63312 99816.6289 91602.27246 130783.1339 73288.16555 128563.1938 88418.59757 126883.7132 90562.06415 78745.66411 129636.9104 124729.9093 76918.47768 76459.67844 86765.76866 70035.73327 85163.87931 80618.34436 75658.29661 88362.10244 67870.93728 69315.75874 94428.40118 549.7617228 524.9038832 541.3675223 561.4512246 567.4854848 596.792212 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature2 18276.36073 19802.32159 20440.97515 34099.27668 31094.82333 30323.70613 33356.50417 33387.3317 51876.99556 26723.15312 25349.3681 39615.57277 31967.71958 42591.76293 50711.23168 26192.4451 49209.03135 58193.67425 28021.50099 50011.81935 46187.20296 24922.31539 30418.72208 35327.43086 45441.46758 35272.1277 62532.51952 39202.30452 30449.25375 36172.17222 41245.07915 29697.79565 34158.99221 38670.2753 37158.17537 47872.69645 35362.80062 43222.38706 45959.1088 52250.40924 39059.82659 32853.32724 47473.92825 39369.43581 39438.77321 57532.85275 48187.52258 43460.83939 40588.58278 38600.36793 60806.85621 53755.39862 31992.6588 50303.32582 39732.46841 38276.215 43987.00159 52104.42408 48939.03964 46442.19904 47864.42243 45734.47159 33526.41225 500.2684708 743.8689498 689.5745125 451.9663381 677.9954541 677.8767626 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature1 39820.49011 44285.67564 72527.04663 73279.59188 44907.90169 72179.38923 50882.906 76869.35986 71675.81969 46073.17266 48994.22371 97398.14341 58330.73503 74940.05307 106693.6511 52056.6462 83022.80834 126397.2299 46945.40031 73671.78357 50666.52496 39620.16394 54768.45062 60025.56961 55619.51401 112859.8565 108291.4776 93740.93149 89717.88072 88726.10994 106926.481 87439.77051 101162.091 107911.0199 92255.04977 48880.04671 70030.816 73650.5613 98864.74156 90173.50495 100320.705 107240.9403 120536.6998 118944.6911 84427.41649 125824.4729 128008.9105 132382.0274 105688.0821 74389.11923 100550.865 112084.2049 71225.40057 72129.17051 92114.64518 87115.2136 72103.40696 87815.71601 88652.37013 85857.44353 81749.64596 84984.35162 89422.3629 635.3499585 442.6982828 421.0584992 667.7263034 440.6499452 478.3643802 HexCer(d40:1)>HexCer(d18:1_22:0)_feature2 35474.06535 40763.33353 60873.87095 73858.47812 64679.99582 43522.49738 46092.6894 59198.3493 85271.21852 39207.75573 58893.03679 81251.0963 57598.14139 74788.1287 86269.38593 65627.34613 94110.45125 74306.37452 68500.47696 85648.97642 61151.5784 48722.16423 57332.38926 52722.76846 55991.71527 83273.93347 98293.15704 90159.8119 77603.92751 87406.35632 54645.54017 54558.76887 50052.6322 77319.30217 53415.4796 68343.34173 40531.7496 45317.47432 72389.41396 66109.97571 74030.24046 61835.42066 70222.05478 78626.44021 72864.10527 77522.18654 84830.73037 81994.46442 87442.68285 47473.74892 43958.52472 51397.13806 45648.20165 46999.32342 65298.26539 61305.91887 60005.55308 62311.97326 65586.8774 63471.03713 67988.63698 64927.87577 57417.50812 448.8738501 957.0834843 1058.128101 438.9554069 1210.786086 1195.517805 HexCer(d36:1)>HexCer(d18:1/18:0)_feature1 12526.3518 14050.70327 12685.84563 14821.93463 10268.32105 22409.41247 20609.36384 21522.41524 21013.70516 15547.22709 13324.16605 13398.73382 5947.293861 18742.11529 15969.26806 14493.29876 25690.12294 22134.54422 20561.47619 19046.07847 17895.90557 19003.43226 14503.31725 21915.91936 19887.11572 13914.67211 26561.39312 10131.08354 23605.55109 17938.7667 28103.16506 20785.14213 21698.69988 33913.33555 21133.0854 13595.93645 9693.413451 16317.10945 22171.52445 20695.18699 20590.63644 12740.61371 14289.18074 22213.22793 9633.09287 16536.25863 27576.82591 14947.96222 15059.26582 12429.34717 15674.80403 18281.80428 11899.59492 17499.21196 15202.92869 22024.60029 20586.68502 19467.2273 17672.83069 19165.30547 15143.77754 17069.26673 22367.36427 298.6180302 220.0292589 222.4411452 318.0455941 240.0951127 258.1841104 HexCer(d34:1)>HexCer(d18:1/16:0)_feature1 56286.71894 51681.1538 47393.10633 71259.72219 60490.7121 54395.99374 66933.99 63324.65139 80424.00511 47786.33186 65259.79921 88576.14439 27103.7194 76615.02468 78940.18764 55078.11568 95760.57957 68105.24846 82692.421 74186.87785 82878.99745 60780.91994 75032.69999 71832.22256 73974.4026 78894.97475 93780.44065 52911.67993 94888.65347 71631.37944 82824.89012 65134.5909 82868.15389 102521.5973 73416.65415 59189.59681 65946.53141 60302.78314 65835.99767 82174.74471 59120.95546 65325.89475 72183.15778 73748.11605 59035.44143 87657.65346 93154.64432 71569.21796 79152.24226 58597.77039 45018.2909 59736.33375 53707.76004 62501.77406 64161.34589 78136.15342 69665.43957 64167.3464 66860.81833 75298.04251 70129.42394 54713.09549 78844.49987 340.8937033 365.0171907 366.9455505 344.3479609 345.1555711 379.8807448 erucamide_feature1 2429088.692 2491426.525 1855671.425 2659713.564 738212.0436 958432.8989 2034990.347 2095280.456 2059524.451 2106004.875 4175737.979 2248510.11 2479234.042 1968417.811 2602317.271 2333843.391 2067516.561 2150653.149 2220739.547 1772832.487 2549278.469 2325789.012 2518529.09 2304376.184 1851588.635 2042783.123 2609757.447 574556.5778 767471.6931 2538178.312 2557463.898 807372.0319 2456444.488 2366826.766 1784287.336 2125582.652 1060213.537 2072326.352 2046367.2 2221201.812 2571956.553 2537945.55 2000086.998 1799901.519 833367.6365 2559747.859 2398672.002 2204589.505 2243756.9 2250138.313 4058882.811 4309441.276 2801760.406 2922817.244 19816503.4 19446982.33 18750464.48 18592628.1 18202117.45 19169951.18 19851173.58 18983900.14 19383731.93 2857965.696 2318209.356 2375446.816 2682497.396 2461007.742 2323319.159 EA(18:0)_feature1 217960.7727 954209.8149 809455.5223 150023.9274 592292.4817 331844.007 279439.7265 909389.8109 920845.2878 233027.2008 618747.1878 414042.7527 81122.43282 581004.6155 78763.28762 735137.0079 113982.712 863886.9014 87374.94957 1075447.907 66295.66658 332886.1914 69748.49697 101611.6198 1049388.706 96342.62745 75759.55909 709378.5436 69328.07891 130593.9535 73614.15471 82933.93195 144806.9151 126963.9904 64744.20159 73433.65978 86176.87849 72452.9106 77396.83412 66700.22903 61211.64585 64306.04259 91910.38341 54293.92068 38616.86862 64268.56107 65793.00978 25628.44332 52300.71322 128719.3358 6801.066442 7883.849178 6574.616999 8670.520841 186095.2446 193796.8365 177585.5128 188355.1174 163364.0155 192198.0667 174816.0617 188517.7598 191560.392 7331.863053 49044.41563 30530.16854 7391.083557 83880.01329 78092.30989 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 46416.55746 35522.27706 43371.28385 42399.28302 35869.28574 57962.28331 50994.52929 51217.91708 65824.7937 40657.9422 68612.60461 64102.08264 66156.38307 75990.24287 72398.20167 43930.18373 85066.46655 87736.87321 78882.2054 71646.71843 60364.11902 55129.63016 57245.6679 71813.67254 60979.42582 79862.61166 191467.3718 58571.50525 87820.62908 70957.74589 68803.23526 53745.49384 64952.6732 81017.13592 59318.48452 43677.30455 58680.10289 58944.77675 54160.77739 83967.48608 78550.95976 86192.32922 67579.60115 75447.31193 56073.47353 82170.34612 124331.4108 79934.87649 74704.67482 45040.72118 48758.69782 41644.00463 82368.91509 77206.19573 76334.07761 75242.08384 71619.59148 75097.44729 80029.22844 72032.82387 72872.34159 78914.60886 73867.89061 349.7685925 314.4891377 335.0070333 280.4328098 288.2516026 333.9726243 DG(40:4)>DG(18:0_22:4_0:0)_M+NH3_feature3 53211.07182 80787.01035 63927.55322 61610.63212 81608.49026 68848.17751 73124.39991 82631.89558 113502.7219 57083.03163 62819.00771 73850.52111 52747.60473 58757.85591 76252.10234 37533.38619 84948.81852 63082.21822 65663.25314 78688.67624 89179.56141 68603.15339 66303.48905 88809.04593 81958.31911 84916.15715 149201.8218 60270.02184 65814.70369 53104.6451 95502.20941 87145.04287 75446.70016 111334.809 92002.65909 71128.61807 71396.50556 79922.47468 78798.24346 117249.6997 58796.8432 72354.44732 67301.39463 83167.82993 58033.66891 57678.5814 107600.3972 80401.83668 85177.15809 58895.33235 48097.12751 53635.6811 69450.99097 75039.86516 94770.89643 100236.6622 88887.36572 96613.76381 96535.81119 84460.03789 90435.02794 96271.57545 101752.0319 215.9785517 250.3683966 263.5190257 220.3885791 265.8913406 263.7527073 DG(38:6)>DG(18:2_20:4_0:0)_M+NH3_feature1 91696.62798 68413.13898 77936.54588 58089.40206 84909.58764 103504.8716 74248.57087 71698.89556 106153.8123 45085.7359 72239.03087 76003.86893 103443.6059 102918.8957 82993.74535 58950.27504 98788.53645 77811.7172 82983.58948 92995.0509 75253.89897 78802.39399 69198.94145 75545.56041 66036.42719 97956.73438 196543.5326 77317.76368 88210.10911 85257.18634 87376.27905 88898.74192 83939.18879 99661.69331 70504.69103 108685.1588 68061.24885 95649.61102 73491.34373 99677.6186 103674.3359 159150.274 95760.32638 94846.69007 79373.01344 79597.15489 105190.9187 82848.60881 99313.84402 66411.72231 91332.09482 76531.99029 117287.1999 120032.9303 83878.63192 96177.53123 95052.28719 91916.62907 91329.21333 91510.81751 89847.1441 88204.74717 93207.61834 330.2749235 247.247588 244.1519007 350.3780807 233.2779241 253.3732639 DG(38:5)>DG(18:1_20:4_0:0)_feature2 542840.0114 414790.6969 480252.8411 453632.6026 414818.0161 522504.7509 470625.56 502296.8444 648745.5728 424947.1169 547810.5228 543513.0236 521578.1791 537567.3859 498544.5894 384384.1171 587948.9079 578600.2647 543591.3081 533929.5225 495299.7017 471737.6259 513655.886 556692.0482 469233.9605 607057.1956 1185117.167 488198.5649 562889.951 435944.3851 572183.9766 517430.2016 522324.9137 630128.7809 530816.3838 598461.7131 524779.5432 563221.9604 471671.0483 719820.1579 583321.5564 904112.896 653234.6005 602613.4246 497650.9755 544517.3281 733545.6179 592744.7814 574115.1068 450196.2901 412721.4763 453457.6621 607658.7783 655930.2395 540964.3934 566713.5654 511085.906 556127.809 527154.9601 549514.6546 504971.3632 586610.9515 535502.7965 1024.978382 620.4335977 592.0710132 979.5097778 624.2442644 677.9299511 DG(38:4)>DG(18:0_20:4_0:0)_feature6 3824052.179 4106205.807 3933636.497 3717510.277 4359454.659 4016133.612 4357757.995 4524326.626 5253681.548 3854233.192 4394008.095 5216381.014 3695758.026 4016383.084 4522953.283 3473098.733 5418285.528 5049028.749 4845809.878 4815802.001 5048932.024 4838718.235 5145068.978 5728491.083 5077166.554 4723324.282 7730178.928 4685061.655 4726626.854 4125213.636 4856753.156 4295305.079 4772716.319 6135014.205 5461868.593 4433142.459 4631634.357 4787992.375 5525033.018 6557508.678 3751049.516 4951360.464 5053987.283 4927467.093 3988535.274 4356213.828 6968096.315 4980674.631 4917707.875 4241587.913 4211444.862 4344615.947 6078875.422 6467471.29 4822050.443 4807045.774 4398385.068 4847424.114 4461875.797 4828851.286 4637877.949 4474952.043 4962903.344 746.205604 1242.898729 1297.326884 800.6385608 1355.059089 1211.062285 DG(36:4)>DG18:2_18:2_0:0)_feature1 53854.01737 37074.36471 22789.61876 34802.33795 84162.20892 41428.75924 19324.73245 35927.50591 62916.66933 20710.45685 19494.96909 40163.93905 20565.84582 16193.13389 28537.64777 17490.68042 47698.26032 22420.27465 23570.20246 32569.83713 34680.55045 100750.8365 32237.46225 17452.48862 27987.03422 40787.69522 41140.66335 39299.74938 41396.03394 8642.477391 91391.61903 71921.0067 39355.51862 49736.80891 24098.33828 163372.5721 20515.4853 147305.0771 20938.46953 38505.68153 116192.8939 30941.49287 44532.72632 70993.37022 85017.11593 15947.01008 65532.2478 27246.53017 47026.21672 35050.84214 62417.55845 64504.7122 27230.10585 24421.39089 43928.80543 46363.06182 45350.21307 41718.0906 46047.89259 42219.02326 43698.50263 43419.04496 47153.43461 311.8555028 314.8479547 325.6015307 311.6305594 301.188721 316.9521052 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 2104644.69 1368512.209 1789407.884 1591767.493 1363680.323 1822935.441 1818366.305 1941601.652 2097139.327 1820342.912 2260536.94 1923518.648 2197142.804 2170380.335 1982406.072 1641214.265 2294314.005 2610536.22 2237074.459 2075175.061 1824846.948 1661593.929 1980477.977 2154822.975 1788255.748 2327191.547 3773953.727 1842980.857 2212627.246 1927126.462 2116977.06 1742144.662 1803621.448 2199246.888 1938750.911 1539198.585 2015611.403 1757492.872 1788102.839 2575043.204 2170936.857 2708665.525 2241786.791 2126188.611 1659330.629 2228174.942 2964233.815 2181950.626 2147822.327 1733734.881 1746728.95 1834493.238 2181074.668 2358531.463 2003817.217 2124830.408 1887342.135 2101339.725 2049751.496 2089979.635 1930411.698 2083088.414 2022968.21 1110.05548 840.6896304 871.4074167 1008.394896 902.7412476 922.3034804 DG(36:5)>DG(18:2_18:3_0:0)_M+NH3_feature1 828385.9089 600073.9833 351101.0648 538468.517 1280257.52 670808.6539 261813.8856 365723.7902 698351.1063 293716.485 232627.3705 344811.7575 242872.3532 226451.668 399873.7759 241568.1016 486580.6178 239802.3035 235694.9726 400301.652 367323.4162 1022476.373 318181.9517 193270.4405 288746.2211 523263.3726 488532.4783 436664.1846 426339.7348 152507.4915 993753.8359 846993.0833 510575.8558 538992.3059 295837.0333 2551870.425 298327.8723 1641055.584 271054.2294 501572.4989 1245784.265 563768.1904 551996.5075 893160.6958 1175078.143 241776.3686 707052.4586 329172.2667 545325.9366 582973.6472 753025.9043 767161.2011 322686.4114 330654.0366 544023.8996 532344.3399 562013.2632 568187.5462 582062.3927 549896.9372 528796.3844 548814.3351 552719.6879 554.4008354 551.2042425 551.3569176 564.0303612 587.6463522 560.1839435 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 2363476.877 1567036.551 884322.3151 1357514.783 3547722.776 1833550.018 670053.1655 1022420.09 1691080.668 800657.2482 640432.6762 1055792.692 617703.9996 528749.7341 1025840.148 687473.5385 1341507.24 646815.9941 624707.5777 1042817.72 1061996.464 2638958.811 821854.71 443738.3715 813470.3036 1307623.083 1257490.571 1130118.817 1064936.431 329304.6321 2782233.424 2284004.28 1306559.244 1420921.148 914500.3495 6110235.823 828417.6863 4369371.377 645726.0551 1402737.382 3299625.125 1581711.478 1548056.883 2337479.982 3068063.032 616136.0513 1871366.477 963511.5571 1618651.627 1393146.158 1678365.805 1761780.426 711737.6675 701511.5029 1440998.395 1492850.844 1511297.481 1474742.361 1535359.851 1459528.544 1424851.131 1485222.054 1499699.943 1161.688919 2157.120534 2344.560379 1222.668434 2400.599708 2431.414387 DG(36:2)>DG(18:1_18:1_0:0)_feature3 833649.6968 386063.5837 224023.8683 369653.4602 1207431.553 441926.4494 206027.5453 222061.1993 578899.8426 247912.5738 222393.9643 391055.4489 194093.4507 214483.8081 221264.7707 152742.4274 423333.534 236771.7242 208359.2922 246899.61 285267.2786 746154.5968 220113.2341 153064.0463 240664.7909 438665.1812 341899.5629 406807.7143 365033.8212 105689.7469 907382.9492 579622.8164 468999.3886 362244.5732 267753.7032 1850435.72 267091.6663 1603141.431 135179.4281 359131.8149 1233719.328 695434.429 654499.6945 845557.1444 1114799.289 171421.2718 892501.2393 240348.4943 622561.8438 526237.6523 351724.9794 346553.6327 174877.1191 229901.4904 408380.4497 541770.1739 435750.7228 530020.8006 408870.9748 471178.0374 437179.2886 413747.3534 527590.5778 690.5766576 1159.623949 1203.111446 902.0089321 1313.751113 1191.005754 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature4 538340.9698 633376.4353 563482.9427 557400.2171 827475.6833 724864.616 415111.2281 501687.7853 560693.2815 364422.2244 540321.6377 490585.1214 482814.1308 445521.8903 604176.4608 438220.3138 825423.9689 528297.6759 435263.0576 610788.7723 539238.1191 746514.66 489315.9296 418922.0451 440982.0718 637598.4333 890793.5666 561819.7887 562791.3728 361102.3846 440636.4252 812180.6031 462808.4915 644057.3239 458375.3235 1164260.577 410504.4224 622894.734 421251.587 681181.2108 467273.8285 612453.1442 352893.8796 493028.5423 463039.1241 442726.2951 696323.7432 520594.733 564331.4032 441552.7393 589327.5186 573998.5792 475427.4792 463130.04 608943.3656 563195.3146 556334.0675 405325.0758 582534.098 425356.8019 634200.988 596354.8679 541968.2266 864.117152 2179.979411 2036.222451 819.3102231 2598.000028 2664.723631 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature2 146794.1595 77788.15744 59286.02263 76976.34377 162826.3417 87294.09662 50802.49559 65364.68405 84938.88831 60856.21452 66284.57805 73845.52381 52097.92239 54277.14136 64381.82594 50585.17189 94372.02076 56526.62867 49273.14757 65388.27665 63450.98629 153746.8742 59731.60307 43875.57157 55596.14736 87737.33544 71522.06367 71945.59871 67161.49292 29579.29066 145913.7046 141504.7176 67098.431 79971.00731 66131.01814 325812.7627 56880.39417 250350.4987 48925.49459 76277.6948 160388.92 113302.8892 101743.5587 139458.3728 179248.9284 50344.80509 103378.8424 67361.54302 98068.35151 99307.83043 110317.9362 105325.3078 71919.82962 64033.57303 100127.0439 93265.95373 88087.02626 77451.81786 91587.68977 96458.42614 91326.09224 96878.35099 90223.2598 204.2298789 375.5310813 381.9022749 180.8570892 356.3254407 352.6616215 DG(34:2)>DG(16:0_18:2_0:0)_M+NH4_feature5 398597.9981 390989.468 379540.0896 335655.118 374087.0615 349830.1867 390692.165 349611.0661 338986.5158 370295.1546 343109.9703 323372.0733 378535.3847 347280.6001 337308.442 384756.1821 285824.9315 323481.2844 361728.5085 311768.9059 349165.7343 369809.2906 344112.6246 340120.6249 355551.0757 330194.5973 274000.7905 344629.0136 316492.8146 355072.9506 364646.0882 353595.5632 363230.979 309238.9944 354897.3809 421795.6471 355184.2893 360157.8659 339670.7586 343931.8013 344793.0564 365936.6426 309906.1528 320825.2005 380521.487 338265.9402 294289.9509 336023.9614 318317.8677 380699.6396 361340.3087 358004.9751 387917.7584 391170.5585 324121.3662 348641.3911 330441.4543 365537.0382 319006.0727 328949.2376 331761.6896 324715.4697 352629.5105 193.5511688 245.5390136 190.3527339 186.0430003 190.8784394 200.6243007 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature3 2777029.268 1738230.874 1282671.146 1571374.085 3089779.089 2012114.268 1163313.239 1521259.605 2205604.723 1213636.919 1362227.461 1641200.304 1309682.061 1094604.094 1457013.677 1128370.229 2055480.581 1256754.446 1209698.14 1576583.833 1522545.432 3013061.79 1352930.926 930333.7755 1253422.17 1855537.862 2053399.48 1658926.239 1555882.86 833764.4635 3457140.536 2860683.615 1704081.908 1893091.025 1329346.441 6602295.655 1365350.387 4651910.502 1066384.569 1819615.266 3839145.565 2111056.496 2131021.76 2707689.739 3254627.482 1192995.221 2770131.345 1564651.254 2169799.09 1853078.07 1859572.754 1858300.436 1252021.048 1260268.547 1894817.009 1922881.296 2054741.839 1927054.206 1932714.456 1975811.465 1907899.467 2026609.094 1880455.343 1501.770364 2623.969353 2108.902311 1192.954798 2352.989634 2334.618758 DG(34:1)>DG(16:0_18:1_0:0)_M+NH3_feature2 1625263.885 1042463.83 735650.6704 1064508.392 1615832.208 1100540.732 847148.1321 1013888.885 1323075.301 740041.6509 887166.1221 1264837.069 960308.6351 920359.9457 1001314.648 785340.6319 1396556.401 894816.7721 971352.1003 1076790.185 999501.2261 1572723.414 876630.6659 659824.4267 861370.4024 1156560.119 1664952.992 1140147.081 1137548.388 621339.9512 2005151.76 1454427.616 1211323.104 1266732.416 850399.9349 2997978.588 954017.2078 2449416.626 840669.1567 1196131.19 2277236.491 1591978.707 1469290.049 1566195.864 2016453.618 1058999.595 1972774.472 1260655.965 1579231.042 1184080.38 1045436.366 869140.9088 910967.9554 817972.0585 1316139.708 919286.9568 1218325.305 1276023.451 1198876.025 1237222.341 1185673.523 1096198.574 1191578.662 899.3176666 12403.19012 9792.657024 891.0317486 11246.01321 10498.16748 DG(32:1)>DG(16:0_16:1_0:0)_M+NH3_feature1 94829.08112 54937.07159 32740.71202 32813.16193 64201.25363 50680.49387 35972.7196 50672.43484 82232.3901 42405.35213 35647.46838 95703.18811 58060.05979 54909.63664 42221.39885 39584.73059 84725.30787 49050.89808 42611.93521 55207.79252 58078.97627 91544.56309 42672.78727 35785.61393 51601.39309 75851.72218 70982.20247 75910.29537 66133.6474 17453.92897 165723.6799 88092.82653 66644.7066 79068.11274 43472.56617 163945.3767 60223.79061 153036.1916 27634.70987 55740.1697 200120.3295 95818.78363 117714.2712 118717.6826 127622.7798 65285.08307 158272.3963 75201.55233 100703.1994 72926.37263 50279.12204 38829.82382 38071.7459 41077.09939 75017.80555 73665.80195 72756.2067 63001.32153 73158.59421 64714.87801 69293.34116 78363.17064 73947.4784 414.8079601 251.9896615 241.2736477 396.8573809 252.8966964 274.622494 coenzyme(Q9)_feature1 11855229.11 6829937.69 8917046.525 14108533.38 7756129.958 10652246.86 11112494.71 12094137.69 17404433.24 11403703.78 13616031.41 9875283.645 8003433.473 11271280.04 8767717.233 6068484.332 13089244.59 14446226.87 5678625.691 8791492.504 9021554.739 8124179.66 8415617.522 11575276.69 11879214.06 9731703.29 13520629.06 11047318.69 12769898.79 11095677.4 16340141.86 16157604.95 26350819.15 27190444.69 13454824.23 5291440.964 9294965.793 13336273.1 9258129.736 9583413.003 8906099.169 9620618.074 9711686.454 9996157.879 7680998.836 10087288.33 12392619.83 14244644.74 11174743.13 8379764.582 17393469.11 17450561.86 11203010.75 11299278.28 10991593.97 11239099.87 11149438.3 11462888.92 10773844.97 10807236.28 11135314.97 11162025.45 11255095.4 1304.578906 1241.077714 1202.135103 1211.90339 1155.365363 1240.62841 coenzyme(Q8)_feature1 157579.0789 87429.15173 101383.2254 181343.1322 93624.44262 131378.0024 130929.4496 126704.8254 208145.0519 132536.0167 178648.018 127119.077 103925.0359 146703.0184 121656.8971 82222.50523 215881.1838 200505.2789 75318.59786 102403.4103 100127.392 98450.81397 73608.76014 126020.6539 141321.0814 130541.27 172129.6848 162934.1525 154323.9406 154928.8367 187113.5055 204069.8343 325293.2971 330581.0408 146474.4702 63047.34945 103276.6338 154163.4372 107502.2682 103343.7005 141365.4017 123432.1957 146675.4493 156756.6654 128714.1554 163744.1939 182090.5594 170707.8599 167788.4655 143148.2843 217277.3136 211957.2374 152685.4606 146272.2571 148211.2224 125918.9882 138131.3497 143022.4302 140482.8647 140469.0467 144510.3433 145716.3099 129149.9204 510.6977215 1053.794144 1093.277592 493.830208 1054.317148 1062.344296 Coenzyme Q10_feature1 1566758.564 958147.4217 1249680.708 2335079.583 1330667.277 1354742.933 1804529.998 1901383.289 2389673.776 1851803.75 1896100.731 1314723.477 1167540.06 1591836.889 1399034.474 985636.741 1820171.766 2156219.385 786620.8349 1177928.184 1484823.646 1269203.704 1613641.512 1571543.363 1784965.193 1559733.502 1924330.16 1617004.724 2065226.16 1511093.673 2577092.234 2251067.847 3943615.452 4448506.608 2253993.403 717295.7877 1497908.063 1801640.572 1429469.742 1805151.998 1047534.656 1341706.212 1375019.026 1160786.482 982219.8012 1248372.986 1496264.299 1838803.399 1398637.002 1146387.403 2089997.901 1985254.521 1223583.909 1298286.546 1632596.999 1684871.938 1598713.124 1748728.928 1586466.524 1685441.403 1684817.635 1697595.911 1593703.992 665.4915926 679.0557971 671.0958561 699.9875792 696.293696 733.0813179 cholesterol_M-H2O_feature1 876120.9852 857240.8282 928009.918 942514.4855 943324.2052 1094544.994 1418580.757 930768.8557 936496.0379 1009852.287 769987.7573 977159.2339 1341479.36 964089.0335 1048709.102 930116.212 839250.4256 788933.5686 1001847.66 1097450.607 1063171.37 800103.5525 725795.0532 1089618.907 1072265.695 905768.9549 986078.8554 855078.1118 948469.4968 713744.0492 1012379.863 854327.6812 1113252.247 1272169.845 874304.9031 958315.5417 938538.0076 972607.2457 980888.427 905002.3867 1115106.03 877218.0067 932081.068 1079930.227 834915.2492 1043796.373 985061.9973 1057410.381 942719.8561 893356.1822 1066258.592 700385.018 755789.1358 882328.1747 964339.1803 1007825.468 910126.8577 1064548.467 1019796.821 1000346.009 1029491.546 1226564.246 756615.6663 989.8630595 729.9748014 708.8100364 887.7409702 659.4640811 682.5146979 HexCer(t42:1)>HexCer(t18:0/24:1)_feature1 42897.4422 56374.31333 44687.07384 46048.84423 50073.94257 47318.00386 48074.30126 50897.3641 55951.92814 42642.37949 50313.00077 69507.2794 51065.46813 68053.61346 70008.89535 33721.72305 67222.28997 60500.53148 54139.95834 64853.40321 52916.19696 42324.02758 49590.75613 53548.23447 51132.62007 66372.51047 81057.10477 56524.12513 59432.00574 48373.63147 55746.34125 60362.48361 51484.11399 66774.21967 60192.50994 44568.48524 51221.83117 56123.43352 49249.65164 59500.13945 62838.27568 59270.73148 72789.35574 73448.89594 60141.70455 62172.94464 76583.75637 69986.52433 55728.03875 54168.71744 45501.94356 46611.74851 42272.66823 48369.07296 62635.80894 60852.38278 60890.07422 60714.19974 59328.52808 54402.97724 67405.09285 62791.28946 59625.05026 482.6069698 698.6270937 735.6788221 556.4853209 775.157042 889.0170737 Cer(m34:2)>Cer(m18:1/16:1)_feature2 46136.76311 42102.51248 30866.56193 42522.51817 35279.53314 65211.68511 55540.03243 57917.84561 65930.28646 44372.83656 30233.68665 28668.24599 18114.45051 35035.93276 32700.68347 21796.09977 38906.71609 30607.75704 35500.07681 37747.6998 54560.69132 37822.01244 50874.16838 62701.98995 63359.45783 38946.09312 60854.05937 24759.24135 36579.89241 20290.01639 70200.3942 67774.31809 54707.11433 82736.81942 62107.26997 32652.31453 51441.85401 70888.48253 50681.68371 74500.39291 28989.55421 26246.65098 38918.83632 33951.68325 29787.80813 29988.26456 44035.50136 31029.74448 26314.04986 26462.92717 98711.00975 106086.1649 111846.494 121591.7434 41592.42773 44681.90046 42960.89996 48109.72098 50046.21582 44154.16666 42808.82578 39723.85293 46196.72483 769.4374398 257.0746107 254.9236385 2004.936125 1310.768503 914.5047541 Cer(m34:2)>Cer(m18:1/16:1)_feature1 27417.16558 24252.40472 14013.6869 24133.13347 14703.72428 29622.49732 25908.69953 20545.49295 36330.88328 17777.4968 12936.52385 28041.96448 11775.13567 15764.21979 17239.76479 9422.70518 26710.35179 15838.20807 19316.42906 29686.30141 31093.75442 27577.54488 27913.18151 31084.21566 22257.90767 27725.40511 40301.93633 16030.79512 23639.99957 12550.11615 45322.16995 41876.14912 29423.99547 51150.21855 36798.94991 20683.71893 26097.40849 45656.84926 19873.82821 41252.39443 24738.76263 14841.28639 17414.55103 24916.10338 20713.38465 19729.01841 34278.21543 18157.00153 14987.28482 13601.90495 38013.50651 44743.32312 38887.44167 52039.40845 22772.73411 23539.96814 27000.49314 28123.73394 31658.80048 27503.73827 26533.10348 17556.2868 26265.71931 872.9937559 687.0309589 1265.582059 2369.671111 1319.438441 1160.949388 Cer(d44:2)>Cer(d18:1/26:1)_feature1 109522.0011 91085.73169 117079.0136 111999.4883 89511.07811 135121.63 130249.6433 159285.2181 184753.986 99470.44666 75692.56615 79693.17243 68022.95318 74446.74794 70003.18578 46204.37156 85571.35091 89679.04301 79608.18248 75660.65706 151840.9546 127565.2563 121886.0929 168442.6521 132428.8439 81893.00662 130474.4899 70792.80645 93050.73833 64158.23503 186826.1863 139068.6571 132786.6225 186805.2062 137897.5896 84897.67271 151530.9618 166942.1193 137336.4073 172182.5759 81168.83529 60388.10315 66718.49612 78676.04075 54154.58621 68688.45844 122520.8257 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315483.8902 398266.0947 621494.7988 535145.8794 808423.653 400722.4996 260853.4341 441716.2926 686418.9227 555061.71 455376.7807 351459.8541 188929.338 431518.3566 399413.4312 342377.0717 368990.1104 653639.7547 434996.0073 455284.7342 531586.617 482313.762 416624.4452 329386.012 338455.6775 507662.9025 337449.1586 460357.5227 171519.5003 259168.4694 480126.5881 547112.5761 439884.4187 617534.0027 537916.7212 419068.6323 672702.0063 758506.9346 596408.4503 593294.6094 385928.0555 541012.6937 552618.4958 346993.785 390379.0918 449396.9313 451331.0407 423362.8319 455537.169 460826.9859 443539.2969 464884.0043 378769.1675 483503.2734 216.9709951 1301.279043 1366.377098 234.5450421 1333.714011 1625.915544 Car(16:0)_feature1 3083013.383 2232037.637 2474186.463 2881661.911 1587825.541 2549328.775 2799356.364 3646941.27 2929948.857 2204545.109 2682844.926 3918041.12 4403396.33 5289543.114 2650313.481 2302828.029 2845220.912 4435548.537 4056895.195 3283814.748 3072996.295 1734746.53 3199103.492 3292652.643 2698613.609 2355903.385 4414192.697 2849989.392 3037578.221 3987868.484 3417334.452 2756266.913 2595481.804 2811860.864 3533225.241 2418642.097 3439088.535 3382507.605 2396261.322 3508742.549 3635607.57 2958383.035 3743150.721 3191410.788 2745055.037 3986991.036 4934360.826 3556780.603 3596131.999 2643037.576 2788965.876 2674952.924 2123417.974 2017972.315 3201871.587 3008020.079 3053728.253 3175149.574 2995473.07 2941745.293 3132855.411 3158022.996 3105846.335 159.2764847 511.558828 1540.211683 152.0179901 555.3230119 459.0077276 Car(14:2)_feature1 71201.0919 97406.25553 82887.02202 98556.55808 49845.30571 72735.91409 104995.1049 122608.5531 139239.4375 83076.59387 94291.14541 110572.5351 80578.56558 155770.8415 87817.14098 55232.90878 146902.9643 121257.128 93837.56748 98211.27915 94380.04439 71372.14692 72939.2908 113832.989 94308.15885 78736.7785 113176.9736 109278.7803 90217.64778 121213.4463 151846.0875 159940.9066 86745.19512 177384.3574 132241.1392 70405.26356 111788.7083 125623.8115 87503.2492 127691.9541 107653.4946 92784.92547 141845.994 132224.6627 73492.55591 121133.5496 185661.1877 96034.9373 129760.0551 111767.0596 91734.95973 121670.163 81907.82956 138694.2485 115023.443 142032.0559 96811.32845 112720.4909 98773.32097 108364.9861 100630.0449 165837.0581 101711.0579 449.1801904 1148.260479 1013.607602 911.9506133 1209.749437 848.8320804 Car(14:1)_feature1 172900.2034 224878.9759 125041.0413 191374.3057 127997.6226 112908.8347 194967.4371 246555.7499 259925.933 191348.4203 221299.2271 348283.2469 282570.4508 329058.604 163994.2872 123592.7833 277402.6188 250959.1462 223004.6913 186781.3576 169497.1628 147057.3458 211300.1981 272337.3523 187154.2826 250188.2237 316884.1357 277802.0626 310161.7489 199229.5984 216460.3835 272174.646 220782.362 189442.9038 219701.2078 161368.8789 277370.6013 219407.5343 149863.434 405976.9141 187088.185 143093.8433 379843.4586 217403.4077 175908.8359 301993.8921 393685.3621 540902.8664 375356.9114 170319.2935 238237.8482 240228.5783 222026.9782 228109.2867 202390.1765 173008.9417 221003.7567 203669.5599 201710.415 269685.0905 183363.2468 200611.3285 182328.3054 1235.928384 1111.745552 1409.343133 1072.578957 886.1722763 1600.753483 Car(14:0)_feature1 377085.589 341334.7208 243679.5337 535824.4022 272127.1632 375892.4096 442749.6847 460657.4696 632168.2834 441049.563 444844.3203 752269.8251 629842.075 884519.2878 449517.688 350170.3002 507408.0699 696522.7927 685691.0813 555605.8169 535264.7515 221522.8579 555373.0054 604683.8482 436175.0695 412400.5943 810502.3999 507640.0109 595041.8139 751911.1728 575789.2398 642252.3208 402985.8831 476686.2704 541517.6071 444166.4064 626717.3268 500142.998 260574.4299 666086.6693 609407.9339 540224.0489 676118.3436 523614.441 401866.716 729998.7002 850307.402 665629.688 604434.6082 439725.1412 436342.0061 535886.3557 544883.3391 527834.8281 473648.5372 601289.8441 488180.8426 578856.1277 421590.9221 579927.5254 466881.0439 466544.735 592179.0712 178.8432038 539.8719895 813.1887324 419.6664111 544.1491084 492.6548319 Car(12:1)_feature1 28656.67406 38295.62408 29661.08518 43447.44831 25845.6711 30291.16497 34988.97205 40538.70134 53836.45134 36437.89147 35703.56365 54893.38627 38102.17222 46967.37042 35233.82199 27816.21271 43622.46708 47643.37341 47705.62677 41200.62872 39006.78709 25672.63995 42344.31857 45886.73572 44986.35617 43299.82523 53292.62535 39993.56161 46699.32978 40516.79156 56818.712 45806.9963 33067.74948 42576.97441 51696.26543 28555.03238 47092.5148 51443.5272 34174.57788 51958.3049 40667.63199 34866.6662 53675.78693 56101.92165 34997.75932 43620.86956 61716.65767 52627.23161 58033.40121 32619.37653 46151.02848 41641.26695 33698.16778 32774.80663 44671.14611 41915.43329 43013.73265 36625.75483 41408.38022 43570.68273 42965.52466 40888.1973 43434.60902 835.3210132 617.2275163 1546.868023 838.0631755 2061.055623 611.6468211 Car(12:0)_feature2 196271.8575 223111.3253 175986.281 252770.5019 130706.7441 161541.5638 230789.3927 259806.8677 286644.2606 224131.5036 229053.0588 335556.2525 254778.3361 357908.1569 224642.8136 161402.5795 256280.7894 337273.8181 255711.4947 252231.1811 220512.9451 143923.1437 228277.652 272558.2171 222599.2257 221588.6419 337122.9704 216183.7539 230749.5025 216995.3211 289318.8672 266619.0947 230558.1116 252555.5945 338099.3817 191600.7466 273255.3595 303411.7753 183193.409 271985.362 230832.3731 251807.243 317396.0529 314700.6497 205332.2131 296070.9238 371996.8531 279703.7288 289472.0108 225117.7429 192462.1823 228776.9808 170253.3269 195400.4384 333999.2891 229629.1799 232498.4828 241132.8102 242666.0053 266491.4278 278491.3999 269290.473 274565.0335 773.3395612 1409.235418 1519.271112 852.2131184 291.4075857 2113.9064 Car(10:0)_feature1 63686.48835 64936.7581 59974.59235 74374.74743 42036.91628 52833.48792 63770.15217 80642.29516 81443.61389 60530.23084 62714.26658 76658.90253 66915.82941 87745.53602 55355.14025 41819.50813 64091.1592 81810.76682 67816.31596 65501.43301 68385.48332 45631.19232 73945.17269 70836.08767 76819.35303 53482.22222 95681.21407 54035.36376 64185.19979 69486.55881 90758.64786 82110.73033 57733.37999 78164.78577 85738.67708 60630.47139 88886.67521 84958.91132 54323.46006 96320.18047 64643.97103 60174.0191 78191.43615 72116.91474 57198.84507 74929.28715 87978.47887 81208.05846 72677.04406 48474.21505 84213.95945 83823.99126 62379.7836 61327.83683 68761.36024 72854.41041 68499.59971 64385.08304 68592.13426 69588.63032 72778.47853 68200.00238 68672.40241 1104.976254 2983.137028 3392.548311 1157.663868 2714.754574 2406.521503 arginine_feature1 11715.20913 10372.7142 12605.44055 6463.318979 6322.129214 12081.83066 12117.22823 12853.94482 15617.86057 14374.96871 17751.65367 18182.18273 6235.492159 12994.63763 12009.49767 9185.123583 16517.78716 14552.16521 8210.088117 11549.05868 14750.42705 21074.43928 14157.1603 11509.57031 12083.36167 9159.174635 17610.54234 12477.543 12426.53198 5035.433157 16020.81219 20021.10962 13166.78908 16085.65482 12044.2242 4554.892634 8701.034305 8682.1415 13184.71376 12652.61386 10887.94525 6554.746756 13805.32466 7462.218485 10375.46272 11061.7582 12073.26302 9809.122596 6737.959149 6734.579433 8847.728293 15969.96459 14896.77149 18447.55716 13676.69914 11141.46744 9554.104218 12709.94981 11294.16327 10777.05928 11206.09978 14040.11385 11296.07927 136.0994442 930.2321594 920.8840818 176.6120911 1184.423916 901.2091987 adenosine_feature1 272830.647 216099.8936 289022.3728 268754.1702 205551.4295 217630.1377 269716.8762 319585.7639 235331.3681 292414.9569 393215.9398 207287.0813 227511.7458 112944.6994 176240.4302 182174.0171 204681.423 176822.9129 159720.3964 211565.664 221811.3529 266762.5371 253119.6745 318610.8213 367680.6663 250737.2789 653768.3682 188015.1033 351594.5783 118731.6304 260543.6246 270560.1636 205263.3053 270583.32 250447.5508 175433.3915 280318.3222 262456.5922 83880.01711 207313.3753 204524.6649 286920.0445 193352.9087 99038.98515 162537.751 137688.601 137580.2475 305937.3374 137414.8123 98263.26055 317276.0184 187678.6571 304310.0381 299861.3293 207207.1323 235306.3731 221680.6324 282606.0271 177763.4079 257592.6196 218490.0766 268120.1373 192948.1512 140.2806692 1020.043935 967.2534835 133.6824514 825.8410199 952.6144507 3-(1-pyrazolyl)-alanine_feature1 41565.68912 61946.42048 90626.97042 59475.27445 63380.81727 96180.99573 65007.45895 93540.62971 65567.81342 85385.02599 80184.53369 70573.49037 51830.70604 46381.88756 75995.11003 35436.24962 89484.2669 61600.61156 58953.148 62213.56711 77214.77938 70145.54798 89047.10467 65784.48453 57341.80567 59225.20715 74293.81354 58600.67842 59000.2802 46234.78024 79089.69878 74886.95423 58785.96218 79040.1178 79605.60346 47804.57053 69805.62564 61507.52311 57571.54072 83034.93499 53629.20688 50507.39498 49017.94525 56724.76416 48973.80364 49233.46909 72580.48718 46601.29654 56232.88078 33887.34063 57977.803 63346.07417 83768.7568 78013.16952 64000.67305 60654.75369 62502.88225 45470.22285 68163.01541 69030.43969 65888.65384 52828.84525 61090.3923 749.7875695 1297.364834 1329.481696 816.8617242 1601.270853 1216.387368 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_M+NH3_feature1 C51 H92 D7 N O6 829.7973166 828.79 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_[iSTD] 8.84 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_feature1 C41 H72 D9 N2 O6 P 738.6452966 737.638 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[iSTD] 4.4 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 C39 H68 D7 O10 P 742.5596866 741.5524 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[iSTD] 4.42 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_feature1 C38 H67 D7 N O8 P 711.5657966 710.5585 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[iSTD] 5.04 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_feature1 C23 H39 D7 N O7 P 487.3518366 486.3446 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_[iSTD] 2.14 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_feature1 C41 H73 D7 N O8 P 753.6129366 752.6057 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[iSTD] 4.8 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7))_feature1 C26 H45 D7 N O7 P 529.3985866 528.3913 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7))_[iSTD] 2.09 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_feature1 C36 H61 D7 O5 605.5843066 604.577 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(9z,d7)/0:0)_[iSTD] 6.48 GTInternalStandard_CE(18:1(9z,d7))_2M_feature1 C90 H142 D14 O4 1316.294507 1315.2872 GTInternalStandard_CE(18:1(9z,d7))_[iSTD] 9.74 GTInternalStandard_cholesterol(d7)_M-H2O_feature1 C27 H37 D7 376.3947066 375.3874 GTInternalStandard_cholesterol(d7)_[iSTD] 4.81 Ubiquinol Q9_feature1 C54 H84 O4 797.6441666 796.6369 Ubiquinol Q9 7.23 Ubiquinol Q10_M+NH3_feature1 C59 H95 N O4 865.7067566 864.6995 Ubiquinol Q10 7.69 TG(60:4)_M+NH3_feature1 C63 H117 N O6 984.8939666 983.8867 TG(60:4)_lp_a 9.65 TG(60:3)_M+NH3_feature2 C63 H119 N O6 986.9098966 985.9026 TG(60:3)_lp_b 9.82 TG(60:3)_M+NH3_feature1 C63 H119 N O6 986.9110266 985.9038 TG(60:3)_lp_a 9.62 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature5 C63 H105 N O6 972.7993866 971.7921 TG(60:10)_lp_e 8.51 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 C63 H105 N O6 972.7994866 971.7922 TG(60:10)_lp_c 8.2 TG(58:9)_M+NH3_feature2 C61 H103 N O6 946.7838166 945.7765 TG(58:9)_lp_b 8.05 TG(58:9)_M+NH3_feature3 C61 H103 N O6 946.7838966 945.7766 TG(58:9)_lp_c 8.22 TG(58:8)_M+NH3_feature2 C61 H105 N O6 948.7994766 947.7922 TG(58:8)_lp_a 8.04 TG(58:8)>TG(18:2_18:2_22:4)_feature4 C61 H105 N O6 948.7996466 947.7924 TG(58:8)_lp_d 8.37 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature1 C61 H105 N O6 948.8001166 947.7928 TG(58:8)_lp_b 8.67 TG(58:8)_M+NH3_feature3 C61 H105 N O6 948.7906966 947.7834 TG(58:8)_lp_c 8.2 TG(58:8)_M+NH3_feature5 C61 H105 N O6 948.8004166 947.7931 TG(58:8)_lp_e 8.55 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature1 C61 H107 N O6 950.8144366 949.8072 TG(58:7)_lp_a 8.37 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 C61 H107 N O6 950.8151366 949.8079 TG(58:7)_lp_c 8.68 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 C61 H107 N O6 950.8151766 949.8079 TG(58:7)_lp_e 9.03 TG(58:6)_M+NH3_feature5 C61 H109 N O6 952.8309266 951.8237 TG(58:6)_lp_e 9.04 TG(58:6)_M+NH3_feature2 C61 H109 N O6 952.8303266 951.8231 TG(58:6)_lp_b 8.73 TG(58:6)_M+NH3_feature1 C61 H109 N O6 952.8212966 951.814 TG(58:6)_lp_a 8.64 TG(58:6)_M+NH3_feature6 C61 H109 N O6 952.8312066 951.8239 TG(58:6)_lp_f 9.16 TG(58:5)_M+NH3_feature3 C61 H111 N O6 954.8377666 953.8305 TG(58:5)_lp_c 9.14 TG(58:5)_M+NH3_feature2 C61 H111 N O6 954.8470966 953.8398 TG(58:5)_lp_b 9.07 TG(58:5)_M+NH3_feature5 C61 H111 N O6 954.8467866 953.8395 TG(58:5)_lp_e 9.41 TG(58:5)_M+NH3_feature1 C61 H111 N O6 954.8481366 953.8409 TG(58:5)_lp_a 8.96 TG(58:4)_M+NH3_feature4 C61 H113 N O6 956.8621466 955.8549 TG(58:4)_lp_d 9.5 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature1 C61 H115 N O6 958.8677266 957.8605 TG(58:3)_lp_a 9.58 TG(58:3)_M+NH3_feature2 C61 H115 N O6 958.8783366 957.8711 TG(58:3)_lp_b 9.66 TG(58:2)_M+NH3_feature2 C61 H117 N O6 960.8948266 959.8876 TG(58:2)_lp_b 9.81 TG(58:2)_M+NH3_feature1 C61 H117 N O6 960.8843966 959.8771 TG(58:2)_lp_a 9.62 TG(58:11)_M+NH3_feature2 C61 H99 N O6 942.7531766 941.7459 TG(58:11)_lp_b 7.85 TG(58:11)_M+NH3_feature1 C61 H99 N O6 942.7535966 941.7463 TG(58:11)_lp_a 7.68 TG(58:10)_M+NH3_feature2 C61 H101 N O6 944.7686766 943.7614 TG(58:10)_lp_b 7.91 TG(58:10)_M+NH3_feature3 C61 H101 N O6 944.7689066 943.7616 TG(58:10)_lp_c 8.1 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 962.9105766 961.9033 TG(58:1)_lp_a 10 TG(57:4)_M+NH3_feature2 C60 H111 N O6 942.8464766 941.8392 TG(57:4)_lp_b 9.43 TG(57:3)_M+NH3_feature2 C60 H113 N O6 944.8617166 943.8544 TG(57:3)_lp_b 9.59 TG(57:3)_M+NH3_feature1 C60 H113 N O6 944.8617066 943.8544 TG(57:3)_lp_a 9.44 TG(57:2)_M+NH3_feature1 C60 H115 N O6 946.8775666 945.8703 TG(57:2) 9.73 TG(57:1)>TG(16:0_18:1_23:0)_and_TG(18:0_18:1_21:0)_M+NH3_feature1 C60 H117 N O6 948.8936166 947.8863 TG(57:1) 9.91 TG(56:9)_M+NH3_feature3 C59 H99 N O6 918.7538266 917.7466 TG(56:9)_lp_c 7.97 TG(56:9)_M+NH3_feature1 C59 H99 N O6 918.7538566 917.7466 TG(56:9)_lp_a 7.78 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature3 C59 H101 N O6 920.7690966 919.7618 TG(18:2_18:2_20:4)_lp_c 8.05 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature5 C59 H101 N O6 920.7688066 919.7615 TG(16:0_18:2_22:6)_lp_e 8.24 TG(56:8)_M+NH3_feature1 C59 H101 N O6 920.7601966 919.7529 TG(18:2_18:2_20:4)_lp_a 7.92 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 C59 H103 N O6 922.7850966 921.7778 TG(16:0_18:1_22:6)_lp_f 8.59 TG(56:7)_M+NH3_feature1 C59 H103 N O6 922.7857266 921.7785 TG(56:7)_lp_a 7.91 TG(56:7)_M+NH3_feature5 C59 H103 N O6 922.7851166 921.7778 TG(56:7)_lp_e 8.38 TG(56:7)_M+NH3_feature3 C59 H103 N O6 922.7822866 921.775 TG(56:7)_lp_c 8.23 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature2 C59 H105 N O6 924.8002366 923.793 TG(56:6)_lp_b 8.6 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 H102 O6 907.7741666 906.7669 TG(56:6)_lp_c 8.73 TG(56:6)>TG(18:0_16:0_22:6)_M+NH3_feature5 C59 H105 N O6 924.8007066 923.7934 TG(56:6)_lp_e 9.06 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature2 C59 H107 N O6 926.8148766 925.8076 TG(16:0_18:1_22:4)_lp_b 8.76 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature3 C59 H107 N O6 926.8152066 925.8079 TG(16:0_18:1_22:4)_lp_c 8.94 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 C59 H107 N O6 926.8155666 925.8083 TG(16:0_18:1_22:4)_lp_e 9.21 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 928.8306466 927.8234 TG(56:4)_lp_d 9.29 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 928.8304266 927.8232 TG(56:4)_lp_b 9.01 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature5 C59 H109 N O6 928.8317266 927.8245 TG(56:4)_lp_e 9.47 TG(56:3)>TG(18:1_18:1_20:1)_and_TG(18:1_18:2_20:0)_and_TG(18:0_18:2_20:1)_and_TG(16:0_18:1_22:2)_M+NH3_feature3 C59 H108 O6 913.8207466 912.8135 TG(56:3)_lp_c 9.48 TG(56:2)_M+NH3_feature2 C59 H113 N O6 932.8590066 931.8517 TG(56:2)_lp_b 9.65 TG(56:10)>TG(18:2_18:3_20:5)_M+NH3_feature1 C59 H97 N O6 916.7380166 915.7307 TG(18:2_18:3_20:5) 7.56 TG(56:1)_M+NH3_feature2 C59 H115 N O6 934.8788866 933.8716 TG(56:1)_lp_b 9.83 TG(56:1)_M+NH3_feature1 C59 H115 N O6 934.8760366 933.8688 TG(56:1)_lp_a 9.67 TG(55:7)_M+NH3_feature2 C58 H101 N O6 908.7681766 907.7609 TG(55:7)_lp_b 8.22 TG(55:6)_M+NH3_feature1 C58 H103 N O6 910.7840166 909.7767 TG(55:6)_lp_a 8.4 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature3 C58 H105 N O6 912.8006566 911.7934 TG(55:5)_lp_c 8.98 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature1 C58 H105 N O6 912.8004466 911.7932 TG(55:5)_lp_a 8.32 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 912.8005266 911.7933 TG(55:5)_lp_b 8.73 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 914.8160966 913.8088 TG(55:4)_lp_b 9.1 TG(55:3)_feature3 C58 H106 O6 899.8051166 898.7978 TG(55:3)_lp_c 9.43 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 894.8499066 893.8426 TG(55:3)_lp_a 9.14 TG(55:2)_M+NH3_feature1 C58 H111 N O6 918.8470066 917.8397 TG(55:2)_lp_a 9.58 TG(55:1)>TG(18:0_18:1_19:0)_and_TG(16:0_18:1_21:0)_M+NH3_feature1 C58 H113 N O6 920.8627966 919.8555 TG(55:1)_lp_a 9.73 TG(54:8)_M+NH3_feature1 C57 H97 N O6 892.7378266 891.7306 TG(54:8)_lp_a 7.71 TG(54:8)_M+NH3_feature2 C57 H97 N O6 892.7381866 891.7309 TG(54:8)_lp_b 7.87 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature2 C57 H99 N O6 894.7434966 893.7362 TG(18:2_18:2_18:3)_lp_b 7.84 TG(54:7)>TG(18:2_18:2_18:3)_feature3 C57 H96 O6 877.7277366 876.7205 TG(18:2_18:2_18:3)_lp_c 7.91 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature1 C57 H99 N O6 894.7546666 893.7474 TG(18:2_18:2_18:3)_lp_a 7.74 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 894.7540966 893.7468 TG(54:7)_lp_d 8.14 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 C57 H101 N O6 896.7695366 895.7623 TG(54:6)_lp_d 8.18 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 C57 H101 N O6 896.7696366 895.7624 TG(16:0_18:2_20:4)_lp_e 8.39 TG(54:6)>TG(16:0_16:0_22:6)_M+NH6_feature6 C57 H101 N O6 896.7696566 895.7624 TG(54:6)_lp_f 8.61 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 898.7846966 897.7774 TG(54:5)_lp_e 8.76 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 C57 H103 N O6 898.7848866 897.7776 TG(18:1_18:2_18:2)_lp_d 8.52 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature3 C57 H103 N O6 898.7764166 897.7691 TG(18:1_18:2_18:2)_lp_c 8.39 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature4 C57 H105 N O6 900.8006566 899.7934 TG(18:1_18:1_18:2)_lp_d 8.88 TG(54:4)_M+NH3_feature6 C57 H105 N O6 900.8006266 899.7934 TG(54:4)_lp_f 9.23 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature5 C57 H107 N O6 902.8145766 901.8073 TG(18:1_18:1_18:1)_lp_e 8.81 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature3 C57 H107 N O6 902.8156066 901.8083 TG(18:1_18:1_18:1)_lp_c 8.48 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 902.8164666 901.8092 TG(54:3)_lp_i 9.33 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_feature3 C57 H106 O6 887.8060166 886.7987 TG(54:2)_lp_c 9.5 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH3_feature2 C57 H111 N O6 906.8486666 905.8414 TG(54:1)_lp_b 9.29 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH5_feature1 C57 H111 N O6 906.8396666 905.8324 TG(54:1)_lp_a 9.27 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)_feature3 C57 H108 O6 889.8219866 888.8147 TG(54:1)_lp_c 9.67 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature1 C56 H99 N O6 882.7536766 881.7464 TG(53:6)_lp_a 8.04 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature2 C56 H99 N O6 882.7540066 881.7467 TG(53:6)_lp_b 8.19 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature2 C56 H101 N O6 884.7680666 883.7608 TG(17:1_18:2_18:2)_lp_b 8.56 TG(53:5)>TG(17:1_18:2_18:2)_feature1 C56 H98 O6 867.7426166 866.7353 TG(17:1_18:2_18:2)_lp_a 8.33 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature1 C56 H103 N O6 886.7850366 885.7778 TG(53:4)_lp_a 8.33 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 886.7850666 885.7778 TG(53:4)_lp_b 8.68 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 888.8012666 887.794 TG(53:3)_lp_e 9.05 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 888.8010866 887.7938 TG(53:3)_lp_c 8.7 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature2 C56 H105 N O6 888.7918166 887.7845 TG(53:3)_lp_b 8.66 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature1 C56 H105 N O6 888.8016866 887.7944 TG(53:3)_lp_a 8.62 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 888.8024266 887.7952 TG(53:3)_lp_d 8.87 TG(53:2)_M+NH3_feature3 C56 H107 N O6 890.8164766 889.8092 TG(53:2)_lp_c 9.41 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature3 C56 H109 N O6 892.8324466 891.8252 TG(53:1)_lp_c 9.59 TG(52:7)_M+NH3_feature1 C55 H95 N O6 866.7224966 865.7152 TG(52:7)_lp_a 7.61 TG(52:7)_M+NH3_feature2 C55 H95 N O6 866.7225666 865.7153 TG(52:7)_lp_b 7.73 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 868.7385566 867.7313 TG(52:6)_lp_b 7.87 TG(52:6)_M+NH3_feature3 C55 H97 N O6 868.7386666 867.7314 TG(52:6)_lp_c 7.99 TG(52:5)>TG(16:1_18:2_18:2)_feature3 C55 H96 O6 853.7272766 852.72 TG(16:1_18:2_18:2)_lp_c 8.13 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature1 C55 H99 N O6 870.7538466 869.7466 TG(16:1_18:2_18:2)_lp_a 7.8 TG(52:5)>TG(16:0_18:2_18:3)_feature4 C55 H96O6 853.7275066 852.7202 TG(16:1_18:2_18:2)_lp_d 8.24 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature4 C55 H101 N O6 872.7698566 871.7626 TG(16:1_18:1_18:2)_lp_d 8.46 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature5 C55 H101 N O6 872.7698166 871.7625 TG(16:1_18:1_18:2)_lp_e 8.55 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 872.7698066 871.7625 TG(52:4)_lp_f 8.79 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature4 C55 H103 N O6 874.7855066 873.7782 TG(52:3)_lp_d 8.83 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature2 C55 H103 N O6 874.7822166 873.7749 TG(52:3)_lp_b 8.47 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature1 C55 H103 N O6 874.7857066 873.7784 TG(52:3)_lp_a 8.47 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature3 C55 H103 N O6 874.7753066 873.768 TG(52:3)_lp_c 8.76 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature3 C55 H103 N O6 874.7854266 873.7782 TG(16:0_18.1_18:2)_lp_d 8.92 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_feature5 C55 H102O6 859.7751466 858.7679 TG(52:2)_lp_e 9.35 TG(52:2)>TG(16:0_18:1_18:1)_feature7 C55 H102 O6 859.7747166 858.7674 TG(16:0_18:1_18:1)_lp_g 9.28 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_feature3 C55 H104 O6 861.7905466 860.7833 TG(52:1)_lp_c 9.52 TG(52:1)_M+NH3_feature1 C55 H107 N O6 878.8065366 877.7993 TG(52:1)_lp_a 8.84 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 C55 H109 N O6 880.8326066 879.8253 TG(16:0_16:0_20:0)_lp_c 9.69 TG(51:4)>TG(16:1_17:1_18:2)_and_TG(15:0_18:2_18:2)_and_TG(15:1_18:1_18:2)_feature1 C54 H96 O6 841.7274066 840.7201 TG(51:4) 8.33 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_feature1 C54 H101 N O6 860.7696166 859.7623 TG(51:3)_lp_a 8.29 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 H98 O6 843.7431966 842.7359 TG(51:3)_lp_c 8.7 TG(51:2)_M+NH3_feature3 C54 H103 N O6 862.7855966 861.7783 TG(51:2)_lp_c 9.08 TG(51:1)_M+NH3_feature3 C54 H105 N O6 864.8015166 863.7942 TG(51:1)_lp_c 9.43 TG(51:1)_M+NH3_feature1 C54 H105 N O6 864.7998266 863.7926 TG(51:1)_lp_a 9.11 TG(51:0)>TG(16:0_17:0_18:0)_and_TG(16:0_16:0_19:0)_and_TG(15:0_17:0_19:0)_M+NH3_feature1 C54 H107 N O6 866.8168066 865.8095 TG(51:0)_lp_a 9.61 TG(50:6)_M+NH3_feature2 C53 H93 N O6 840.7062666 839.699 TG(50:6)_lp_b 7.68 TG(50:4)>TG(16:1_16:1_18:2)_feature1 C53 H94 O6 827.7118666 826.7046 TG(50:4)_lp_a 8.13 TG(50:3)_M+NH3_feature2 C53 H99 N O6 846.7444366 845.7372 TG(50:3)_lp_b 8.35 TG(50:3)_M+NH3_feature3 C53 H99 N O6 846.7538466 845.7466 TG(50:3)_lp_c 8.48 TG(50:3)_M+NH3_feature1 C53 H99 N O6 846.7522566 845.745 TG(50:3)_lp_a 8.07 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_feature3 C53 H98 O6 831.7432166 830.7359 TG(50:2)_lp_c 8.95 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_feature2 C53 H98 O6 831.7432266 830.736 TG(50:2)_lp_b 8.85 TG(50:1)>TG(16:0_16:0_18:1)_feature4 C53 H100 O6 833.7589566 832.7517 TG(16:0_16:0_18:1)_lp_d 9.3 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 C53 H105 N O6 852.8009666 851.7937 TG(16:0_16:0_18:0)_lp_c 9.53 TG(50:0)_M+NH3_feature1 C53 H105 N O6 852.7918366 851.7846 TG(50:0)_lp_a 8.87 TG(49:4)_M+NH3_feature1 C52 H95 N O6 830.7225166 829.7152 TG(49:4) 7.95 TG(49:3)_M+NH3_feature2 C52 H97 N O6 832.7381066 831.7308 TG(49:3)_lp_b 8.29 TG(49:2)_M+NH3_feature2 C52 H99 N O6 834.7541966 833.7469 TG(49:2)_lp_b 8.64 TG(49:2)_M+NH3_feature3 C52 H99 N O6 834.7539766 833.7467 TG(49:2)_lp_c 8.72 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 836.7698266 835.7626 TG(49:1) 9.1 TG(49:0)>TG(16:0_16:0_17:0)_and_TG(15:0_16:0_18:0)_and_TG(14:0_16:0_19:0)_M+NH3_feature1 C52 H103 N O6 838.7853866 837.7781 TG(49:0) 9.44 TG(48:3)_M+NH3_feature1 C51 H95 N O6 818.7134066 817.7061 TG(48:3)_lp_a 7.77 TG(48:3)_M+NH3_feature2 C51 H95 N O6 818.7226666 817.7154 TG(48:3)_lp_b 8.09 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 820.7378866 819.7306 TG(48:2)_lp_c 8.49 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_feature3 C51 H96 O6 805.7266866 804.7194 TG(48:1)_lp_c 8.87 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature2 C51 H99 N O6 822.7530166 821.7457 TG(48:1)_lp_b 8.44 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 824.7692566 823.762 TG(48:0) 9.33 TG(47:3)_M+NH3_feature2 C50 H93 N O6 804.7066666 803.6994 TG(47:3)_lp_b 7.91 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 790.6914866 789.6842 TG(46:3) 7.73 TG(46:2)_M+NH3_feature2 C49 H93 N O6 792.7068466 791.6996 TG(46:2)_lp_b 8.1 TG(46:2)_M+NH3_feature1 C49 H93 N O6 792.7068266 791.6996 TG(46:2)_lp_a 7.75 TG(46:1)>TG(12:0_16:0_18:1)_and_TG(10:0_18:0_18:1)_and_TG(14:0_16:0_16:1)_M+NH3_feature1 C49 H95 N O6 794.7221566 793.7149 TG(46:1)_lp_a 8.06 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 794.7221566 793.7149 TG(46:1)_lp_b 8.45 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 796.7374466 795.7302 TG(46:0) 8.91 TG(45:2)_M+NH3_feature1 C48 H91 N O6 778.6911166 777.6838 TG(45:2) 7.92 TG(44:2)>TG(10:0_16:1_18:1)_M+NH3_feature2 C47 H89 N O6 764.6759066 763.6686 TG(10:0_16:1_18:1)_lp_b 7.74 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature1 C47 H91 N O6 766.6910666 765.6838 TG(10:0_16:0_18:1)_lp_a 7.71 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature3 C47 H91 N O6 766.6910866 765.6838 TG(10:0_16:0_18:1)_lp_c 8.06 TG(42:5)_M+NH3_feature2 C45 H79 N O6 730.5973066 729.59 TG(42:5)_lp_b 6.86 TG(42:3)_M+NH3_feature1 C45 H83 N O6 734.6284966 733.6212 TG(42:3)_lp_a 7.23 TG(42:1)_M+NH3_feature1 C45 H87 N O6 738.6600566 737.6528 TG(42:1)_lp_a 7.72 TG(42:0)>TG(10:0_16:0_16:0)_and_TG(12:0_14:0_16:0)_M+NH3_feature1 C45 H89 N O6 740.6753866 739.6681 TG(42:0) 8.08 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 C43 H79 N O6 706.5974066 705.5901 TG(4:0_18:1_18:2)_lp_b 6.94 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature3 C43 H81 N O6 708.6130766 707.6058 TG(40:2)_lp_c 7.23 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature2 C43 H81 N O6 708.6125866 707.6053 TG(40:2)_lp_b 6.94 TG(40:1)_M+NH3_feature2 C43 H83 N O6 710.6288466 709.6216 TG(40:1)_lp_b 7.53 TG(40:0)_M+NH3_feature1 C43 H85 N O6 712.6444066 711.6371 TG(40:0)_lp_a 7.73 TG(39:2)_M+NH3_feature1 C42 H79 N O6 694.5967466 693.5895 TG(39:2) 7.06 TG(38:4)>TG(2:0_18:2_18:2)_M+NH3_feature1 C41 H73 N O6 676.5501666 675.5429 TG(2:0_18:2_18:2) 6.21 TG(38:3)>TG(2:0_18:1_18:2)_M+NH3_feature2 C41 H75 N O6 678.5661066 677.5588 TG(2:0_18:1_18:2)_lp_b 6.68 TG(38:2)>TG(4:0_16:1_18:1)_and_TG(4:0_16:0_18:2)_M+NH3_feature2 C41 H77 N O6 680.5820466 679.5748 TG(38:2)_lp_b 6.94 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature3 C41 H79 N O6 682.5969366 681.5897 TG(4:0_16:0_18:1)_lp_c 6.93 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature2 C41 H79 N O6 682.5976166 681.5903 TG(4:0_16:0_18:1)_lp_b 7.2 TG(38:0)>TG(10:0_12:0_16:0)_and_TG(10:0_10:0_18:0)_and_TG(8:0_12:0_18:0)_M+NH3_feature3 C41 H81 N O6 684.6131066 683.6058 TG(38:0)_lp_c 7.54 TG(36:3)>TG(2:0_16:1_18:2)_M+NH3_feature1 C39 H71 N O6 650.5347766 649.5275 TG(2:0_16:1_18:2) 6.06 TG(36:2)>TG(2:0_16:0_18:2)_M+NH3_feature2 C39 H73 N O6 652.5506566 651.5434 TG(2:0_16:0_18:2)_lp_b 6.67 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature3 C39 H75 N O6 654.5660466 653.5588 TG(36:1)_lp_c 6.93 TG(36:0)>TG(4:0_16:0_16:0)_M+NH3_feature4 C39 H77 N O6 656.5817066 655.5744 TG(4:0_16:0_16:0)_lp_d 7.21 TG(34:0)>TG(4:0_14:0_16:0)_M+NH3_feature3 C37 H73 N O6 628.5505366 627.5433 TG(4:0_14:0_16:0)_lp_c 6.93 sulfatide(d41:1-OH)_feature1 C47 H91 N O12 S 894.6329766 893.6257 sulfatide(d41:1-OH) 6.48 sphingosine (C18)_feature1 C18 H37 N O2 300.2890766 299.2818 Sphingosine 1.74 sn-glycero-3-phosphocholine_feature1 C8 H20 N O6 P 258.1095166 257.1022 sn-Glycero-3-phosphocholine 0.77 SM(d44:3)_M+H2CO2_feature1 C49 H95 N2 O6 P 839.6981366 838.6909 SM(d44:3) 6.75 SM(d44:2)_feature1 C49 H97 N2 O6 P 841.7140466 840.7068 SM(d44:2)_lp_a 7.01 SM(d44:2)_feature2 C49 H97 N2 O6 P 841.7139866 840.7067 SM(d44:2)_lp_b 7.1 SM(d44:1)_feature1 C49 H99 N2 O6 P 843.7310166 842.7237 SM(d44:1) 7.51 SM(d43:1)_feature1 C48 H97 N2 O6 P 829.7142066 828.7069 SM(d43:1)_lp_a 7.14 SM(d43:1)_feature2 C48 H97 N2 O6 P 829.7140766 828.7068 SM(d43:1)_lp_b 7.22 SM(d42:3)_feature1 C47 H91 N2 O6 P 811.6675666 810.6603 SM(d42:3)_lp_a 6.27 SM(d42:2)_feature3 C47 H93 N2 O6 P 813.6842066 812.6769 SM(d42:2)_lp_c 6.81 SM(d42:2)_M+H2CO2_feature2 C47 H93 N2 O6 P 813.6841466 812.6769 SM(d42:2)_lp_b 6.52 SM(d42:2)_feature1 C47 H93 N2 O6 P 813.6841266 812.6769 SM(d42:2)_lp_a 6.71 SM(d42:1)_feature2 C47 H95 N2 O6 P 815.6998666 814.6926 SM(d42:1)_lp_b 7.04 SM(d42:0)_M+H2CO2_feature2 C47 H97 N2 O6 P 817.7133566 816.7061 SM(d42:0)_lp_b 7.16 SM(d42:0)_M+H2CO2_feature1 C47 H97 N2 O6 P 817.7055666 816.6983 SM(d42:0)_lp_a 7.04 SM(d41:2)_feature2and3 C46 H91 N2 O6 P 799.6685866 798.6613 SM(d41:2)_lp_bc 6.66 SM(d41:2)_feature1 C46 H91 N2 O6 P 799.6685266 798.6613 SM(d41:2)_lp_a 6.51 SM(d41:1)_M+H2CO2_feature1 C46 H93 N2 O6 P 801.6844366 800.6772 SM(d41:1) 6.9 SM(d40:2)_feature2 C45 H89 N2 O6 P 785.6532466 784.646 SM(d40:2)_lp_b 6.37 SM(d40:2)_feature1 C45 H89 N2 O6 P 785.6533366 784.6461 SM(d40:2)_lp_a 6.14 SM(d40:1-OH)_feature1 C45 H91 N2 O7 P 803.6632666 802.656 SM(d40:1-OH) 6.61 SM(d40:1)_feature2 C45 H91 N2 O6 P 787.6685066 786.6612 SM(d40:1)_lp_b 6.75 SM(d40:0-OH)_M+H2CO2_feature1 C45 H93 N2 O7 P 805.6700866 804.6628 SM(d40:0-OH) 6.66 SM(d39:1)_feature2 C44 H89 N2 O6 P 773.6526566 772.6454 SM(d39:1)_lp_b 6.56 SM(d38:2)_feature2 C43 H85 N2 O6 P 757.6208666 756.6136 SM(d38:2)_lp_b 5.41 SM(d38:1)_feature2 C43 H87 N2 O6 P 759.6372666 758.63 SM(d38:1)_lp_b 6.2 SM(d38:0-OH)_feature1 C43 H89 N2 O7 P 777.6465266 776.6393 SM(d38:0-OH) 5.72 SM(d37:1)_feature1 C42 H85 N2 O6 P 745.6208666 744.6136 SM(d37:1) 5.71 SM(d36:2)_feature1 C41 H81 N2 O6 P 729.5890266 728.5818 SM(d36:2) 4.47 SM(d36:1)_feature1 C41 H83 N2 O6 P 731.6062266 730.599 SM(d36:1) 5.21 SM(d36:0)_feature1 C41 H85 N2 O6 P 733.6210666 732.6138 SM(d36:0) 5.59 SM(d35:2)_feature1 C40 H79 N2 O6 P 715.5737166 714.5664 SM(d35:2) 4.07 SM(d35:1)_feature1 C40 H81 N2 O6 P 717.5896566 716.5824 SM(d35:1) 4.75 SM(d35:0)_feature1 C39 H79 N2 O7 P 719.5685466 718.5613 SM(d35:0) 4.05 SM(d34:2)_feature1 C39 H77 N2 O6 P 701.5588366 700.5516 SM(d34:2) 3.72 SM(d34:1)_feature1 C39 H79 N2 O6 P 703.5742866 702.567 SM(d34:1) 4.32 SM(d34:0-OH)_feature1 C39 H81 N2 O7 P 721.5840866 720.5768 SM(d34:0-OH) 3.95 SM(d34:0)_feature1 C39 H81 N2 O6 P 705.5892866 704.582 SM(d34:0) 4.65 SM(d33:1)_feature1 C38 H77 N2 O6 P 689.5577966 688.5505 SM(d33:1) 3.95 SM(d32:1)_feature1 C37 H75 N2 O6 P 675.5427666 674.5355 SM(d32:1) 3.62 SiE(20:4)_M+NH3_feature3 C49 H83 N O2 718.6489166 717.6416 Sitosterol Ester(20:4)_lp_c 9.58 PS(40:7)_feature1 C46 H76 N O10 P 834.5238066 833.5165 PS(40:7) 4.89 PS(40:6)>PS(18:0_22:6)_feature3 C46 H78 N O10 P 836.6054266 835.5982 PS(18:0_22:6)_lp_c 4.64 PS(40:6)_feature3 C46 H78 N O10 P 836.5417366 835.5345 PS(40:6)_lp_c 4.66 PS(40:5)_feature5 C46 H80 N O10 P 838.5579766 837.5507 PS(40:5)_lp_e 5.22 PS(40:5)_feature3 C46 H80 N O10 P 838.5575166 837.5502 PS(40:5)_lp_c 4.92 PS(40:4)_feature1 C46 H82 N O10 P 840.5731566 839.5659 PS(40:4) 5.5 PS(38:5)_feature1 C44 H76 N O10 P 810.5264266 809.5192 PS(38:5) 4.11 PS(38:4)>PS(18:0_20:4)_feature2 C44 H78 N O10 P 812.5421166 811.5348 PS(18:0_20:4)_lp_b 4.87 PS(38:3)_feature3 C44 H80 N O10 P 814.5576566 813.5504 PS(38:3)_lp_c 5.23 PS(36:2)_feature4 C42 H78 N O10 P 788.5435966 787.5363 PS(36:2)_lp_d 4.98 PS(36:2)>PS(18:1_18:1)_feature3 C42 H78 N O10 P 788.5431566 787.5359 PS(36:2)_lp_c 4.82 PS(36:1)_feature1 C42 H80 N O10 P 790.5363466 789.5291 PS(36:1) 5.09 PI(40:5)>PI(18:0_22:5)_feature1 C49 H85 O13 P 930.6051366 929.5979 PI(18:0_22:5)_lp_a 4.78 PI(38:5)>PI(18:1_20:4)_M+NH3_feature2 C47 H81 O13 P 885.5471666 884.5399 PI(18:1_20:4)_lp_b 4.04 PI(38:4)>PI(18:0_20:4)_feature2 C47 H83 O13 P 887.5628266 886.5556 PI(18:0_20:4)_lp_b 4.77 PI(36:4)>PI(16:0_20:4)_feature1 C45 H79 O13 P 859.5312566 858.524 PI(16:0_20:4) 3.98 PI(34:2)_feature1 C43 H79 O13 P 835.5314466 834.5242 PI(34:2) 4.09 phenylalanine_feature1 C9 H11 N O2 166.0835066 165.0762 Phenylalanine 0.75 PG(36:4)_feature3 C42 H75 O10 P 788.5423466 787.5351 PG(36:4)_lp_c 4.13 PE(O-40:8)>PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 774.5421166 773.5348 PE(O-40:8)_lp_b 4.93 PE(O-40:7)>PE(O-18:2/22:5)_feature8 C45 H78 N O7 P 776.5573366 775.5501 PE(O-40:7)_lp_h 5.29 PE(O-40:7)>PE(O-18:1/22:6)_feature7 C45 H78 N O7 P 776.5583066 775.551 PE(O-18:1/22:6)_lp_g 5.83 PE(O-40:7)>PE(O-18:1/22:6)_feature6 C45 H78 N O7 P 776.6061366 775.5989 PE(O-18:1/22:6)_lp_f 5.76 PE(O-40:6)>PE(O-18:2/22:4)_feature2 C45 H80 N O7 P 778.5731066 777.5658 PE(O-40:6)_lp_b 5.82 PE(O-40:6)>PE(O-18:1/22:5)_feature5 C45 H80 N O7 P 778.5731366 777.5659 PE(O-18:1/22:5)_lp_e 6.39 PE(O-40:6)>PE(O-18:1/22:5)_feature4 C45 H80 N O7 P 778.5730966 777.5658 PE(O-18:1/22:5)_lp_d 6.12 PE(O-40:5)>PE(O-18:1/22:4)_feature4 C45 H82 N O7 P 780.5897666 779.5825 PE(O-18:1/22:4)_lp_d 6.7 PE(O-40:5)>PE(O-18:1/22:4)_feature3 C45 H82 N O7 P 780.5897866 779.5825 PE(O-18:1/22:4)_lp_c 6.57 PE(O-38:7)>PE(O-16:1/22:6)_feature2 C43 H74 N O7 P 748.5270066 747.5197 PE(O-16:1/22:6)_lp_b 4.88 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 750.5416066 749.5343 PE(O-38:6)_lp_b 5.17 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature1 C43 H76 N O7 P 750.5435066 749.5362 PE(O-38:6)_lp_a 4.61 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 752.5587066 751.5514 PE(O-18:1/20:4)_lp_f 6.09 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 752.5587166 751.5514 PE(O-16:1/22:4)_lp_e 5.78 PE(O-38:5)_feature3 C43 H78 N O7 P 752.5588566 751.5516 PE(O-38:5)_lp_c 5.32 PE(O-38:5)_feature2 C43 H78 N O7 P 752.5574966 751.5502 PE(O-38:5)_lp_b 6.67 PE(O-38:5)_feature1 C43 H78 N O7 P 752.5585866 751.5513 PE(O-38:5)_lp_a 5.02 PE(O-38:4)_feature3 C43 H80 N O7 P 754.5744866 753.5672 PE(O-38:4)_lp_c 5.95 PE(O-38:4)_feature4 C43 H80 N O7 P 754.5739666 753.5667 PE(O-38:4)_lp_d 6.26 PE(O-38:2)>PE(O-18:1/20:1)_feature3 C43 H84 N O7 P 758.6050866 757.5978 PE(O-38:2)_lp_c 6.94 PE(O-37:5)>PE(O-17:1/20:4)_feature1 C42 H76 N O7 P 738.5423966 737.5351 PE(O-17:1/20:4)_lp_a 5.42 PE(O-37:5)_feature2 C42 H76 N O7 P 738.5424766 737.5352 PE(O-37:5) 5.6 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 724.5273866 723.5201 PE(O-16:1/20:4)_lp_c 5.13 PE(O-36:5)>PE(O-16:1/20:4)_feature2 C41 H74 N O7 P 724.5274066 723.5201 PE(O-16:1/20:4)_lp_b 4.96 PE(O-36:4)>PE(O-16:1/20:3)_feature3 C41 H76 N O7 P 726.5422166 725.5349 PE(O-36:4)_lp_c 5.8 PE(O-36:3)>PE(O-18:2/18:1)_feature5 C41 H78 N O7 P 728.5579866 727.5507 PE(O-18:2/18:1)_lp_e 6.25 PE(O-36:3)>PE(O-18:2/18:1)_feature4 C41 H78 N O7 P 728.5579666 727.5507 PE(O-18:2/18:1)_lp_d 6.08 PE(O-36:4)_feature1 C41 H76 N O7 P 726.5423666 725.5351 PE(O-37:5)_lp_b 5.3 PE(O-36:2)>PE(O-18:1/18:1)_feature2 C41 H80 N O7 P 730.5740666 729.5668 PE(O-18:1/18:1)_lp_b 6.68 PE(O-34:2)>PE(O-16:1/18:1)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 702.5428666 701.5356 PE(O-34:2)_lp_a 6.04 PE(O-34:1)>PE(O-18:1/16:0)_feature2 C39 H78 N O7 P 704.5580266 703.5508 PE(O-34:1)_lp_b 6.69 PE(O-34:1)_feature1 C39 H78 N O7 P 704.5579066 703.5506 PE(O-34:1)_lp_a 6.17 PE(O-32:1)>PE(O-16:1/16:0)_feature1 C37 H74 N O7 P 676.5274266 675.5202 PE(O-16:1/16:0)_lp_a 5.98 PE(O-32:1)>PE(O-16:1/16:0)_feature2 C37 H74 N O7 P 676.5266566 675.5194 PE(O-16:1/16:0)_lp_b 6.09 PE(42:10)_feature1 C47 H74 N O8 P 812.5216066 811.5143 PE(42:10)_lp_a 3.8 PE(40:8)_feature1 C45 H74 N O8 P 788.5213866 787.5141 PE(40:8) 3.96 PE(40:7)_feature3 C45 H76 N O8 P 790.5359866 789.5287 PE(40:7)_lp_c 4.53 PE(40:7)_feature1 C45 H76 N O8 P 790.5369066 789.5296 PE(40:7)_lp_a 3.91 PE(40:6)_feature3 C45 H78 N O8 P 792.5513166 791.544 PE(40:6)_lp_c 6.01 PE(40:6)_feature2 C45 H78 N O8 P 792.5532066 791.5459 PE(40:6)_lp_b 5.38 PE(40:5)_feature2 C45 H80 N O8 P 794.5667166 793.5594 PE(40:5)_lp_b 4.82 PE(40:5)_feature3 C45 H80 N O8 P 794.5673466 793.5601 PE(40:5)_lp_c 5.67 PE(40:4)>PE(18:0_22:4)_feature1 C45 H82 N O8 P 796.5848966 795.5776 PE(18:0_22:4)_lp_a 6.19 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 796.5833766 795.5761 PE(18:0_22:4)_lp_b 6.25 PE(40:4)>PE(18:0_22:4)_feature3 C45 H82 N O8 P 796.5835666 795.5763 PE(18:0_22:4)_lp_c 6.49 PE(38:6)_feature3 C43 H74 N O8 P 764.5217366 763.5145 PE(38:6)_lp_c 4.48 PE(38:6)_feature2 C43 H74 N O8 P 764.5216566 763.5144 PE(38:6)_lp_b 4.13 PE(38:5)>PE(18:1_20:4)_feature3 C43 H76 N O8 P 766.5373466 765.5301 PE(18:1_20:4)_lp_c 4.76 PE(38:5)>PE(18:1_20:4)_feature8 C43 H76 N O8 P 766.5351666 765.5279 PE(18:1_20:4)_lp_h 5.79 PE(38:5)>PE(18:1_20:4)_feature7 C43 H76 N O8 P 766.5357866 765.5285 PE(18:1_20:4)_lp_g 5.58 PE(38:5)_feature5 C43 H76 N O8 P 766.5423866 765.5351 PE(38:5)_lp_e 5.02 PE(38:5)_feature2 C43 H76 N O8 P 766.5352866 765.528 PE(38:5)_lp_b 4.2 PE(38:4)>PE(18:0_20:4)_feature8 C43 H78 N O8 P 768.5508466 767.5436 PE(18:0_20:4)_lp_h 6.52 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 768.5537166 767.5464 PE(18:0_20:4)_lp_e 5.64 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 770.5694166 769.5621 PE(18:0_20:3)_lp_c 6.02 PE(38:3)>PE(18:0_20:3)_feature4 C43 H80 N O8 P 770.5694066 769.5621 PE(18:0_20:3)_lp_d 6.28 PE(38:3)>PE(18:0_20:3)_feature2 C43 H80 N O8 P 770.5694666 769.5622 PE(18:0_20:3)_lp_b 5.78 PE(36:5)_feature2 C41 H72 N O8 P 738.5055566 737.4983 PE(36:5)_lp_b 3.98 PE(36:5)_feature3 C41 H72 N O8 P 738.5055566 737.4983 PE(36:5)_lp_c 4.19 PE(36:4)>PE(16:0_20:4)_feature1 C41 H74 N O8 P 740.5220466 739.5148 PE(16:0_20:4)_lp_a 4.26 PE(36:4)>PE(16:0_20:4)_feature5 C41 H74 N O8 P 740.5190766 739.5118 PE(16:0_20:4)_lp_e 5.54 PE(36:4)_feature3 C41 H74 N O8 P 740.5220266 739.5148 PE(36:4)_lp_c 4.69 PE(36:3)_feature1 C41 H76 N O8 P 742.5376866 741.5304 PE(36:3)_lp_a 4.89 PE(36:2)>PE(18:2_18:0)_feature2 C41 H78 N O8 P 744.5547566 743.5475 PE(36:2)_lp_b 5.6 PE(36:2)>PE(18:2_18:0)_feature3 C41 H78 N O8 P 744.5545766 743.5473 PE(36:2)_lp_c 5.78 PE(36:1)_feature1 C41 H80 N O8 P 746.5686666 745.5614 PE(36:1)_lp_a 5.45 PE(36:1)_feature3 C41 H80 N O8 P 746.5698766 745.5626 PE(36:1)_lp_c 6.43 PE(34:2)_feature2 C39 H74 N O8 P 716.5216466 715.5144 PE(34:2)_lp_b 4.85 PE(34:1)_feature2 C39 H76 N O8 P 718.5372866 717.53 PE(34:1)_lp_b 5.54 PE(34:1)_feature1 C39 H76 N O8 P 718.5370466 717.5298 PE(34:1)_lp_a 5.39 PC(O-40:7)_feature3 C48 H84 N O7 P 818.6047166 817.5974 PC(O-40:7)_lp_c 5.55 PC(O-40:7)_feature5 C48 H84 N O7 P 818.6124266 817.6052 PC(O-40:7)_lp_e 7.46 PC(O-40:7)_feature4 C48 H84 N O7 P 818.6123766 817.6051 PC(O-40:7)_lp_d 7.24 PC(O-40:7)_feature1 C48 H84 N O7 P 818.6039866 817.5967 PC(O-40:7)_lp_a 4.81 PC(O-40:6)_feature1 C48 H86 N O7 P 820.6206366 819.6134 PC(O-40:6)_lp_a 5.1 PC(O-40:6)_feature3 C48 H86 N O7 P 820.6209766 819.6137 PC(O-40:6)_lp_c 5.59 PC(O-40:6)_feature5 C48 H86 N O7 P 820.6200966 819.6128 PC(O-40:6)_lp_e 5.73 PC(O-40:4)_feature1 C48 H90 N O7 P 824.6540566 823.6468 PC(O-40:4)_lp_a 6.37 PC(O-38:7)_feature2 C46 H80 N O7 P 790.5721966 789.5649 PC(O-38:7)_lp_b 4.62 PC(O-38:7)_feature1 C46 H80 N O7 P 790.5734366 789.5662 PC(O-38:7)_lp_a 4.26 PC(O-38:6)_feature1 C46 H82 N O7 P 792.5887766 791.5815 PC(O-38:6)_lp_a 4.37 PC(O-38:6)_feature2 C46 H82 N O7 P 792.5890466 791.5818 PC(O-38:6)_lp_b 4.78 PC(O-38:5)_feature1 C46 H84 N O7 P 794.6049366 793.5977 PC(O-38:5)_lp_a 5.05 PC(O-38:5)_feature3 C46 H84 N O7 P 794.6049566 793.5977 PC(O-38:5)_lp_c 5.81 PC(O-38:4)_feature7 C46 H86 N O7 P 796.6217766 795.6145 PC(O-38:4)_lp_g 6.04 PC(O-37:5)_feature2 C45 H82 N O7 P 780.5884866 779.5812 PC(O-37:5)_lp_b 5.31 PC(O-36:5)_feature5 C44 H80 N O7 P 766.5732766 765.566 PC(O-36:5)_lp_e 4.86 PC(O-36:5)_feature1 C44 H80 N O7 P 766.5721066 765.5648 PC(O-36:5)_lp_a 4.24 PC(O-36:4)_feature4 C44 H82 N O7 P 768.5898366 767.5826 PC(O-36:4)_lp_d 5.02 PC(O-36:4)_feature5 C45 H78 N5 O3 P 768.5536966 767.5464 PC(O-36:4)_lp_e 5.31 PC(O-36:3)_feature1 C44 H84 N O7 P 770.6034866 769.5962 PC(O-36:3)_lp_a 5.19 PC(O-36:3)_feature3 C44 H84 N O7 P 770.6049466 769.5977 PC(O-36:3)_lp_c 5.79 PC(O-36:2)_feature2 C44 H86 N O7 P 772.6211366 771.6139 PC(O-36:2)_lp_b 6.56 PC(O-36:2)_feature1 C44 H86 N O7 P 772.6209766 771.6137 PC(O-36:2)_lp_a 6.15 PC(O-36:1)_feature1 C44 H88 N O7 P 774.6426966 773.6354 PC(O-36:1)_lp_a 6.05 PC(O-36:1)_feature3 C44 H88 N O7 P 774.6366966 773.6294 PC(O-36:1)_lp_c 6.29 PC(O-36:1)_feature2 C44 H88 N O7 P 774.6448466 773.6376 PC(O-36:1)_lp_b 6.05 PC(O-36:1)_feature4 C44 H88 N O7 P 774.6368566 773.6296 PC(O-36:1)_lp_d 6.64 PC(O-36:0)_feature1 C44 H90 N O7 P 776.6524466 775.6452 PC(O-36:0) 6.93 PC(O-34:2)_feature2 C42 H82 N O7 P 744.5893666 743.5821 PC(O-34:2)_lp_b 5.74 PC(O-34:2)_feature1 C42 H82 N O7 P 744.5885566 743.5813 PC(O-34:2)_lp_a 5.14 PC(O-34:1)_feature1 C42 H84 N O7 P 746.6132466 745.606 PC(O-34:1)_lp_a 5.06 PC(O-34:1)_feature2 C42 H84 N O7 P 746.6054666 745.5982 PC(O-34:1)_lp_b 5.85 PC(O-34:0)_feature1 C42 H86 N O7 P 748.6210766 747.6138 PC(O-34:0) 6.61 PC(O-33:0)_feature4 C41 H84 N O7 P 734.6052066 733.5979 PC(O-33:0)_lp_d 6.3 PC(O-33:0)_feature1 C41 H84 N O7 P 734.6051966 733.5979 PC(O-33:0)_lp_a 6.12 PC(O-32:1)_feature2 C40 H80 N O7 P 718.5737566 717.5665 PC(O-32:1)_lp_b 5.69 PC(O-32:1)_feature1 C40 H80 N O7 P 718.5736666 717.5664 PC(O-32:1)_lp_a 4.93 PC(O-32:0)_feature1 C40 H82 N O7 P 720.5899366 719.5827 PC(O-32:0) 5.83 PC(O-31:0)_feature2 C39 H80 N O7 P 706.5732666 705.566 PC(O-31:0)_lp_b 5.33 PC(O-30:0)_feature1 C38 H78 N O7 P 692.5577866 691.5505 PC(O-30:0) 4.89 PC(46:5)_feature1 C54 H98 N O8 P 920.7090666 919.7018 PC(46:5)_lp_a 7.01 PC(44:8)_feature2 C52 H88 N O8 P 886.6309966 885.6237 PC(44:8)_lp_b 4.98 PC(44:5)_feature2 C52 H94 N O8 P 892.6772366 891.67 PC(44:5)_lp_b 6.74 PC(44:4)_feature2 C52 H96 N O8 P 894.6926266 893.6854 PC(44:4)_lp_b 7.06 PC(44:12)_feature1 C52 H80 N O8 P 878.5685666 877.5613 PC(44:12) 3.5 PC(43:4)_feature1 C51 H94 N O8 P 880.6778066 879.6705 PC(43:4) 6.92 PC(42:9)_feature1 C50 H82 N O8 P 856.5833266 855.5761 PC(42:9)_lp_a 3.85 PC(42:9)_feature3 C50 H82 N O8 P 856.5833166 855.576 PC(42:9)_lp_c 4.06 PC(42:8)_feature2 C50 H84 N O8 P 858.5987466 857.5915 PC(42:8)_lp_b 4.31 PC(42:7)_feature4 C50 H86 N O8 P 860.6147566 859.6075 PC(42:7)_lp_d 5.11 PC(42:7)_feature2 C50 H86 N O8 P 860.6145666 859.6073 PC(42:7)_lp_b 4.81 PC(42:6)_feature1 C50 H88 N O8 P 862.6306066 861.6233 PC(42:6)_lp_a 5.14 PC(42:6)_feature2 C50 H88 N O8 P 862.6305866 861.6233 PC(42:6)_lp_b 5.48 PC(42:6)_feature3 C50 H88 N O8 P 862.6305966 861.6233 PC(42:6)_lp_c 5.7 PC(42:5)_feature4 C50 H90 N O8 P 864.6460766 863.6388 PC(42:5)_lp_d 6.12 PC(42:5)_feature6 C50 H90 N O8 P 864.6461666 863.6389 PC(42:5)_lp_f 6.26 PC(42:5)_feature1 C50 H90 N O8 P 864.6459766 863.6387 PC(42:5)_lp_a 5.83 PC(42:4)_feature2 C50 H92 N O8 P 866.6618366 865.6546 PC(42:4)_lp_b 6.57 PC(42:4)_feature3 C50 H92 N O8 P 866.6617566 865.6545 PC(42:4)_lp_c 6.78 PC(42:3)_feature1 C50 H94 N O8 P 868.6832266 867.676 PC(42:3)_lp_a 6.92 PC(42:2)_feature1 C50 H96 N O8 P 870.6934266 869.6862 PC(42:2)_lp_a 7.11 PC(42:1)_feature2 C50 H98 N O8 P 872.7096166 871.7023 PC(42:1)_lp_b 7.35 PC(41:6)_feature3 C49 H86 N O8 P 848.6157466 847.6085 PC(41:6)_lp_c 5.62 PC(41:3)_feature1 C50 H80 N O8 P 854.5688266 853.5616 PC(41:3) 3.64 PC(40:8)_feature1 C48 H80 N O8 P 830.5688166 829.5615 PC(40:8) 3.8 PC(40:7)_feature2 C48 H82 N O8 P 832.5832066 831.5759 PC(40:7)_lp_b 4.12 PC(40:7)_feature3 C48 H82 N O8 P 832.5828166 831.5755 PC(40:7)_lp_c 4.32 PC(40:7)_feature1 C48 H82 N O8 P 832.5827666 831.5755 PC(40:7)_lp_a 3.98 PC(40:6)_feature3 C48 H84 N O8 P 834.6000866 833.5928 PC(40:6)_lp_c 5.13 PC(40:5)_feature3 C48 H86 N O8 P 836.6141166 835.6068 PC(40:5)_lp_c 5.38 PC(40:5)_feature4 C48 H86 N O8 P 836.6141066 835.6068 PC(40:5)_lp_d 5.73 PC(40:5)_feature1 C48 H86 N O8 P 836.6139666 835.6067 PC(40:5)_lp_a 4.99 PC(40:5)_feature2 C48 H86 N O8 P 836.6147066 835.6074 PC(40:5)_lp_b 5.07 PC(40:4)_feature2 C48 H88 N O8 P 838.6311566 837.6239 PC(40:4)_lp_b 6.05 PC(40:4)_feature3 C48 H88 N O8 P 838.6311666 837.6239 PC(40:4)_lp_c 6.33 PC(40:4)_feature1 C48 H88 N O8 P 838.6313266 837.6241 PC(40:4)_lp_a 5.79 PC(40:2)_feature2 C48 H92 N O8 P 842.6612666 841.654 PC(40:2)_lp_b 6.83 PC(40:2)_feature1 C48 H92 N O8 P 842.6612566 841.654 PC(40:2)_lp_a 6.73 PC(40:1)_feature1 C48 H94 N O8 P 844.6768866 843.6696 PC(40:1) 7.02 PC(40:0)_feature1 C48 H96 N O8 P 846.6940766 845.6868 PC(40:0) 7.34 PC(39:6)_feature2 C47 H82 N O8 P 820.5823366 819.5751 PC(39:6)_lp_b 4.51 PC(39:6)_feature1 C47 H82 N O8 P 820.5831566 819.5759 PC(39:6)_lp_a 4.27 PC(39:6)_feature3 C47 H82 N O8 P 820.5831366 819.5759 PC(39:6)_lp_c 4.69 PC(39:5)_feature1 C47 H84 N O8 P 822.5997966 821.5925 PC(39:5)_lp_a 4.23 PC(39:5)_feature6 C47 H84 N O8 P 822.5977466 821.5905 PC(39:5)_lp_f 5.84 PC(39:5)_feature10 C47 H84 N O8 P 822.5995366 821.5923 PC(39:5)_lp_j 6.45 PC(39:5)_feature3 C47 H84 N O8 P 822.5988966 821.5916 PC(39:5)_lp_c 4.93 PC(39:5)_feature7 C47 H84 N O8 P 822.5980866 821.5908 PC(39:5)_lp_g 6.02 PC(39:4)_feature5 C47 H86 N O8 P 824.6153066 823.608 PC(39:4)_lp_e 5.86 PC(39:4)_feature4 C47 H86 N O8 P 824.6151066 823.6078 PC(39:4)_lp_d 5.68 PC(39:3)_feature1 C47 H88 N O8 P 826.5704666 825.5632 PC(39:3)_lp_a 6.22 PC(38:7)_feature1 C46 H78 N O8 P 804.5497166 803.5424 PC(38:7)_lp_a 3.54 PC(38:7)_feature2 C46 H78 N O8 P 804.5523666 803.5451 PC(38:7)_lp_b 3.58 PC(38:6)_feature2 C46 H80 N O8 P 806.5688466 805.5616 PC(38:6)_lp_b 4.27 PC(38:6)_feature3 C46 H80 N O8 P 806.5671566 805.5599 PC(38:6)_lp_c 4.65 PC(38:6)_feature1 C46 H80 N O8 P 806.5688266 805.5616 PC(38:6)_lp_a 3.95 PC(38:5)_feature5 C46 H82 N O8 P 808.5834366 807.5762 PC(38:5)_lp_e 4.81 PC(38:5)_feature3 C46 H82 N O8 P 808.5835566 807.5763 PC(38:5)_lp_c 4.53 PC(38:4)_feature4 C46 H84 N O8 P 810.6005066 809.5932 PC(38:4)_lp_d 5.37 PC(38:3)_feature3 C46 H86 N O8 P 812.6159366 811.6087 PC(38:3)_lp_c 5.77 PC(38:3)_feature4 C46 H86 N O8 P 812.6161466 811.6089 PC(38:3)_lp_d 6.07 PC(38:2)_feature3 C46 H88 N O8 P 814.6302566 813.623 PC(38:2)_lp_c 6.21 PC(38:2)_feature7 C46 H88 N O8 P 814.6322266 813.625 PC(38:2)_lp_g 7.04 PC(38:0)_feature1 C46 H92 N O8 P 818.6609266 817.6537 PC(38:0) 7.02 PC(37:6)_feature5 C45 H78 N O8 P 792.5527966 791.5455 PC(37:6)_lp_e 4.86 PC(37:6)_feature4 C45 H78 N O8 P 792.5538366 791.5466 PC(37:6)_lp_d 4.92 PC(37:6)_feature1 C45 H78 N O8 P 792.5530066 791.5457 PC(37:6)_lp_a 3.92 PC(37:4)_feature6 C45 H82 N O8 P 796.5837866 795.5765 PC(37:4)_lp_f 6.11 PC(37:4)_feature2 C45 H82 N O8 P 796.5838466 795.5766 PC(37:4)_lp_b 4.74 PC(37:4)_feature3 C45 H82 N O8 P 796.5837066 795.5764 PC(37:4)_lp_c 4.91 PC(37:3)_feature2 C45 H84 N O8 P 798.5978866 797.5906 PC(37:3)_lp_b 5.27 PC(37:3)_feature1 C45 H84 N O8 P 798.5996166 797.5923 PC(37:3)_lp_a 5.09 PC(37:2)_feature1 C45 H86 N O8 P 800.6153366 799.6081 PC(37:2)_lp_a 5.8 PC(37:2)_feature3 C45 H86 N O8 P 800.6160666 799.6088 PC(37:2)_lp_c 6.81 PC(37:2)_feature2 C45 H86 N O8 P 800.6152666 799.608 PC(37:2)_lp_b 6.05 PC(37:1)_feature3 C45 H88 N O8 P 802.6314966 801.6242 PC(37:1)_lp_c 6.56 PC(36:6)_feature3 C44 H76 N O8 P 778.5352166 777.5279 PC(36:6)_lp_c 3.59 PC(36:5)_feature1 C44 H78 N O8 P 780.5531566 779.5459 PC(36:5)_lp_a 3.63 PC(36:5)_feature5 C44 H78 N O8 P 780.5592566 779.552 PC(36:5)_lp_e 5.28 PC(36:5)_feature6 C44 H78 N O8 P 780.5530066 779.5457 PC(36:5)_lp_f 5.34 PC(36:5)_feature4 C44 H78 N O8 P 780.5528466 779.5456 PC(36:5)_lp_d 4.28 PC(36:5)_feature2 C44 H78 N O8 P 780.5528866 779.5456 PC(36:5)_lp_b 3.81 PC(36:5)_feature3 C44 H78 N O8 P 780.5528466 779.5456 PC(36:5)_lp_c 3.99 PC(36:4)_feature2 C44 H80 N O8 P 782.5687066 781.5614 PC(36:4)_lp_b 4.06 PC(36:4)_feature3 C44 H80 N O8 P 782.5688166 781.5615 PC(36:4)_lp_c 4.47 PC(36:3)_feature1 C44 H82 N O8 P 784.5840666 783.5768 PC(36:3)_lp_a 3.98 PC(36:3)_feature2 C44 H82 N O8 P 784.5836466 783.5764 PC(36:3)_lp_b 4.66 PC(36:3)_feature8 C44 H82 N O8 P 784.5833166 783.576 PC(36:3)_lp_h 5.74 PC(36:3)_feature3 C44 H82 N O8 P 784.5836566 783.5764 PC(36:3)_lp_c 4.83 PC(36:2)_feature2 C44 H84 N O8 P 786.6007966 785.5935 PC(36:2)_lp_b 5.33 PC(36:2)_feature3 C44 H84 N O8 P 786.6007666 785.5935 PC(36:2)_lp_c 5.53 PC(36:1)_feature1 C44 H86 N O8 P 788.6162366 787.609 PC(36:1)_lp_a 6.23 PC(36:0)_feature3 C44 H88 N O8 P 790.6310666 789.6238 PC(36:0)_lp_c 6.72 PC(35:4)_feature2 C43 H78 N O8 P 768.5532366 767.546 PC(35:4)_lp_b 4.08 PC(35:3)_feature4 C43 H80 N O8 P 770.5686366 769.5614 PC(35:3)_lp_d 4.98 PC(35:3)_feature1 C43 H80 N O8 P 770.5682666 769.561 PC(35:3)_lp_a 4.27 PC(35:3)_feature2 C43 H80 N O8 P 770.5682166 769.5609 PC(35:3)_lp_c 4.55 PC(35:2)_feature1 C43 H82 N O8 P 772.5842766 771.577 PC(35:2)_lp_a 4.9 PC(35:2)_feature5 C43 H82 N O8 P 772.5850266 771.5778 PC(35:2)_lp_e 6.57 PC(35:2)_feature2 C43 H82 N O8 P 772.5842966 771.577 PC(35:2)_lp_b 5.06 PC(35:1)_feature1 C43 H84 N O8 P 774.5999066 773.5926 PC(35:1)_lp_a 5.76 PC(35:0)_feature3 C43 H86 N O8 P 776.6164466 775.6092 PC(35:0)_lp_c 6.54 PC(35:0)_feature1 C43 H86 N O8 P 776.6166366 775.6094 PC(35:0)_lp_a 6.09 PC(35:0)_feature2 C43 H86 N O8 P 776.6164866 775.6092 PC(35:0)_lp_b 6.4 PC(34:4)_feature4 C42 H76 N O8 P 754.5362166 753.5289 PC(34:4)_lp_d 4.96 PC(34:4)_feature2 C42 H76 N O8 P 754.5342466 753.527 PC(34:4)_lp_b 4.55 PC(34:4)_feature1 C42 H76 N O8 P 754.5372066 753.5299 PC(34:4)_lp_a 3.74 PC(34:4)_feature3 C42 H76 N O8 P 754.5365066 753.5292 PC(34:4)_lp_c 4.74 PC(34:3)_feature2 C42 H78 N O8 P 756.5529866 755.5457 PC(34:3)_lp_b 4.06 PC(34:3)_feature1 C42 H78 N O8 P 756.5528366 755.5456 PC(34:3)_lp_a 3.93 PC(34:2)_feature1 C42 H80 N O8 P 758.5689966 757.5617 PC(34:2)_lp_a 4.6 PC(34:1)_feature2 C42 H82 N O8 P 760.5846966 759.5774 PC(34:1)_lp_b 5.27 PC(34:0)_feature3 C42 H84 N O8 P 762.6003166 761.593 PC(34:1)_lp_c 6.16 PC(33:1)_feature1 C41 H80 N O8 P 746.5690066 745.5617 PC(33:1)_lp_a 4.84 PC(33:0)_feature3 C41 H82 N O8 P 748.5847266 747.5775 PC(33:0)_lp_c 5.7 PC(32:3)_feature1 C40 H74 N O8 P 728.5214566 727.5142 PC(32:3)_lp_a 3.75 PC(32:2)_feature3 C40 H76 N O8 P 730.5372866 729.53 PC(32:2)_lp_c 4.24 PC(32:2)_feature2 C40 H76 N O8 P 730.5372466 729.53 PC(32:2)_lp_b 3.95 PC(32:2)_feature1 C40 H76 N O8 P 730.5373166 729.53 PC(32:2)_lp_a 3.84 PC(32:1)_feature1 C40 H78 N O8 P 732.5525666 731.5453 PC(32:1)_lp_a 4.42 PC(32:0)_feature2 C40 H80 N O8 P 734.5692066 733.5619 PC(32:0)_lp_b 5.19 PC(31:1)_feature2 C39 H76 N O8 P 718.5369166 717.5296 PC(31:1)_lp_b 4.33 PC(31:0)_feature2 C39 H78 N O8 P 720.5528366 719.5456 PC(31:0)_lp_b 4.75 PC(30:0)_feature1 C38 H76 N O8 P 706.5362166 705.5289 PC(30:0)_lp_a 4.34 PC(30:0)_feature2 C38 H76 N O8 P 706.5368166 705.5295 PC(30:0)_lp_b 4.9 PA(34:1)_M+NH3_feature1 C37 H74 N O8 P 692.5212166 691.5139 PA(34:1)_lp_a 5.25 PA(34:1)_M+NH3_feature2 C37 H71 O8 P 692.5214666 691.5142 PA(34:1)_lp_b 5.46 LPE(O-18:2)_feature1 C23 H46 N O6 P 464.3128766 463.3056 LPE(O-18:2) 2.26 LPE(18:1)>LPE(18:1/0:0)_and_LPE(0:0/18:1)_feature1and2 C23 H46 N O7 P 480.3079566 479.3007 LPE(18:1)_lp_ab 2.15 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 C23 H48 N O7 P 482.3233566 481.3161 LPE(18:0)_lp_ab 2.4 LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_feature1and2 C21 H44 N O7 P 454.2920266 453.2848 LPE(16:0)_lp_ab 2.08 LPC(26:0)>LPC(26:0/0:0)_feature2 C34 H70 N O7 P 636.4951166 635.4878 LPC(26:0)_lp_b 4.69 LPC(24:1)>LPC(24:1/0:0)_feature2 C32 H64 N O7 P 606.4485866 605.4413 LPC(24:1)_lp_b 3.16 LPC(24:0)>LPC(24:0/0:0)_feature2 C32 H66 N O7 P 608.4641666 607.4569 LPC(24:0)_lp_b 3.84 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 C30 H50 N O7 P 568.3387966 567.3315 LPC(22:6)_lp_ab 1.67 LPC(22:0)>LPC(22:0/0:0)_feature2 C30 H62 N O7 P 580.4329766 579.4257 LPC(22:0)_lp_b 3.19 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 C28 H50 N O7 P 544.3388766 543.3316 LPC(20:4)_lp_ab 1.72 LPC(20:1)>LPC(20:1/0:0)_feature2 C28 H56 N O7 P 550.3855666 549.3783 LPC(20:1)_lp_b 2.38 LPC(20:0)>LPC(20:0/0:0)_and_LPC(0:0/20:0)_feature1and2 C28 H58 N O7 P 552.4014866 551.3942 LPC(20:0)_lp_ab 2.72 LPC(19:0)>LPC(19:0/0:0)_feature2 C27 H56 N O7 P 538.3861466 537.3789 LPC(19:0)_lp_b 2.52 LPC(18:2)>LPC(0:0/18:2)_feature1 C26 H50 N O7 P 520.3388166 519.3315 LPC(18:2)_lp_a 1.73 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 C26 H50 N O7 P 520.3387666 519.3315 LPC(18:2)_lp_ab 1.8 LPC(18:1)>LPC(0:0/18:1)_feature1 C26 H52 N O7 P 522.3551066 521.3478 LPC(18:1)_lp_a 2.02 LPC(18:1)>LPC(18:1/0:0)_feature2 C26 H52 N O7 P 522.3550666 521.3478 LPC(18:1)_lp_b 2.1 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_feature1and2 C26 H54 N O7 P 524.3705466 523.3633 LPC(18:0)_lp_ab 2.36 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 C25 H52 N O7 P 510.3550666 509.3478 LPC(17:0)_lp_ab 2.21 LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature1and2 C24 H48 N O7 P 494.3232866 493.316 LPC(16:1)_lp_ab 1.69 LPC(16:0)>LPC(16:0/0:0)_feature2 C24 H50 N O7 P 496.3391966 495.3319 LPC(16:0)_lp_b 2.04 HexCer(t42:0)>HexCer(t18:0/24:0-OH)_feature1 C48 H95 N O10 846.7015366 845.6943 HexCer(t18:0_24:0-OH) 6.91 HexCer(t40:0-OH)>HexCer(t18:0_22:0-OH)_feature1 C46 H91 N O10 818.6707166 817.6634 HexCer(t18:0/22:0-OH) 6.6 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature2 C48 H93 N O9 828.6911066 827.6838 HexCer(d18:1/24:0-OH)_lp_b 6.68 HexCer(d42:1)>HexCer(d18:1/24:0)_feature2 C48 H93 N O8 812.6974166 811.6901 HexCer(d42:1)_lp_b 7.1 HexCer(d41:1-OH)>HexCer(d18:1/23:0-OH)_feature1 C47 H91 N O9 814.6763766 813.6691 HexCer(d18:1/23:0-OH)_lp_a 6.48 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature2 C46 H89 N O9 800.6596466 799.6524 HexCer(d18:1/22:0-OH)_lp_b 6.74 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature1 C46 H89 N O9 800.6593266 799.6521 HexCer(d18:1/22:0-OH)_lp_a 6.13 HexCer(d40:1)>HexCer(d18:1_22:0)_feature2 C46 H89 N O8 784.6651866 783.6579 HexCer(d40:1)_lp_b 6.82 HexCer(d36:1)>HexCer(d18:1/18:0)_feature1 C42 H81 N O8 728.6018766 727.5946 HexCer(d36:1) 5.51 HexCer(d34:1)>HexCer(d18:1/16:0)_feature1 C40 H77 N O8 700.5708466 699.5636 HexCer(d34:1) 4.57 erucamide_feature1 C22 H43 N O 338.3411766 337.3339 13-Docosenamide 3.22 EA(18:0)_feature1 C20 H41 N O2 328.3203966 327.3131 Stearoyl-EA 3.18 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 C43 H75 N O5 686.5713366 685.5641 DG(40:6)_lp_f 6.62 DG(40:4)>DG(18:0_22:4_0:0)_M+NH3_feature3 C43 H79 N O5 690.6020566 689.5948 DG(18:0_22:4)_lp_c 6.93 DG(38:6)>DG(18:2_20:4_0:0)_M+NH3_feature1 C41 H71 N O5 658.5392966 657.532 DG(18:2_20:4)_lp_a 5.39 DG(38:5)>DG(18:1_20:4_0:0)_feature2 C41 H70 O5 643.5286466 642.5214 DG(18:1_20:4)_lp_b 6.14 DG(38:4)>DG(18:0_20:4_0:0)_feature6 C41 H72 O5 645.5443066 644.537 DG(18:0_20:4)_lp_f 6.73 DG(36:4)>DG18:2_18:2_0:0)_feature1 C39 H66 O5 615.4976266 614.4904 DG(18:2_18:3)_lp_a 4.96 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 C39 H68 O5 617.5132166 616.5059 DG(16:0_20:4)_lp_b 6.12 DG(36:5)>DG(18:2_18:3_0:0)_M+NH3_feature1 C39 H71 N O5 617.5132166 616.5059 DG(36:4)_lp_a 5.61 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 C39 H70 O5 619.5291166 618.5218 DG(18:1_18:2)_lp_c 6.34 DG(36:2)>DG(18:1_18:1_0:0)_feature3 C39 H72 O5 621.5441766 620.5369 DG(18:1_18:1)_lp_c 6.73 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature4 C39 H72 O5 621.5441866 620.5369 DG(18:0_18:2)_lp_d 6.8 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature2 C39 H75 N O5 638.5710266 637.5638 DG(18:0_18:2)_lp_b 6.33 DG(34:2)>DG(16:0_18:2_0:0)_M+NH4_feature5 C37 H71 N O5 610.5401266 609.5329 DG(16:0_18:2)_lp_e 6.48 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature3 C37 H68 O5 593.5135166 592.5062 DG(16:0_18:2)_lp_c 6.32 DG(34:1)>DG(16:0_18:1_0:0)_M+NH3_feature2 C37 H70 O5 595.5285966 594.5213 DG(16:0_18:1)_lp_b 6.72 DG(32:1)>DG(16:0_16:1_0:0)_M+NH3_feature1 C35 H69 N O5 584.5240666 583.5168 DG(16:0_16:1) 6.14 coenzyme(Q9)_feature1 C54 H82 O4 795.6284166 794.6211 Coenzyme Q9 7.58 coenzyme(Q8)_feature1 C49 H74 O4 727.5649166 726.5576 Coenzyme(Q8) 7.1 Coenzyme Q10_feature1 C59 H90 O4 863.6896566 862.6824 Coenzyme Q10 8.11 cholesterol_M-H2O_feature1 C27 H44 369.3507666 368.3435 Cholesterol 4.88 HexCer(t42:1)>HexCer(t18:0/24:1)_feature1 C42 H83 N O4 666.6387066 665.6314 HexCer(t18:0/24:1)_lp_a 6.91 Cer(m34:2)>Cer(m18:1/16:1)_feature2 C34 H65 N O2 520.5080566 519.5008 Cer(m18:1/16:1)_lp_b 8.42 Cer(m34:2)>Cer(m18:1/16:1)_feature1 C34 H65 N O2 520.5081466 519.5009 Cer(m18:1/16:1)_lp_a 8.03 Cer(d44:2)>Cer(d18:1/26:1)_feature1 C44 H85 N O3 676.6596066 675.6523 Cer(d18:1/26:1)_lp_a 7.51 Cer(d44:1)>Cer(d18:1/26:0)_feature1 C44 H87 N O3 678.6753166 677.668 Cer(d18:1/26:0) 7.77 Cer(d43:1)>Cer(d18:1/25:0)_feature1and2 C43 H85 N O3 664.6594466 663.6522 Cer(d18:1/25:0)_lp_ab 7.6 Cer(d42:3)_feature1 C42 H79 N O3 646.6121966 645.6049 Cer(d42:3)_lp_a 6.81 Cer(d42:2)>Cer(d18:2/24:0)_feature4 C42 H81 N O3 648.6286466 647.6214 Cer(d18:2/24:0)_lp_d 7.17 Cer(d42:2)>Cer(d18:1/24:1)_feature3 C42 H81 N O3 648.6287366 647.6215 Cer(d18:1/24:1)_lp_c 7.06 Cer(d42:1)>Cer(d18:1/24:0)_feature3 C42 H83 N O3 650.6442966 649.637 Cer(d18:1/24:0)_lp_c 7.43 Cer(d42:0)>Cer(d18:0/24:0)_feature1 C42 H85 N O3 652.6594066 651.6521 Cer(d18:0/24:0) 7.55 Cer(d41:2)>Cer(d18:2/23:0)_feature2 C41 H79 N O3 634.6127066 633.6054 Cer(d18:2/23:0)_lp_b 7 Cer(d41:1)>Cer(d18:1/23:0)_feature1 C41 H81 N O3 636.6282966 635.621 Cer(d18:1/23:0) 7.26 Cer(d40:2)>Cer(d18:2/22:0)_feature2 C40 H77 N O3 620.5968066 619.5895 Cer(d18:2/22:0)_lp_b 6.85 Cer(d40:0)>Cer(d18:0/22:0)_feature1 C40 H81 N O3 624.6281966 623.6209 Cer(d18:0/22:0) 7.22 Cer(d34:1)>Cer(d18:1/16:0)_feature1 C34 H67 N O3 538.5184866 537.5112 Cer(d18:1/16:0) 5.32 Cer(d34:0)>Cer(d18:0/16:0)_feature1 C34 H69 N O3 540.5342766 539.527 Cer(d18:0/16:0) 5.67 CE(22:6)_feature1 C49 H76 O2 697.5914566 696.5842 CE(22:6) 9.18 CE(20:5)_M+NH3_feature1 C47 H77 N O2 688.6017066 687.5944 CE(20:5) 9.05 CE(20:4)_feature1 C47 H76 O2 673.5908166 672.5835 CE(20:4)_lp_a 9.39 CE(18:2)_M+NH3_feature1 C45 H79 N O2 666.6174466 665.6102 CE(18:2) 9.56 CE(18:1)_M+NH3_feature1 C45 H81 N O2 668.6336266 667.6264 CE(18:1) 9.75 carnitine_feature1 C7 H15 N O3 162.1121666 161.1049 Carnitine 0.75 Car(8:0)_feature1 C15 H29 N O4 288.2162066 287.2089 CAR(8:0) 0.83 Car(6:0)_feature1 C13 H25 N O4 260.1849666 259.1777 CAR(6:0) 0.79 Car(5:0)_feature1 C12 H23 N O4 246.1694666 245.1622 CAR(5:0) 0.77 Car(4:0-OH)_feature1 C11 H21 N O5 248.1487166 247.1414 CAR(4:0(OH)) 0.72 Car(4:0)_feature1 C11 H21 N O4 232.1538466 231.1466 CAR(4:0) 0.76 Car(3:0)_feature1 C10 H19 N O4 218.1382566 217.131 CAR(3:0) 0.75 Car(24:1)_feature1 C31 H59 N O4 510.4511466 509.4439 CAR(24:1) 2.95 Car(24:0)_feature1 C31 H61 N O4 512.4669466 511.4597 CAR(24:0) 3.52 Car(22:4)_feature1 C29 H49 N O4 476.3726566 475.3654 CAR(22:4) 2.02 Car(21:2)_feature1 C28 H51 N O4 466.3286366 465.3214 CAR(21:2) 2.54 Car(20:4)_feature1 C27 H45 N O4 448.3411766 447.3339 CAR(20:4) 1.73 Car(20:2)_feature1 C27 H49 N O4 452.3726866 451.3654 CAR(20:2)_lp_a 2.09 Car(20:1)_feature1 C27 H51 N O4 454.3881366 453.3809 CAR(20:1) 2.29 Car(2:0)_feature1 C9 H17 N O4 204.1227166 203.1154 CAR(2:0) 0.75 Car(18:3)_feature1 C25 H43 N O4 422.3256866 421.3184 CAR(18:3)_lp_a 1.53 Car(18:2)_feature1 C25 H45 N O4 424.3411366 423.3339 CAR(18:2)_lp_a 1.75 Car(18:1-OH)_feature1 C25 H47 N O5 442.3517966 441.3445 CAR(18:1(OH)) 1.71 Car(18:1)_feature1 C25 H47 N O4 426.3569666 425.3497 CAR(18:1)_lp_a 2.03 Car(18:0-OH)_feature1 C25 H49 N O5 444.3674066 443.3601 CAR(18:0(OH)) 2.04 Car(18:0)_feature1 C25 H49 N O4 428.3727966 427.3655 CAR(18:0) 2.27 Car(17:0)_feature2 C24 H47 N O4 414.3571266 413.3499 CAR(17:0)_lp_b 2.13 Car(16:2)_feature1 C23 H41 N O4 396.3102466 395.303 CAR(16:2)_lp_a 1.38 Car(16:1)_feature1 C23 H43 N O4 398.3256766 397.3184 CAR(16:1)_lp_a 1.64 Car(16:0-OH)_feature1 C23 H45 N O5 416.3362466 415.329 CAR(16:0(OH)) 1.58 Car(16:0)_feature1 C23 H45 N O4 400.3414266 399.3342 CAR(16:0) 1.95 Car(14:2)_feature1 C21 H37 N O4 386.2894666 385.2822 CAR(14:2) 1.04 Car(14:1)_feature1 C21 H39 N O4 370.2947166 369.2874 CAR(14:1) 1.26 Car(14:0)_feature1 C21 H41 N O4 372.3101266 371.3029 CAR(14:0) 1.51 Car(12:1)_feature1 C19 H35 N O4 342.2633966 341.2561 CAR(12:1) 0.98 Car(12:0)_feature2 C19 H37 N O4 344.2788566 343.2716 CAR(12:0)_lp_b 1.1 Car(10:0)_feature1 C17 H33 N O4 316.2476266 315.2404 CAR(10:0) 0.92 arginine_feature1 C6 H14 N4 O2 175.1186266 174.1114 Arginine 0.79 adenosine_feature1 C10 H13 N5 O4 268.1034066 267.0961 Adenosine 0.7 3-(1-pyrazolyl)-alanine_feature1 C6 H9 N3 O2 156.0764466 155.0692 3-(1-pyrazolyl)-alanine 0.82 METABOLITES_END #END