#METABOLOMICS WORKBENCH efahy_20230425_000059 DATATRACK_ID:3956 STUDY_ID:ST002637 ANALYSIS_ID:AN004309 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 Hippocampus 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 BC49E4EF-E2FE-4269-BAF0-461F768BD95D 90217015207 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90217015207.raw SUBJECT_SAMPLE_FACTORS 0BD282C7-7832-4581-9089-08A32D557034 90218015207 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90218015207.raw SUBJECT_SAMPLE_FACTORS 955498F4-70A0-4D50-A2BA-619A8FED8FEF 90222015207 Group:Training | Timepoint:8 weeks of training 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SED_Reference_Hippocampus Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Hippocampus.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Hippocampus02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Hippocampus02.raw SUBJECT_SAMPLE_FACTORS - QC01 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC01.raw SUBJECT_SAMPLE_FACTORS - QC02 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC02.raw SUBJECT_SAMPLE_FACTORS - QC03 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC03.raw SUBJECT_SAMPLE_FACTORS - QC04 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC04.raw SUBJECT_SAMPLE_FACTORS - QC05 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC05.raw SUBJECT_SAMPLE_FACTORS - QC06 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC06.raw SUBJECT_SAMPLE_FACTORS - QC07 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC07.raw SUBJECT_SAMPLE_FACTORS - QC08 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC08.raw SUBJECT_SAMPLE_FACTORS - QC09 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC09.raw SUBJECT_SAMPLE_FACTORS - SampleBlank01 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank01.raw SUBJECT_SAMPLE_FACTORS - SampleBlank02 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank02.raw SUBJECT_SAMPLE_FACTORS - SampleBlank03 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank03.raw SUBJECT_SAMPLE_FACTORS - SampleBlank04 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank04.raw SUBJECT_SAMPLE_FACTORS - SampleBlank05 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank05.raw SUBJECT_SAMPLE_FACTORS - SampleBlank06 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank06.raw #COLLECTION CO:SAMPLE_TYPE Hippocampus #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 ST002637_AN004309_results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes 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3393743.502 2930391.283 2846570.113 3241850.104 3322089.077 3306439.866 3531816.971 3053329.638 2465376.91 3242290.506 3155305.877 2484419.374 2796864.595 3321912.509 2934171.157 2835896.109 4003334.942 3010289.509 3349090.009 2922581.921 2935867.617 2945076.193 4102660.117 2667019.392 3020520.039 2571169.113 3269310.665 3101448.778 2688023.503 2670291.153 3605077.527 2490407.737 3052111.121 2898913.458 3049187.863 2882076.172 2404466.586 2491509.691 2617823.748 3105128.776 2667780.275 2735852.487 2662084.114 2605171.861 2669560.899 2539877.863 2417332.978 2828728.072 2542270.001 2631623.422 2754423.567 317.0095951 344.6528174 337.6255609 332.4211025 387.1453634 395.1696984 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 150515.4756 152996.049 135894.7144 159839.6329 147951.5622 142382.6353 165795.4143 137773.7032 151770.029 141103.2548 150571.4354 161325.4485 121123.8656 147508.2578 147307.4384 147948.6184 212270.6574 156106.7266 157875.2696 140730.8793 214057.6674 151878.8779 143938.0633 141011.6543 149000.6833 138216.7123 131844.4152 233796.3227 147685.9779 166338.5228 137109.2906 138272.8125 148849.5013 233522.9422 144698.6318 142511.6111 146184.0875 151228.4401 130812.5172 133005.8062 142944.9328 143283.9624 134236.8084 139810.3965 140729.5851 149599.4073 146261.7174 137929.4537 139737.6079 149174.8638 176924.8265 110250.9344 157532.6385 135372.5089 145752.781 160319.3953 160791.6493 161577.9359 155763.978 151570.2364 147529.3141 151739.8549 233.6472678 522.6083863 495.8925228 253.5107916 568.1848997 548.9701985 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_feature1 71919416.17 79617172.92 50500462.24 70346863.63 51017746.39 55970308.5 72453332.15 50197794.95 70218242.7 77739636.3 85051601.85 83093180.19 71868590.13 72645364.74 80185358.68 82706434.97 70638994.56 77423079.62 58483836.82 54773620.66 61273043.94 69108133.44 64225615.57 62657415.16 72277617.82 87614065.48 73439325.96 79231291.11 74369381.74 98534838.07 67558056.13 85677839.95 82237024.16 74661426.39 50268980.52 76136019.11 60342205.44 74338657.04 66257758.17 56299196.38 61197698.97 87047362.58 52666868.56 79642631.69 72469231.68 74406065.36 85181023.14 58707582.13 62646573.67 56794822.73 63545356.25 60650780.62 52336577.21 52576332.95 45990904.51 53168009.96 59199140.4 54927248.8 47527980.81 56578882.96 51016109.06 56541108.04 4168.945611 1939.682009 2096.716619 7075.38292 2682.091965 2813.341416 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 2706149.642 2415792.748 1877459.93 2494784.076 1924229.39 1875133.199 3256862.825 1873169.876 2397308.87 2728872.651 2932282.27 2829536.758 2100775.151 2131228.008 2676122.91 2999083.474 2919428.144 2707597.828 2675621.989 1885926.843 3011884.089 2784786.006 1967112.387 2135646.412 2590647.467 2334491.642 2168781.243 3812926.262 2310870.658 3127960.641 2255204.964 2107641.691 2262498.187 3299878.537 1766479.636 2041454.494 1935612.586 2896525.855 1688479.233 2052655.245 1765313.156 2861229.888 1795486.023 2550572.965 2761569.75 2585701.223 2362390.079 1842129.036 1887907.85 2040131.384 2659168.21 1809780.431 2649374.981 1966719.682 2088354.83 2177286.334 2185598.537 2311814.227 2348562.233 2362226.308 2276873.885 2397449.353 507.3434391 2141.264727 2657.845496 710.9709464 1402.052892 1446.602286 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_feature1 620495.3021 669478.1203 587240.7749 690944.4919 611681.2164 607075.8032 592790.2754 500177.695 568606.7235 697423.2281 696323.4807 652439.1873 583794.0802 671832.6138 678491.2341 588781.1944 849506.8516 623213.8287 609953.0956 510206.314 787146.3011 670790.4397 608749.127 683448.5696 658581.9418 600735.2827 727829.8297 908187.7852 674140.9773 633367.231 657959.5823 683427.0563 617012.7606 991195.7754 599956.8003 601808.0033 594228.3011 753531.8412 663503.4797 590567.8725 689559.5453 658591.6329 630774.0529 727844.796 626101.5235 624774.7354 667660.5192 612094.7894 623878.5227 477239.8847 527458.156 422646.0353 516095.0926 548260.6649 531966.0372 519256.588 509390.2064 478959.7754 483939.357 466706.9905 495635.0353 486573.8923 832.3201723 1158.673879 1113.08291 857.0501032 1570.445621 1466.128623 GTInternalStandard_CE(18:1(9z,d7))_feature1 731417.7916 676202.3589 774385.6138 688545.7173 855686.6874 764503.9962 668507.9416 678693.2188 750756.6057 682856.6783 727448.2203 728709.0824 694608.5564 737337.2034 676222.8876 578150.478 1240538.285 630216.6313 667129.1138 773681.3885 1194721.264 841995.4361 832903.7528 705794.5667 681203.1648 663395.443 631251.3536 1371400.777 769868.2548 606164.8515 667228.2403 669741.0618 603904.1309 1448732.177 748439.6806 618489.3047 766704.5277 648321.7162 750425.6785 678507.8771 846550.3267 568442.4024 805100.552 585521.3888 640555.3501 678309.5698 642112.8516 754817.1967 788939.5425 813467.4038 997877.0342 514931.4658 1042824.077 770784.8377 757248.0699 782605.3747 796221.1736 810397.4058 726988.5073 782003.4937 851574.551 815279.4561 1313.258137 1330.278151 1294.760298 1433.715279 1352.003191 1454.047444 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 677116.8733 853515.194 404281.6298 876549.8395 475380.8483 450349.6558 802728.0992 445112.0444 679300.9027 822896.6186 867182.1829 1009174.13 698887.5098 678895.4135 817581.2194 801529.5665 578980.3887 869343.1392 798025.9032 450657.9435 577537.8571 904469.7159 632068.5402 853326.3802 774729.4596 901032.7697 802192.7079 679361.1326 703450.2851 982467.2211 721802.9669 847751.0789 897359.2895 768223.0964 446209.7917 851088.2166 513938.4542 954901.967 680236.2418 650503.4639 550463.0964 927916.7266 505633.0995 840225.0854 713270.8137 709018.7866 789947.4735 506203.0092 463321.7351 502504.729 571149.2315 633608.9051 409641.1283 471837.827 432693.1808 446058.0224 433354.3026 438587.6963 465338.9429 442837.3012 440407.8366 435270.7535 350.0107065 381.803847 370.107777 1113.938456 427.9803134 436.0108328 Ubiquinol Q9_feature1 1714913.079 1920151.748 1936348.476 1806718.265 1909501.699 2122409.829 2528101.485 1817341.817 2666236.631 1963783.876 1608317.231 2326510.137 1547851.583 1837503.881 2069259.308 1537331.285 3676277.062 1361968.04 1969382.29 1867981.531 3835247.475 2689117.019 1531885.248 1967421.746 1680076.197 1846836.992 1774117.736 5268736.786 1597302.738 1663640.914 1655133.218 1451693.888 1547784.964 2662404.493 1186675.02 2023991.224 1442909.367 2439203.574 2306923.282 2151007.573 1900025.268 1691809.899 1363068.263 2438968.241 2106462.395 1717567.929 1540311.816 1427318.61 1653954.702 2508579.44 3257772.382 1338290.461 2286252.678 1477460.927 1513103.086 1499141.755 1339349.253 1301031.282 1320784.626 1302948.533 1333359.33 1239635.434 1478.983764 2842.095688 3133.838159 1550.347675 4042.762582 3927.759017 Ubiquinol Q10 _feature1 1627683.886 2081530.399 1895272.245 1972138.523 1753039.017 1866303.471 2354644.229 1640686.286 2482345.687 1923878.613 1600614.101 2431259.606 1508339.152 1664532.233 2392853.961 1458202.563 3343185.527 1377454.32 2049546.124 1601367.031 3677516.47 2756043.231 1445444.502 2051564.832 1724938.287 1817935.711 1920909.324 5098477.521 1395100.907 1722999.937 1549772.904 1436006.034 1433735.818 2625624.759 1023371.606 1908894.006 1448908.745 2367517.331 2014096.827 1910644.828 1694080.211 1494017.017 1184968.645 3000316.492 1999844.629 1540606.907 1643963.626 1472976.568 1593307.485 2494713.024 2946060.714 1138642.934 1735870.175 1395426.597 1458025.685 1333789.088 1336901.575 1224882.663 1233508.232 1287068.73 1293427.88 1263096.545 1328.973924 6819.770983 4599.725302 1320.852846 4339.50117 4392.897753 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature5 243725.9955 284660.4075 144742.5931 332271.6444 157113.1691 152301.4594 209379.3735 181632.4862 354921.4693 258779.2452 376599.0293 370531.8215 222102.7437 282629.0724 297733.5645 261935.6029 429067.4665 295032.1476 420966.1248 225829.0615 457039.6794 257227.2695 237267.0517 469597.9409 328097.0994 359247.7193 360611.6014 333114.8662 216771.9481 377649.4777 326560.0383 310163.8995 196279.1588 384803.8286 164747.0629 446823.7701 260594.0725 451396.8471 272409.9471 271247.8103 286391.8087 291182.7183 242600.1896 556553.8555 429451.8805 313400.2611 228736.2995 243970.5097 318361.6414 309905.9479 348412.9903 261090.7874 267447.8379 175635.422 160835.2218 155856.7779 145345.7194 142368.6939 145938.81 144750.9284 144255.1571 142153.1175 475.6967493 819.4857244 937.3059744 540.0972004 883.3494566 921.2888988 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature4 31228.56741 27584.60981 22434.35385 40539.27874 25109.62791 19312.85564 60666.37127 24732.33488 24679.79712 28889.1903 32924.52864 22599.63792 25645.96127 31770.60824 39107.89724 28443.5633 53384.91147 24329.40926 43025.00277 27722.4194 55634.59027 65154.50634 28389.389 23706.27352 21316.84482 26459.24747 33067.4853 96877.40286 11761.59434 52608.90058 30585.59044 39290.44798 45019.79858 48832.19823 23381.1781 59466.06537 32728.26119 64334.54329 32820.2055 36606.52395 42497.50068 33461.98731 31148.6348 47604.77232 43466.22452 39693.80456 28054.15206 32277.12899 42051.76107 45818.72955 51140.36558 32719.16344 30325.99145 32384.79484 32405.13503 33319.71375 28365.58543 28494.68808 31039.69053 30714.91989 33038.05014 34403.08638 341.9873191 418.4657403 518.1449901 393.457313 873.9592687 562.1468397 TG(58:8)>TG(18:0_20:4_20:4)_and_TG(18:0_18:2_22:6)_M+NH3_feature5 90481.91932 66471.28832 53018.33979 74547.80652 64328.7582 57360.70292 114241.3504 67622.13285 96445.84302 68879.17929 72356.76298 92989.70585 57568.13092 81766.56958 67822.57022 51454.25692 147107.377 80002.92861 97084.48655 71415.96132 139579.7339 101682.8753 64047.89864 96945.86501 88730.67978 85355.58557 89212.26049 177554.4833 58922.92616 77742.7465 74800.22305 69336.27305 80419.89374 113713.7312 63008.68076 111840.312 83101.79849 119319.2483 88462.38044 90732.94818 97186.69382 67851.40614 78056.84688 99527.76362 109843.8869 81021.95692 110838.7963 74269.11846 94933.87581 100470.7844 131096.0421 63976.14544 95816.92116 58106.46308 56737.84298 49128.56442 48711.85789 49021.66257 47666.61629 45381.57654 53206.04354 50766.18788 597.9368139 33109.42741 22108.88285 675.6536349 16805.29306 29359.43227 TG(58:8)>TG(18:0_20:4_20:4)_and_TG(18:0_18:2_22:6)_M+NH3_feature6 177012.7535 58081.80855 43497.22721 80668.0767 52069.42911 40482.16604 130488.1989 39238.28984 57661.8383 51974.11576 91061.06972 67029.51514 33974.00132 77914.45087 58926.27693 39731.3762 86515.74218 78112.80412 52006.95881 54470.50237 77019.32179 97470.89227 23627.64227 105309.5295 62813.2509 67586.20761 59980.85408 149086.0844 34478.54603 87408.8544 89413.02941 65552.55643 58089.80866 78603.4703 32041.48569 80811.62922 40452.60956 130762.5351 54747.56638 90325.20305 56436.50592 40706.64791 26159.7784 134110.9829 151493.7493 47420.4498 82629.92052 76657.21128 66539.37404 88450.01785 106105.8864 62783.56548 68662.2982 55120.91374 54128.93539 54663.52479 45001.93821 51441.20774 50112.55668 57401.59024 49162.40123 48125.59104 313.2090418 3856.711702 5066.010018 324.6328909 5003.967896 6704.2647 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 75045.87525 64853.65956 29718.29042 108386.8518 46717.96023 31116.36923 156757.0459 39532.05671 69938.40738 68114.4261 77097.55586 124750.3767 64450.8511 69998.96328 81721.88467 74823.59607 95431.04968 100143.8246 111616.2701 52848.89496 101087.8078 133969.9786 53265.40433 112925.3247 99828.93186 97295.66975 93571.62841 177736.2118 57082.20832 109574.7082 86836.06556 85268.94554 104965.3383 91868.76594 43748.0262 126171.5644 64192.83765 147117.9307 77976.82438 69343.07727 68209.25423 92850.71088 53394.82418 185008.6287 102929.0005 87917.38234 129563.4701 57672.93392 75775.60043 47188.49644 75619.94869 73706.59194 63254.94884 46230.3077 46287.90757 43870.41238 43394.33547 48004.2209 46851.11121 46285.55449 43514.05252 44589.95929 344.6649762 10657.39377 11330.05339 360.2803581 12059.92184 10450.4384 TG(58:6)>TG(18:0_18:0_22:6)_M+NH3_feature7 75518.54829 60118.94662 24814.941 90223.93492 37997.00902 28680.36771 140024.7628 32610.43321 69670.9666 65186.75157 71498.46104 97002.57182 44423.11632 60647.11995 69864.33037 62089.92232 71200.40695 79900.18426 88834.17122 47980.55156 63822.71667 114175.9811 46773.88644 106000.9023 84001.01198 67906.78033 79615.81858 120748.2422 56578.91701 88352.10023 71291.25347 75620.73389 86106.87562 72808.15662 40250.70307 111724.7806 55203.33137 136943.582 71327.32827 59473.48708 69247.25807 89507.00045 44285.15289 187489.184 86755.40057 97968.62276 86298.21615 54699.4146 69508.50725 55822.20981 67097.35891 55408.21539 42830.03347 26569.29529 25242.55235 21567.63946 22604.34671 20228.57834 21293.69961 22931.34027 20952.76435 21712.48582 494.2487558 2513.054055 2454.323838 481.4017315 2598.143989 2072.653592 TG(58:10)_M+NH3_feature3 290921.0061 263658.1207 137152.3606 283685.9771 142065.5698 137662.314 378746.0342 166963.3449 366271.0459 246140.1453 282490.2581 391959.2248 178910.2819 280223.7911 284862.414 178781.7202 459411.7323 280746.6695 432803.133 203201.419 535595.6662 468517.6296 222800.4284 367284.5699 270144.8334 323086.964 299896.1278 856771.7137 176569.3845 360482.1454 320996.4276 307333.998 321212.8266 427054.5054 114378.0248 397925.218 214497.1801 426877.2075 225117.1411 254334.1965 253889.2831 231241.0556 231039.1967 538282.833 399992.2992 259308.3271 370805.9977 223515.3605 290020.0144 400255.5518 522386.4563 265488.6041 334938.8492 180391.2062 173100.7497 180246.1583 171273.3544 155591.922 159695.3101 161888.9805 142946.1467 156548.7603 297.7837247 29889.15067 28931.48525 320.0609863 34783.90404 22902.44763 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 33809.16611 37387.56061 30954.07522 56138.33473 33076.53125 34476.26339 80630.61388 41416.45085 44344.73268 45783.4982 42909.59053 43227.25753 52967.45179 45854.50219 43557.59114 41410.59832 49921.6964 44363.46274 59568.10276 63098.90628 35050.09958 54762.87058 27179.44423 54013.76783 47033.04886 42871.36893 45159.95344 46597.2387 29650.01592 67235.88115 42924.59861 42868.21431 56740.12335 45833.8724 24455.94427 76282.07687 43159.11778 56200.58563 46086.23527 51970.6048 39324.47675 51643.22048 25859.00649 91384.09384 60553.75776 65670.73947 43661.6161 38868.84138 41989.31998 62227.86853 61127.29155 59205.40089 47642.59626 35262.6443 40601.24877 44533.24669 36560.42205 38647.60545 39042.92232 41726.81104 43364.27169 43009.86034 267.5588026 13089.5798 12924.47156 281.0288369 13204.29321 13718.24933 TG(57:1)>TG(16:0_18:1_23:0)_and_TG(18:0_18:1_21:0)_M+NH3_feature1 13678.48427 16001.44298 11430.25938 24651.54351 14938.15283 16252.66013 38065.8622 16943.29631 17898.81769 21728.12344 20531.51991 19633.97941 20956.68844 18791.50794 18204.15036 20015.61384 20382.70866 20627.47676 26626.37759 24066.80327 13793.81005 24765.04894 9648.494769 23131.2637 21065.78696 14890.45571 18974.4571 21646.58049 13042.04708 30682.73577 14764.77077 18435.64586 24012.53788 19723.88525 11042.03555 28463.36665 16629.77512 25052.76133 17371.27478 19474.93323 14855.80244 20573.41237 11513.70212 37625.15182 21221.77297 27836.33605 19293.75824 13605.98721 16660.75219 23027.79096 25229.74715 21451.07079 19981.29175 14953.47411 16744.74781 16626.79497 18678.01697 15488.91114 16933.27184 17056.2741 18016.92659 15563.40758 250.9601784 2754.515108 3680.104339 249.6732652 3765.16615 3166.931833 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature4 222452.4765 98030.38362 60622.47993 125274.4046 68453.23839 58467.13292 205547.7374 74276.95742 117762.5445 93977.47126 106210.7349 109979.9641 64925.76717 116796.1848 98023.97693 70547.21329 172261.3045 135231.9905 126391.9702 95789.72205 194019.5534 210513.4667 74247.9862 164321.4753 116678.7911 120552.6205 103152.0382 307761.4444 59275.285 138237.6332 119696.825 107632.4118 111099.9662 167788.435 63016.24938 141052.1462 75009.37325 213080.4433 93815.76333 122189.0811 105585.8072 71685.72312 63248.84888 198169.3713 193017.3547 80818.01894 144391.6146 101841.8586 112613.4038 167947.1819 207196.7397 114066.1517 122520.0615 76062.11563 80988.02391 85249.06755 79663.87069 80491.8145 73985.65061 81888.42299 76483.04684 79184.86951 408.2723893 32342.59072 29023.09729 377.1503877 31581.84452 29293.64618 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 679622.6608 884485.0849 433035.6483 973690.4766 509462.2975 483248.2141 1313267.823 513876.9055 1111474.579 852137.3384 1006329.11 1533819.373 762335.9472 926826.3459 896415.5575 848559.9587 1301171.178 1120257.369 1463675.526 677707.7419 1291304.565 1645693.892 748747.756 1459778.447 1002258.935 1156007.184 1275158.534 1672343.272 741067.3088 1189489.887 999884.9809 973615.2131 1185277.423 951194.1168 508795.8292 1613443.822 865088.7714 1543781.684 861200.5182 871824.419 899631.6717 1062711.446 765955.4219 2022823.053 1503294.763 977201.3514 1359576.71 722532.1697 968149.787 831719.603 928087.9717 767696.0637 706545.1214 507777.1806 477583.3488 442703.6041 433165.0663 420003.9501 399906.5009 412759.1375 420712.4789 415858.8803 494.5732641 78787.77712 71933.59417 468.5923113 66448.85378 62940.96328 TG(56:6)>TG(18:0_16:0_22:6)_M+NH3_feature5 248250.8515 378596.5502 136891.2851 540644.7051 194055.2984 154137.7676 689870.2327 170575.7088 396033.5114 367413.8266 415858.1939 593763.6539 296381.2535 366051.74 415210.4833 351334.4963 407312.663 497122.7883 557355.836 229193.7877 423415.0417 700066.2285 249340.0684 542794.3068 451113.4258 440285.9606 552756.8124 884244.4406 295466.4257 554138.2275 434878.1795 430495.5726 541251.3559 422389.04 163441.2723 678656.3341 298060.1967 793373.6906 365066.0113 342027.3564 357433.5111 418565.1752 273209.6501 1077466.942 484994.4808 555995.8861 535653.8112 280550.4665 323452.9459 280911.5743 284884.4384 288033.8666 214640.1365 215459.9884 205513.0061 195469.7126 191013.8367 190606.275 193157.3675 197480.3765 190161.0049 193488.925 265.975061 25204.55493 55774.1728 278.9843445 51353.92513 21108.97056 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 208520.1624 218562.2661 120063.5118 353927.0413 153769.4259 142984.6283 433158.0742 165762.2847 240141.2755 208256.551 281596.0353 366214.0904 184392.9418 265828.0688 256999.6679 246453.0666 317727.4972 320312.6046 362529.5502 210615.3355 305333.6268 459981.5682 179677.292 406153.2051 350262.6008 296342.1837 280180.7353 741168.0687 153439.2379 388913.1644 414147.5187 306822.2014 357304.4538 381051.3303 154169.431 459054.1273 207821.6451 528254.3002 255461.1418 252825.1857 270984.6033 289603.8532 143131.4236 728734.979 375773.518 351418.8608 468293.7405 227003.9299 255906.2926 255341.5963 349555.0272 216648.5813 182182.1241 152881.3663 196982.9431 140827.8648 130905.2332 148258.6739 128349.6527 149497.1724 136664.6512 149601.0092 319.5600175 84519.44696 58067.20308 326.3819019 92948.76422 82889.40072 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature4 45735.789 94571.82778 37541.73569 137688.8362 91457.37025 30371.36053 159325.1014 45839.1687 105615.5656 68014.52489 77595.79029 100809.379 68863.88383 82337.47092 95214.2704 72056.38717 69586.20841 34638.1853 89832.06364 62177.62487 60681.49352 199680.2158 62365.8447 200559.7712 126830.4311 117391.6644 133203.7315 175581.078 74846.95169 120017.0548 69162.051 148247.767 107275.2077 89875.63156 63017.10147 210632.9452 65801.05446 195477.9295 117321.2737 103878.0319 82987.44078 119296.4772 37674.65863 221727.0721 109647.4159 185599.6102 98190.37712 90551.23767 73624.68896 49897.04339 61849.54743 57694.10467 49884.4928 31400.45381 29625.99244 27274.02524 28519.14104 24498.58297 23025.4502 30376.51434 25001.50649 27051.39209 206.1233811 22024.82456 14204.41727 200.7656092 5921.265998 13079.08049 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature5 279697.379 440632.7797 271763.1667 558542.6995 230798.7062 232762.6819 638883.5679 216014.9343 542357.7877 490831.145 632573.0278 686102.795 337473.5636 404866.8112 508856.2462 404778.1671 494749.1569 538296.2067 638322.4205 350551.8257 583389.3911 747019.4462 258136.4504 731456.5704 714812.259 438921.176 571607.0328 931819.86 352524.9237 767721.8573 506559.5871 464959.4434 693424.0821 634512.6495 223230.601 800366.4051 343025.5484 835738.1495 412979.4268 415063.8213 425056.1886 593252.7023 338957.3969 1111883.71 558096.0077 634415.8946 636354.4113 326275.0363 472300.4555 396196.1669 446209.632 427644.9088 286051.2323 155066.4034 150990.0148 138162.0566 144926.2447 128023.5746 136507.5292 136638.9311 130347.0615 144915.2116 280.4532991 9705.703034 8620.412197 269.4545167 8552.598022 8137.365256 TG(54:6)>TG(16:0_16:0_22:6)_M+NH3_feature6 496808.0282 788539.2058 380789.2565 1052699.339 454187.2521 443829.5095 1313700.818 418342.751 1131710.139 914282.1977 1046994.996 1423993.748 671904.5669 826192.3463 931539.1867 849347.7265 1031308.64 1080207.829 1420626.755 563485.9401 1108072.798 1619816.925 682376.8593 1301297.142 1024948.163 1131303.195 1277262.534 1621295.996 717146.6275 1264893.916 956916.5993 973666.4223 1263437.138 947428.6945 428078.8345 1615888.602 780433.9346 1619989.992 794418.2733 840659.9139 956505.2265 960851.8564 718023.5351 2444078.402 1352569.927 1136765.542 1273497.096 678121.9984 822044.7155 628404.9256 674875.4394 728468.731 525757.4344 462299.3742 444646.6024 418123.7736 388583.9841 393734.7133 369871.658 387371.5672 400560.9787 402064.71 345.4608397 45687.78812 49388.15024 353.4153932 42981.18348 41616.47933 TG(54:4)_M+NH3_feature6 319699.0727 520858.5757 249109.6696 819274.6499 321531.9443 250062.5408 849974.8659 247423.5625 639837.1833 563665.1088 723536.1269 799228.5298 445915.8964 497942.5807 623718.1873 460314.438 562479.101 577071.7899 772975.2929 408399.4237 702993.2114 1038795.202 361361.2754 1030686.898 768452.213 624901.5234 812382.3134 1406875.413 404194.5112 889221.4999 624973.6765 651903.3076 814530.177 714365.4107 278765.4596 1115601.646 476726.2754 1305278.018 558479.644 529516.1259 605803.6386 665264.5233 366675.6343 1571873.016 698534.4267 799860.3906 895525.1862 433119.0439 527774.1045 469546.8555 567100.6881 478513.8921 336777.9667 283625.8143 277524.2994 265280.353 263666.5117 254648.5202 263290.486 269735.927 247721.8241 269354.6473 296.4755323 30419.69846 30788.98534 302.804615 38604.22424 28781.27468 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature8 30951.21523 32399.27069 10895.97532 35516.59746 15953.7301 8518.51117 60075.46045 12740.01488 35619.43568 24107.55994 50243.30476 48346.25054 21298.5363 23150.97873 39371.91315 25660.87324 27753.3115 31039.93359 31955.683 13856.13502 34497.06638 61296.69059 19705.43498 52752.49304 37943.144 34299.28105 49542.77701 37932.94044 22728.77287 48903.75118 28125.04484 30392.20796 20601.79243 17200.28194 10726.65031 65307.28543 23940.64831 70149.7299 30880.18162 28017.95434 39663.12235 18206.80125 19625.29334 121210.6 21191.77082 25338.82711 43991.40619 19423.74477 27805.50289 11357.39081 11599.43775 13168.24873 11294.91087 15599.6367 11869.08859 13206.28091 11516.68476 11448.50515 9898.971669 12157.89959 12601.57625 11529.80287 147.3755388 370.9808847 500.8975194 144.8282221 493.3857 1505.42392 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 209554.0292 309550.4872 128440.1195 439256.6351 167196.751 148045.2016 516946.0735 142592.2108 365851.2201 326200.6467 341862.873 432315.6348 215447.213 254917.8346 323896.2429 259106.1656 309177.3424 362643.0955 407800.7729 222673.7428 437539.2184 591719.6785 204827.7769 515756.6544 372884.7454 389274.8156 392291.4557 611003.1696 217406.1769 533053.5662 354126.3547 375074.4746 498487.2131 416980.9208 142165.8612 627919.8653 244036.0931 655075.1366 295498.0829 299243.3713 279704.8437 345246.1343 195360.1062 831979.7055 412637.4712 400787.8353 454870.442 234021.0006 283252.5861 261344.7303 296469.3393 283886.0459 205287.5347 175627.3763 172621.6836 159254.6057 151379.2511 156335.6712 151826.8278 153854.6585 150258.2745 155536.586 296.0128847 48709.82906 41914.30338 314.3375136 43126.01316 43364.79125 Sulfatide(d42:2)>Sulfatide(d18:1/24:1)_feature1 1272100.231 1493572.993 948458.7346 1380532.047 785458.0791 1296591.073 1700796.126 1529671.573 1339279.91 1276224.93 1325223.007 936040.326 1232464.823 1126940.051 1409417.981 1133669.067 1080098.981 1284546.81 1534718.543 1159247.385 977070.5101 1305596.761 745204.9158 1094015.644 1219070.357 1096959.565 1121779.349 1395335.782 1362891.06 1272222.658 1269501.692 943551.9752 1524000.882 1020327.374 802379.1365 1198939.493 710059.3563 1135374.92 1082522.172 1013021.975 717056.9814 1470412.479 654844.6614 1064700.479 1431473.001 1118287.821 938712.2955 583627.5003 673531.5966 1902728.794 1831146.955 2007940.345 1210112.963 1006365.681 1051590.515 1104766.173 1083964.538 1033460.679 1059064.593 1061808.717 1081950.821 1100214.702 417.7842367 478.6234715 506.5380675 460.1876786 562.4745805 608.9745877 sn-glycero-3-phosphocholine_feature1 24769739.28 33940372.16 17606940.05 26045873.38 16316885.03 22767216.78 39790798.67 23043579.66 32621582.17 26627425.6 31376175.7 31288885.21 26892387.26 24436413.09 31176966.57 28151890.69 22190676.63 32960503.68 30653648.95 22225467.66 24708014.98 39283129.05 17761499.75 31565816.54 30307752.69 30630557.34 25956181.39 25016372.24 27475627.06 34842652.58 22292583.06 29269246.48 43238351.49 17218228.1 13973661.46 33168030.44 19609734.34 33959460.57 23388894.22 24858504.49 18410556.38 32322288.62 17022475.32 36755617.93 42759594.08 35612115.87 27558784.06 15156187.39 16704049.41 17414702.22 13990091.74 21557432.1 11475845.62 20330468.98 18896712.41 18146126.77 17616137.79 18199770.92 16776897.26 18777250.9 18869913.59 23173840.53 8781.208432 11810.55709 12193.59053 20819.20556 12139.09085 12926.35092 SM(d44:3)_feature1 93954.37366 127421.8916 76241.03643 143419.3663 81604.43073 104864.3169 186343.9905 122526.6615 136968.3574 162958.2411 127840.5684 93807.07197 123467.5013 112704.9205 133431.5803 98268.1392 138172.5107 125602.8534 158329.9433 129842.8733 104686.5473 151896.6734 58313.11321 138748.0968 86254.59188 149571.0692 114568.7404 105404.8009 117174.9822 180414.4039 85742.44674 122767.067 159142.1335 122764.9161 67942.56073 158851.8373 92995.89162 170209.5466 113676.0029 133762.9089 80477.42156 135302.733 88390.81663 133934.9357 162031.1609 142512.3164 101836.3499 77745.73973 94273.18314 138589.1767 99788.36072 119802.0074 113397.9845 88833.01046 92788.37681 82206.78812 79661.45406 82910.80679 95855.58552 83107.89058 83082.59966 87305.90471 296.5916726 466.1374494 818.6570025 286.6054372 553.4786351 506.3583021 SM(d44:1)_feature1 143154.5228 224146.0992 82912.1949 177800.9733 95593.23715 124217.8491 439794.5995 174548.0157 230111.6101 294083.9854 224267.1861 304364.9388 217490.1663 138595.2314 190401.3077 151064.5806 165352.6856 162034.2743 227737.0964 139958.552 143098.2135 221700.0029 111229.1146 184360.809 130908.7101 268808.6132 158940.8488 173516.405 159703.1322 267923.7881 212166.2424 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4288610.186 3653471.058 3320412.705 3514453.629 4362936.97 3051189.762 5234435.039 4334204.636 3432425.262 3430549.658 3852936.384 3585092.542 3648185.206 3465697.54 3500140.397 3504674.818 3566795.769 475.3319585 67838.91259 71872.11127 797.4426186 73385.46211 74442.32223 SM(d43:1)_feature2 554985.4407 828461.7217 330640.2707 890757.5354 363023.0097 526103.7076 1523492.596 628121.5274 891322.6967 991719.7926 832226.6978 1100909.518 730197.6047 741448.835 925868.3148 791807.78 928161.2345 888129.1393 1235537.227 764254.9947 762244.2562 1169858.553 386242.7716 852928.9297 601533.3048 866499.2518 708459.7395 699110.4455 540707.1951 1229350.282 663331.0136 591365.9969 983786.3567 672726.0655 187031.192 964807.7564 296009.0268 881425.0211 565640.0518 681023.2742 374966.8885 846257.5126 347776.8636 1613676.517 1240968.121 804561.6661 744743.1024 318158.8947 300278.129 862809.3735 752277.7308 1044004.736 535394.7317 389603.9058 363303.6812 506123.3637 382317.0207 242643.3977 263227.2235 362526.601 260801.8396 349585.0124 863.7009778 2112.833672 2063.598063 905.3762694 2360.903534 2293.743438 SM(d42:3)_feature1 1899984.363 1917681.765 1632875.562 1663612.911 1477026.448 1977973.222 2409888.429 2285985.583 2500026.602 2749454.189 2455140.148 2341878.624 2139285.361 1840485.047 2110620.43 2276428.128 2573397.992 2287835.08 2755150.297 2407807.21 2714246.553 2946206.231 1428064.869 2464342.429 2026702.877 2451435.637 2267919.409 3067499.826 2131860.127 3061950.292 2261378.024 1951825.456 2073650.46 2456526.704 1233117.61 2673041.426 1443888.209 3658576.14 2016816.985 2428099.281 1141536.516 2275072.404 1364927.955 2259817.202 2566395.311 2595232.366 2594688.807 1419335.503 1534178.551 2624220.059 2874662.004 2238393.152 2028264.466 1801181.32 1791159.093 1777528.18 1762634.181 1701754.141 1822055.85 1810307.708 1840861.28 1898233.458 282.2025304 297.9896758 313.581993 294.4738036 944.7027469 325.0856065 SM(d42:3)_feature2 14103.8791 18927.39974 15478.25217 18838.21029 14788.87458 22015.17603 28286.36896 16934.33416 24491.95762 24617.49046 12279.30951 22396.60629 18906.13374 22557.51192 21977.24222 13177.80698 22991.6166 20615.79262 32394.19398 25780.08374 25602.50295 24806.09952 14137.73608 24671.62421 22242.23421 26630.34549 14664.45697 32889.65114 11810.69892 32470.74255 22193.33226 27007.90576 28071.32664 23214.35185 7713.846381 28241.0166 13952.79147 22408.21523 20378.02228 25536.80092 11001.60805 15150.31932 14119.75918 21941.62568 21766.1325 26642.25718 24611.78009 17786.74969 15747.84655 30078.86751 35500.57356 18547.2855 26793.19786 16508.35335 18356.64449 19014.58654 15616.41907 17788.50763 18246.58253 14182.43867 15006.71835 17345.64655 181.6067218 254.441317 241.5822081 185.0631897 344.8651593 286.9121454 SM(d42:2)_feature1 48411009.12 57790202.42 36304415.75 60870950.1 31557942.12 48551345.98 79851217.6 55130136.69 57833462.85 62451540.7 60907288.39 58439046.43 60032599.47 52423567.7 56765232.27 39691469.07 51578662.71 60420023.11 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1341176.998 1872404.465 937624.8693 1107910.871 1575273.927 2019976.833 1382417.912 1256985.275 1019762.003 916827.7951 941972.7394 927487.0669 938913.6814 911695.4347 927438.7597 1024627.979 1032041.916 417.0446747 418.7502088 407.2673513 411.235196 416.3049405 426.5894434 PE(O-42:6)>PE(O-18:2/24:4)_feature1 601213.4394 972413.581 749768.3012 727631.57 654050.1385 1228297.39 1211200.958 1514145.382 982538.8811 821789.9915 746497.5842 754136.3091 970716.6116 900248.91 875577.8593 698233.2932 1345736.611 743421.2797 1216767.546 1012124.338 1344746.782 1216123.645 641548.9866 869794.2004 894112.4272 876028.545 805588.1408 1941240.571 614493.8264 1083283.534 747084.2784 702162.1749 1191906.718 1224914.148 447500.8037 1069189.869 598725.8371 861654.5652 729948.8036 1199552.948 680169.7314 714975.0315 766495.1406 661096.6908 1084378.695 1243726.239 1172158.797 722297.5872 785580.6431 1094625.13 1351497.919 795586.4826 1740178.768 904956.5097 997566.5627 934318.088 823198.8434 775704.4422 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8405112.631 5886670.932 9437376.853 11388939.9 5596828.952 9218446.845 11385395.93 8293261.147 11065846.34 8821683.555 10918153 9006530.168 10897469.02 7602456.75 11288694.56 10318324.59 9924251.241 10747073.63 8866912.186 3336982.576 11296023.2 7265274.079 13362274.65 7804575.053 8303588.863 7912140.54 9843529.232 4996700.939 15463919.49 11226299.29 9786923.501 11970199.14 4692361.778 7088233.677 8958731.412 8826662.548 8386874.187 5448662.634 6620826.962 6054197.088 6074775.777 6354148.906 6665504.278 6039494.914 5927016.943 6396427.427 5034868.758 208.9177126 415.3779745 540.1884577 756.9673872 227.964809 262.7835995 PC(30:0)_feature1 12356253.7 17830678 8897150.026 19135389.82 9069313.32 10510598.41 25152035.31 10086779.27 20431025.92 19235904.49 20130815.59 23343904.31 15916694.01 18692171.27 20045774.71 16316822.57 15861895.69 18347666.53 24933483.16 13871638.24 17815479.76 25386801.54 14131457.98 22281059.19 16313166.74 24137464.44 20164710.03 25015921.44 15192500.46 25160331.31 18523480.62 19473803.02 23582659.95 15548422.02 7063662.094 23521736.48 12249489.63 26148133.61 15070701.88 18770812.15 13809220.97 19229452.58 12960252.88 33893288.28 22895419.52 19722330.24 23745246.12 12361653.42 14231336.2 16317856.79 17960883.64 17934394.63 10236660.42 12135262.37 11100193.5 11224397.55 11483754.6 11134606.96 11554271.29 11438507.77 11609438.6 11870438.58 1865.549041 774.8573155 1126.060915 3289.244539 1745.984743 1863.739367 PC(28:0)_feature1 61676.966 86712.07826 49322.28671 96314.10965 43347.12765 57433.01189 155516.9002 59534.90486 102765.1309 93543.70851 101917.5313 122781.7935 92705.68384 83716.42272 109699.1037 89341.40518 97754.70612 103807.4634 155502.4942 74249.62621 100044.9685 162343.6464 53427.96396 120909.014 80101.80788 138835.9384 112713.9391 180387.0896 79998.03875 165457.5201 94510.96154 93455.55386 148801.865 82141.28733 38289.40965 139898.5129 55664.51978 142111.9875 76671.25138 96477.80093 57179.19192 108979.1503 54719.66399 195644.6796 136836.239 117469.9851 141612.1341 56935.39469 74869.52283 78868.77483 92921.97663 79279.62428 52649.72207 61376.13149 54593.94103 56430.42839 51256.18224 54991.55132 57552.70575 58224.51097 58892.74477 54502.46042 367.5522034 353.1166758 358.9134147 389.2685026 386.074731 393.6611652 PA(38:4)>PA(18:0_20:4)_M+NH3_feature1 800570.738 1002211.273 730775.4992 1040043.972 566694.9577 727335.709 1246660.124 1030509.645 312037.9922 1042703.483 537100.4823 726057.6964 671730.6695 768042.689 828693.6384 809125.8308 924201.0564 965524.7356 1117339.713 945230.9448 930574.1633 1157993.613 243758.0262 533291.9422 847524.7411 1027655.735 900187.5522 1091344.057 542425.9504 1284102.928 985845.1367 607742.1844 1161501.039 750495.3647 568470.7091 1050700.686 404715.1642 725723.5138 582326.7856 631162.4537 672819.7684 846262.2122 579296.0188 944229.3103 1097150.69 801007.9098 923936.7421 465754.5524 624248.2716 1788340.115 1613792.106 1381621.022 858270.9529 798703.6242 725131.6523 549813.7566 591160.1267 758896.9177 808171.1134 688471.3491 650388.7445 660817.9122 741.5443841 715.5114881 767.3989716 785.8343815 961.5333886 949.5804291 PA(34:1)_feature2 764179.8877 966730.248 640767.023 801903.5937 352827.6564 435504.306 1056197.377 753544.6557 831389.2198 579567.8561 534455.3038 648840.8211 460299.2917 409529.5117 926312.495 574800.5849 457985.3307 563189.9528 690821.5767 662011.2566 613830.4119 828945.4336 351435.6349 436486.2626 502408.8672 696490.3489 732580.9153 830107.8321 683354.4146 573722.5474 518559.0442 428439.9327 875867.109 531644.3112 333414.6216 534602.1195 290979.6664 559122.227 466633.6288 452097.0232 421540.8819 469041.6182 431836.9648 640930.9764 764128.4186 442156.2631 413447.0857 364419.6592 387810.7011 1348498.355 1229216.71 992640.0075 566876.3009 454437.7114 470124.0371 651745.2629 428893.4204 618571.7062 583202.396 445312.0524 431159.2675 588690.4142 403.8875631 418.8032139 401.3686615 423.3446015 429.4254347 461.2358761 octadecanamine_feature1 36607.82117 56269.74363 22879.84704 54562.40035 27795.68056 40385.26777 55330.53217 30623.12014 42544.70718 58215.815 52975.87975 56695.64062 40804.02255 48906.97244 40177.88926 47300.27648 43579.05222 49591.58513 33235.66871 35945.64908 45337.99522 48648.15966 38124.58677 49746.44162 41788.06223 52825.37138 38389.67585 45574.32234 40960.65526 51291.62904 28416.72465 42646.68538 38414.68732 58967.14257 25086.69967 47735.19625 37973.10852 54969.39779 35396.43119 41970.78461 48300.56317 51366.73107 42756.43497 77897.46691 58507.74476 39580.3862 41394.36316 35632.25738 34061.80982 22468.8189 28736.39073 23423.61995 17929.20979 34248.81754 36354.01864 37927.70744 31401.48562 39350.64827 34551.45896 30047.80297 39826.09699 31954.22351 164.2804748 205.3090944 234.2261884 157.4522444 257.3972048 248.1434079 LPE(O-18:2)_feature1 305443.6354 317713.855 342867.9981 316989.7522 293253.3232 390638.4824 572300.5454 557023.929 406071.1626 350472.3803 254756.287 291378.7 349729.346 311830.5118 325584.9479 293204.1685 499052.3408 332098.8382 490053.2552 514364.5899 504412.3142 461353.3595 233863.5387 315951.817 350988.5708 376728.0203 270897.3876 732881.1477 282605.089 443366.9406 295558.589 284414.0202 523986.8768 433495.3294 238168.2691 436996.2544 310828.9292 362228.0319 378280.1435 409510.3542 208210.1702 293069.9485 228118.3558 290994.998 411210.0379 396664.4804 365041.0976 236555.4758 266695.105 740871.5665 891358.9179 515775.2101 818108.1635 395474.1941 407062.2704 397049.3902 397138.2012 412009.6342 421479.5877 395537.0715 415459.7771 407197.978 357.4762118 471.9806572 493.4732532 369.3913283 575.907067 607.3460095 LPE(18:1)>LPE(0:0/18:1)feature1 167463.5367 131617.6558 100950.5055 129566.6664 94049.24547 121991.2495 189057.0643 141592.5215 130753.7815 116235.7295 105270.3061 87396.34494 76706.94099 94231.94163 112321.7865 128756.8971 178114.1474 109870.7129 112657.5073 91861.5895 171100.4009 172702.0106 58970.03913 89872.45997 81750.66312 137884.6519 103822.3566 254368.2165 66572.52753 146001.1666 75662.31647 100618.0393 155754.645 135170.0344 46119.04717 144718.2436 70465.30083 130099.5017 83230.79028 114927.3111 62785.08107 98223.15373 78672.14888 114490.5914 148167.2057 104371.0205 96688.8252 65252.60907 76493.4658 266849.8422 254202.9868 170441.8192 229734.2 127667.583 138279.3146 132229.5085 154116.7582 142417.7961 153499.3959 159230.8997 182316.0525 192888.0289 919.4165413 752.3073619 783.1076379 1333.475651 761.6355726 771.6362207 LPE(18:1)>LPE(18:1/0:0)feature2 47111.98206 72686.72448 61328.50613 81084.42421 58833.53958 62925.7937 129488.5736 71814.17056 84090.00812 70082.47172 70998.54669 74677.75077 65366.32508 84944.13701 69656.22922 43504.69137 89755.93152 71506.07982 97586.60007 78808.8758 109836.9385 111554.0716 51223.44611 76320.64298 70784.92088 86845.18678 68998.04843 173045.6316 58141.67672 96422.94449 64110.27079 64735.29392 107680.2051 72245.5319 38544.74927 93591.65247 61207.2926 81754.57826 71053.71785 99837.94155 51197.27141 48106.71307 51753.88409 97009.9403 96652.62191 73923.23464 82950.35694 56184.40167 65442.36084 149801.9556 142571.8553 85535.50037 94744.89588 66142.6551 70505.59189 47844.55698 64056.77809 54184.42342 62920.95633 73959.75448 59323.16785 62706.87744 118.8451953 258.7131708 228.6159807 166.772733 360.6610468 284.2390351 LPE(18:0/0:0)_feature2 463659.0478 665815.6338 321674.1264 719064.3023 327460.6391 391671.2491 1084918.985 393001.6567 744735.8126 662526.1838 688149.552 881374.5856 559745.331 614661.4897 710067.2781 579329.4468 658726.3418 662552.0422 863651.5625 481534.2267 668168.3275 894165.0864 447227.2968 818761.1761 632188.9463 811155.2997 634578.4125 1282606.198 534783.4724 835724.7415 661601.7434 645664.5288 903034.9132 552982.1105 247737.2934 893095.283 375025.6748 892002.0087 523860.7865 625857.7607 413293.0094 654034.8353 368601.7025 1225263.867 904887.9132 619830.4231 771078.0022 383539.3309 444921.6631 783486.1301 809030.7351 766054.1977 511728.1742 464247.4373 458049.7561 467197.0893 421182.8605 445000.8938 422077.8378 450013.8919 434415.7471 438111.4737 915.7459107 672.8020817 572.7477945 1101.368172 1676.552881 2916.828572 LPE(16:0)_feature1and2 159009.3573 205416.6614 97067.16641 219530.7898 94112.97777 126852.1796 318165.7529 108413.8412 213279.9727 203039.9223 210036.7122 237651.9224 165940.6673 181454.7214 210027.1278 169483.7817 175896.3454 183098.8085 258421.962 148308.5034 193883.5331 293758.5681 133851.4933 255155.6037 189948.9551 259457.4516 200333.6178 269696.6836 151636.5599 270478.6066 210868.0872 195001.7153 264270.4487 144168.4039 68923.49639 257328.4608 116395.2119 276342.1811 159423.4188 175844.689 121944.6382 193133.582 117672.1801 342011.5818 260985.5523 189399.0394 246846.7559 104416.8263 148644.5783 204600.1376 221797.8547 211737.051 132390.4004 127005.2172 129906.5456 127112.5331 123931.3146 121992.3999 130847.4588 142841.0586 134018.7122 133625.7732 599.1714613 951.7406941 1142.374781 522.2829428 1188.347039 1377.82865 LPC(26:0)>LPC(26:0/0:0)_and_LPC(0:0/26:0)feature1and2 60671.02595 76801.02299 45585.75276 74424.60855 34903.48427 70262.00301 131922.4691 86692.46631 84902.04832 90463.86616 88883.11353 77142.44083 93355.19612 79218.54775 74875.02041 96454.77121 70114.81896 93750.48612 125521.6008 92944.76394 55009.85539 107901.914 46344.03494 83209.45912 85709.44152 97763.71507 78568.61747 79691.72412 62585.92008 122100.5014 82203.04357 68173.98463 164326.0706 64308.96362 34283.14491 110340.77 52586.70925 92210.29857 75697.7455 99977.23495 44294.59773 96771.3511 40620.25092 83809.17143 113768.7777 88908.9437 83005.77443 32958.14141 51964.96509 94005.50538 103068.8826 114196.2941 68015.9877 63692.08521 57811.38106 54615.3595 55373.14088 60070.64615 58900.35913 51049.95164 57599.36712 53687.50378 228.5489995 240.6806748 225.2941284 245.4301691 237.1282421 241.9330627 LPC(24:1)>LPC(24:1/0:0)feature2 76658.18411 100776.665 59453.92131 87136.24535 42989.03243 97592.17025 248021.6232 132336.6462 87206.86652 111353.1812 108310.2971 113549.8967 121445.6391 110067.1252 107279.8219 129438.81 87200.22666 156207.2185 210574.8112 136469.8978 70203.67562 170935.1915 40986.73602 103039.0818 105278.8757 147797.2593 90727.58654 134117.0238 78059.44224 205537.2284 89330.99762 99897.51739 264925.7991 91712.02125 40839.0446 149959.4363 56803.87404 110764.3284 83291.19056 134753.4642 47181.32087 112524.1401 38516.29277 81655.24047 135577.2029 138747.911 131746.4674 43359.36446 59205.36709 144547.1228 162737.9349 160696.1719 123530.5145 69533.07608 66450.3253 68924.93678 64332.65359 65275.44311 63807.42812 67882.36953 68976.23304 73225.40159 367.9172741 548.2286031 517.0682087 374.3946197 516.4586402 523.4412422 LPC(24:0)>LPC(0:0/24:0)feature1 242071.6076 389851.4815 171800.3383 378812.7947 120747.7411 311417.3382 928171.5187 401732.0222 375628.7004 409955.9403 395964.8463 421139.9772 451781.7938 422606.44 475959.4364 434451.4527 341577.3763 529165.7155 798787.5713 476360.3969 245791.5127 653803.8438 138058.8091 395402.0906 365657.6292 586489.6899 377095.2041 586104.0158 277515.3347 764803.5216 329838.4472 362470.3664 982785.6349 297085.4865 139120.9121 587581.0734 167601.776 451085.9981 299685.3392 460746.5462 159999.9456 414143.4647 137065.5827 409041.7019 526372.8784 457577.4852 474589.7558 120190.5236 201022.0305 626380.5081 706572.5259 660188.3607 381828.7572 240130.997 225848.7649 234439.6938 229522.6582 230948.5413 226127.5093 226104.1816 238781.9198 232269.2874 514.2487346 654.7365667 654.3523852 544.2972049 737.2822846 795.0793011 LPC(24:0)>LPC(24:0/0:0)feature2 13009.25332 20315.56797 10213.85591 18417.10711 7535.21223 17961.62307 45589.15091 22491.03324 18299.86601 20293.39376 19580.31273 19078.39407 26405.84506 20834.51027 22976.28602 23170.39057 17129.85648 28025.88221 43796.59413 25689.45549 12409.35796 35062.25769 6579.749635 18203.45625 17178.6238 28681.75653 20014.58817 29599.23432 15516.61582 40970.36549 16402.83394 18463.46093 54164.11863 16852.63631 7617.277244 31867.00842 9324.543867 25190.59928 16403.15503 26307.28807 8659.818096 22954.03134 8053.85028 18286.75973 25607.48821 28300.34615 26705.38885 7526.323115 11027.702 30691.92416 33857.56524 33403.80423 21875.3982 13235.41356 12684.28592 9924.082412 11179.89177 11525.80936 13039.79305 13529.57851 12903.53351 12630.7547 205.1112801 197.7284059 194.4391493 208.8660436 204.9415103 199.1817728 LPC(23:0)>LPC(23:0/0:0)_and_LPC(0:0/23:0)feature2 59068.91336 86021.62059 39684.47681 88278.86537 22865.50741 89555.57558 206755.596 113571.5512 80521.74795 102099.0454 95249.77711 87514.0507 109686.4912 103751.7606 105012.3483 107586.2644 72090.22311 136762.0649 198300.1656 122040.4987 49489.89983 153925.4814 31752.61978 85851.83405 82570.75588 121818.6048 86443.13489 118595.0663 66845.82912 173927.7149 67829.80303 80862.14845 223877.0414 63623.73122 33006.93936 127552.8552 36158.3999 101182.069 63280.58649 110729.6865 39058.92929 105289.8143 28116.97978 75111.73268 115752.5866 114409.1928 103058.8297 25059.37886 46561.12271 153212.0568 159524.8508 172498.4407 105160.3606 58385.60015 53552.34723 50648.95248 55211.92661 57309.85771 54132.12908 55297.73967 56636.16378 54937.57953 431.7969533 985.2631095 932.8933721 431.1054719 1028.789091 965.9490186 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)feature1and2 666108.6469 336435.5523 260493.4764 358950.2607 255941.1161 301577.4522 534195.7707 288646.1273 304327.8459 382693.3124 404803.426 325857.794 301774.2797 388320.3331 325454.4256 302637.1318 444758.7635 345845.0743 339064.755 263455.1152 379423.7916 371434.2645 233966.8664 299130.3102 276120.2331 379954.0421 267291.4077 658038.6975 214582.3281 457730.573 372735.5025 293084.3358 243688.4607 368030.0489 109881.6972 322419.024 235226.2655 385316.639 208412.6331 397297.4447 199143.0194 260007.0257 180945.2214 445739.5619 569740.2375 265782.8069 313655.8545 291762.6368 304686.8901 443356.1146 590874.9936 334197.0417 457587.3443 296204.7719 307105.6153 318554.6205 320843.0972 330072.4823 322542.8683 332606.3242 342265.3581 341553.6906 266.9852324 5850.082206 5846.334934 291.694929 5839.94349 5757.378622 LPC(22:4)>LPC(22:4/0:0)_and_LPC(0:0/22:4)feature1and2 126663.3739 79965.96618 53703.72389 79973.49967 42199.45803 60731.22983 115430.4578 58301.5033 66627.5735 83158.35276 87208.92083 67342.00034 63828.84316 68360.46522 72599.03597 68826.71762 90285.60146 74880.10208 55105.58643 55200.57345 79096.2326 91293.82681 41606.04694 59624.1671 62703.39171 83620.64244 56525.35832 167738.6846 34309.5276 112639.609 78776.39021 59834.44847 65493.21338 85596.19866 17793.03886 71704.44025 46249.97371 85867.24621 44374.13466 85784.90398 38892.05289 61835.31204 27580.94705 98804.61793 116446.1963 58526.10389 74597.36128 44960.77393 58707.84668 94235.07869 130743.2225 65559.84351 69402.22073 48649.31603 58497.26011 62897.09281 68302.3296 77498.21643 81459.30279 84281.36705 90201.53283 67224.52233 283.7670654 1401.838477 1163.96417 312.2212433 1317.445324 1501.303855 LPC(22:1)>LPC(22:1/0:0)feature2 29348.62194 32258.17882 26096.48883 36274.4272 18541.45379 37401.3284 77106.13687 56336.388 30894.24205 37784.36867 37260.1783 36702.27397 38960.17658 36064.06012 32843.25414 39901.38413 35483.77662 47481.8434 61105.24327 41410.27723 34432.59908 60572.9199 17600.1418 34292.9741 36738.58613 41541.23157 28293.04294 63182.14825 29171.82854 67156.04889 25281.1817 34754.05426 71623.52962 40684.28786 18034.35755 52222.23101 24386.66975 39053.51085 29520.34371 45801.16968 15320.26342 41860.27373 16803.44255 31036.71002 46248.07846 48008.31778 45463.5573 18002.74874 19988.61895 76705.19338 97983.77774 74636.91873 69385.71448 28614.6681 26954.67756 24552.38314 26915.59331 28156.18337 28055.59785 27651.8312 25057.7784 29753.0956 770.5203622 1064.082459 1061.962165 800.290114 1192.232782 1208.262159 LPC(22:0)>LPC(22:0/0:0)feature2 89335.92181 120896.8856 61216.57141 148252.1351 41533.53415 113882.037 338951.9955 149452.4174 117901.0714 157148.6693 160989.0601 125746.6149 148427.7687 149640.0409 163863.3366 142047.1063 95336.92517 187114.6217 306756.4887 158669.8028 73120.96569 269676.8046 46955.33023 171112.4274 126771.5885 209620.79 132085.5403 196905.1489 95813.62346 298738.477 128156.7845 140945.6735 377280.5976 104435.9103 48393.67971 236439.4756 56809.83209 181789.9735 102239.2603 179922.9647 60083.27022 173941.8662 39678.39722 139019.2111 188775.0728 177616.0009 167916.6128 40970.59985 74938.70808 183579.0837 194046.4446 219967.3247 112255.5524 77212.90343 66440.1182 74902.73882 70826.10838 71428.12942 73241.92685 70504.8068 75044.52704 75002.50828 342.9022725 622.4128877 578.9046666 345.8962998 645.2944178 638.3251025 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)feature1and2 1365243.139 825401.5419 773525.3323 878273.9003 635933.2235 778900.404 1155579.942 768278.903 797374.8116 947150.4936 978909.029 709318.714 726984.2654 841473.8005 847107.7412 782948.1367 1153365.182 876137.6759 790756.4467 686486.9847 976047.5901 951415.314 570764.9052 794285.7014 676209.2136 942001.3308 662128.2841 1665652.785 522345.6204 1234834.757 895674.2059 766323.7711 681071.5864 953222.1527 289993.9735 847645.4963 600023.6841 969115.6475 518425.9106 946390.455 519954.9939 671052.5819 464079.3808 1102418.695 1363999.536 723432.2083 853886.5398 728355.1424 786842.5012 1161989.264 1539286.945 767022.0924 1085303.347 737177.6358 773857.472 798612.4234 805564.1701 828038.7931 805052.4689 814154.8217 853769.485 872989.2718 389.4163227 11279.37125 17071.14296 346.0258464 18427.51827 9919.555058 LPC(20:1)>LPC(20:1/0:0)feature2 146701.6422 164037.3605 121600.0786 146100.0673 99390.52872 164181.2705 317708.1905 228940.052 193594.6126 172728.3422 182862.2354 211821.978 163028.4248 136616.7711 167285.072 210107.5043 228666.4334 210707.6895 272918.0062 173327.0522 243705.7009 298453.0216 89254.53885 143287.8244 177818.5717 191331.78 134214.755 388289.7237 147050.0576 312809.5455 130269.0311 154152.9663 268636.219 194826.7845 73829.11137 225479.7875 107257.0741 208189.1754 128742.3732 241875.0408 70862.79732 164323.748 85795.70128 200044.1027 278408.445 207801.0773 219246.7367 100998.9583 114021.4895 236962.504 334142.2063 182881.799 215946.8479 134938.1978 145332.5685 128712.2326 145138.7051 147737.7623 136571.5332 159887.5255 157167.8343 153871.7137 248.8484231 265.7979598 690.1213134 249.6633157 284.5080073 359.0659048 LPC(20:0/0:0)_and_LPC(0:0/20:0)_feature1and2 42535.83207 57945.95201 31869.88218 62625.85537 25330.12358 57467.57194 128592.7565 69619.00935 59739.6912 63233.93636 70341.51054 60543.65461 64731.96493 67919.36832 65096.14314 65757.92749 54384.35942 84269.39935 114928.2157 65311.42678 44690.97015 123698.7563 26525.23761 76820.89283 71525.01634 83389.9749 55747.97524 87294.82072 54273.25213 115188.3369 55781.71819 58489.17165 133923.934 52538.01776 26436.43519 101802.3971 28100.94139 74876.66915 54382.67659 83163.32694 29492.00172 76431.91308 22177.95496 70206.20949 94090.1493 78617.6412 88109.25322 22720.42013 38889.76887 111598.9626 130724.7117 117792.9153 64293.57206 39767.35539 36453.63133 32586.34062 34405.05296 35470.49077 38977.04941 38330.67203 39494.98793 39433.53158 816.8193719 1128.021021 1125.773323 846.4780772 1263.871638 1280.864188 LPC(18:1)>LPC(18:1/0:0)feature2 1304921.236 1747423.545 921925.1527 1761223.223 1015502.461 1117504.944 2487244.183 1289409.786 1228623.336 462759.139 1449167.267 1853228.263 1277287.575 1202597.443 1565160.543 1667912.235 1958539.344 1951292.225 2405030.053 1482227.875 2353504.132 2530375.811 792388.9514 1144155.73 1696539.833 1503990.759 1123499.602 3025002.567 1344464.735 2868572.569 1127994.903 1197499.931 2217027.95 2235901.461 694825.1059 1506440.536 1153113.677 1918357.882 1209280.118 1362718.298 865739.188 1329757.613 959183.5107 1888048.082 2311985.304 1802112.948 1430446.846 1000298.077 1099309.537 2316211.437 3325934.969 1863697.769 2378786.05 1366754.489 1076167.118 1182912.894 1497976.482 1625208.441 1290422.372 1279417.05 1315196.441 1330023.413 717.7451484 7440.834911 6800.927867 793.5821801 7679.075379 7923.701788 LPC(18:1)>LPC(0:0/18:1)feature1 3112537.719 2347716.689 1709235.725 2319720.912 1475349.67 2081841.686 4112996.655 2288943.066 2302159.886 2596332.686 2666074.94 2499385.714 2474770.64 2281164.051 2461513.862 2640531.817 3202843.955 2706278.353 2786189.422 2447157.799 2857667.477 3041358.52 1396678.591 2291828.681 2332030.58 2957529.456 2090402.264 4778597.747 1576587.289 3679010.905 2423941.243 2064515.974 2634871.027 2920449.114 899223.9424 2548164.169 1510223.857 3072441.057 1721630.792 2663372.183 1230574.482 2234102.134 1248699.83 3021692.418 3463154.562 2364409.001 2449742.784 1758028.407 1954749.948 3277225.147 4203266.933 2442113.072 2999665.385 1859074.392 2023360.195 2078618.974 1999982.226 2064245.887 2265369.448 2285763.881 2367499.704 2441480.144 1434.544156 9306.412447 8306.237461 2661.782582 9228.583621 11940.26468 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)feature1and2 4796244.83 6764341.286 3161838.323 6605247.489 3082643.385 4968086.084 11270649.23 5449553.508 8019531.601 7398137.695 8439292.109 9084141.13 6726406.329 6923596.363 7230657.472 7463944.218 7033392.73 8648611.076 10005411.7 6627482.889 7728810.749 11430453.8 4146232.039 9654786.45 7322103.987 10366254.46 8009454.385 9249668.701 5713710.702 12586712.45 6423020.42 6520715.832 11658147.08 5707540.049 2686011.437 11132195.26 3809806.947 10529350.69 5826819.905 8578723.876 3818502.021 7247545.4 3625586.281 11855237.44 13005785.08 8065488.343 10805967.24 3754124.418 5168211.443 5803081.952 6896373.861 6865443.354 3901295.566 4514388.92 3887033.56 4489567.487 4402207.061 4613794.84 4984389.641 5028455.398 4720979.539 5072655.161 15440.03648 12942.93618 15649.38413 35775.08687 16284.11619 17950.80774 LPC(17:0/0:0)_feature2 43991.1776 60571.56526 33303.80622 68524.18767 26536.92462 48629.08459 120742.8871 47830.51858 63820.33106 65500.73421 68723.93801 73086.08392 56694.72624 62407.87774 61714.04165 71414.60706 63612.97546 80265.37125 90247.54708 60740.80242 53911.24241 110012.1687 33568.11583 78575.819 67092.29191 90224.69963 59002.28215 88093.84498 52368.44975 112596.7981 60772.65321 63684.83058 115387.7223 49362.66912 22932.67146 93869.05721 33017.11421 101478.755 56146.93774 69053.06943 34267.11342 64543.80564 31139.44245 87303.87703 99674.31719 70006.55911 94693.22656 26975.89761 40512.80002 67377.5769 70736.50713 65325.13002 49548.07773 42345.06311 37386.30847 36791.92204 38056.23877 41287.03229 42942.55853 48881.30037 46322.38644 48847.65706 252.9548808 467.45595 472.4465249 432.7742261 487.8847022 478.704232 LPC(16:1)>LPC(16:1/0:0)_and_LPC(0:0/16:1)feature1and2 60085.25991 49536.32358 48617.98428 38146.96854 32459.6337 53115.49501 73863.2033 53137.5349 47388.18606 49589.25513 65343.75499 62942.07093 32822.26991 46262.94647 43233.92454 54126.39378 63827.59222 45814.98812 50905.03672 33513.49941 59095.36785 59209.75257 34115.47292 42782.62561 45167.66053 53690.44536 28419.65746 95843.50368 40449.73663 92257.92624 47283.22026 37095.07987 44927.9234 49063.2025 21432.43519 43260.15227 40108.52119 54287.39818 38256.80203 39282.27553 30441.24724 54061.0511 37873.69355 64115.29175 73640.87736 42978.27218 62226.67879 52958.106 52521.88109 62721.01925 82449.83796 43759.92799 59716.76522 42066.39842 55182.75082 32347.95225 57069.90467 44180.98736 55965.08725 39794.14184 62194.38674 47515.33311 225.975775 5502.059915 5068.282548 244.128128 6099.764279 6771.326881 LPC(16:0)>LPC(0:0/16:0)feature1 1265805.058 1147043.024 690520.0314 1288764.207 616544.0919 842976.2942 1913683.085 815053.845 1946603.781 1731395.024 1412391.522 1217100.987 1115681.679 1170135.751 1086312.093 1241568.637 1526853.342 1293150.529 1445088.481 860864.3189 1528021.943 1576072.634 775205.9639 1321464.817 1052197.928 1447535.12 1036956.11 1973525.099 734830.0916 2002574.473 1464544.424 1262594.006 1302169.758 1181346.801 398262.3413 1487600.294 711050.3581 1528864.23 867081.2907 1314649.887 692587.2633 1170898.792 644128.9708 1858120.266 1132161.616 982121.5742 1357461.987 759081.4859 891357.2252 1362524.493 1801380.508 981906.031 862098.458 771068.1771 769004.8367 836987.0507 880576.1413 811674.2722 875808.7103 956023.6776 886578.4193 933091.8377 2317.754341 2725.801858 3057.050918 766.086145 3088.694886 3086.43119 LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature1and2 11617897.76 13566400.15 6708753.956 14019359.99 5752279.299 8458979.929 21710453.58 8247274.182 12871663.67 13581425.67 15681233.45 17502384.71 12770888.61 13067864.29 13961136.73 14026769.46 13914328.89 13758748.43 16702468.05 10870416.19 13772049.28 20783313.76 8318747.084 18548250.92 13465956.62 19889786.87 14078444.46 21612129.34 10189449.75 21566571.01 14710900.03 13451072.71 22002571.95 12340528.69 4517172.523 19656688.45 7763762.594 20202555.52 11838733.77 13619804.72 7796875.475 14732003.81 7077374.466 22966334.3 21014104.05 13477555.63 19166528.62 7284897.39 9649944.097 12287324.44 16074006.66 12534009.31 9662687.134 8070623.984 7911337.457 8409996.28 8589316.587 8753792.143 9298326.283 9387651.575 9605735.176 9863367.93 23440.86218 32878.35722 33062.72485 56952.2752 44996.30118 44875.32087 HexCer(t42:0)>HexCer(t18:0_24:0-OH)_feature1 18375.80012 24395.6 15409.91775 26386.71076 24998.14545 22526.10942 26973.89451 23245.48876 21876.20448 27263.82861 23285.28226 36712.78518 35662.61068 20186.19522 22617.37923 22045.72419 36317.90303 40387.74563 39976.81296 21947.86774 24867.49359 43205.80962 19204.33357 34279.30526 33954.96353 16482.20668 19653.85633 35552.3355 23853.95428 44549.83099 19243.47115 22509.08774 28871.23264 43857.52967 14917.26795 27996.51069 13396.68666 33926.02938 22059.08427 17437.51382 16295.39657 39610.26241 22885.67818 54448.86392 27735.21096 22222.47887 18731.09914 14749.67441 15884.0887 32405.40606 25728.79462 29721.8921 35427.15642 17449.40677 17832.38041 20232.66433 23589.25016 23728.3373 27322.14044 27020.41915 15852.34419 25214.45495 173.91368 298.9701392 307.7100919 181.056608 318.4726114 303.5047901 HexCer(d44:2-OH)>HexCer(d18:1/26:1-OH)_and_HexCer(d20:1/24:1-OH)_feature2 1979014.728 2256922.223 1468171.821 2339685.512 1453279.338 1817490.583 1973387.327 2217633.242 2416446.497 2645294.004 2328568.095 2356949.627 2297455.427 1900751.707 2276988.382 2344164.265 2132745.099 2348324.42 2066189.993 1895932.161 2077859.008 3057115.708 1604355.083 2056226.28 2091954.108 2190375.066 2137981.635 3217160.619 2260759.294 2908024.311 2141989.611 2026316.118 2744669.604 2396943.777 1261692.407 2642175.096 1497344.404 2458055.515 1969471.282 1707877.356 1594798.78 2728114.946 1614049.11 2677742.744 3023525.855 2413977.776 2101421.837 1377788.814 1662884.698 2961811.878 3021734.214 2988370.905 2019360.976 1469971.969 1367110.765 1411271.253 1438985.829 1372106.972 1365971.203 1441442.121 1409184.119 1389152.567 905.9520708 60930.6767 68971.81234 948.7138739 66598.74141 68717.78629 HexCer(d44:1-OH)>HexCer(d18:1/26:0)_feature1 2315776.509 3193647.999 1653274.423 3063723.976 2088505.841 2289768.52 3865424.309 2581526.931 2702974.818 3083795.516 2715086.104 3378337.675 2927672.635 2612635.67 3054128.008 2623117.022 3575789.532 2718258.002 3279634.911 2546701.63 3454563.417 3530430.27 2058869.735 2886425.69 2747012.472 2706459.379 2748247.204 1848818.881 2635594.179 4117483.497 2744803.034 2749973.354 3484292.677 3741741.041 1471733.754 3315463.783 1928208.743 3062718.659 2612532.765 2523410.58 2019272.819 3449170.192 2010381.036 5767284.319 4321101.178 3110848.719 2172034.683 1762973.233 2070175.767 3492246.723 2438169.23 3594957.557 2353878.735 2002503.602 2029909.27 2176225.826 2025140.335 2044828.384 1928274.404 1960265.348 1921981.587 1964276.146 1143.110225 3586.315365 2139.738321 1142.84059 3953.232864 4657.769834 HexCer(d44:1)>HexCer(d18:1/26:0)_feature1 1328220.003 1886567.045 837062.4772 1912455.982 887945.7743 1245619.766 3100824.959 1454625.956 1947065.762 1821467.406 2022747.503 2040077.824 1852848.397 1482925.821 2025467.506 1651091.077 1826772.131 1763815.988 2389737.526 1537154.078 1561997.333 2363312.27 979973.3738 1780375.475 1544306.376 2030659.76 1551421.883 1811553.611 1612752.033 2773650.201 2172611.149 1836414.386 2578715.368 1774548.756 692513.9084 2896160.428 1031412.098 2457594.381 1655144.129 1652195.883 1211598.883 2183226.827 1004769.177 3775664.454 2589666.877 2337568.554 1610494.61 878124.5833 1245350.468 1965369.717 1527609.182 1932069.65 1158837.487 1074941.76 1041059.775 1207838.05 1098423.48 1051349.22 1105270.311 996342.4251 1062551.776 1042187.203 1677.32535 3424.591131 3803.631293 1935.272701 3959.990323 4599.654763 HexCer(d43:2-OH)>HexCer(d18:1/25:1-OH)_feature1 3334336.619 3636489.21 2376406.377 4049206.962 2351193.888 2864956.418 4577296.886 3746872.793 3959061.988 4144648.035 3631596.618 3573158.945 3979482.554 3084675.531 3636798.859 3295941.389 3298685.806 3717905.02 4286067.883 3509542.017 3120361.157 4966547.289 2296496.719 3425463.53 3246282.581 3536162.174 3045501.971 4403354.736 3512451.199 4265464.201 2655542.92 2966734.839 4251241.31 2939985.529 2120462.612 3868928.172 2261348.826 3861441.878 2830107.015 3447259.995 2300419.077 3970880.365 2279334.872 4550568.12 4221763.603 4319019.37 3286710.323 1938039.897 2451963.601 5159167.791 6094678.183 6350139.799 4473284.125 2443468.961 2414583.266 2548939.206 2428498.125 2607697.169 2379293.727 2388917.25 2643192.057 2375346.616 788.3018279 4710.24365 3539.94408 947.104935 4977.392914 4437.482584 HexCer(d43:2)>HexCer(d18:1/25:1)_feature1 595157.4109 804793.0466 421531.0082 833101.0818 453658.14 604466.2018 1001116.695 634773.7976 694367.1667 851744.7923 714253.1071 789323.2358 725292.9309 704794.0333 824991.2258 673370.9138 904093.9819 738503.2035 892251.1194 657842.8269 1345534.132 858820.8134 450035.5955 722879.2066 596428.8075 678046.9315 654056.6859 395789.97 388597.8664 1030339.298 614612.8446 637030.2138 889247.797 827109.8553 307954.6596 846986.5199 417130.5999 730164.4447 565263.2688 596879.4026 472627.1117 758536.8718 471242.9503 2407138.495 1059466.72 703898.0894 562005.6523 373374.7064 456227.114 844965.0996 574504.3542 1665073.374 649331.2522 411248.5639 393873.1333 436122.4442 238519.6954 385192.0716 390344.0408 404620.6866 384968.8055 376765.8998 209.8368325 12317.31753 13333.28318 241.4998406 12523.58488 10631.25306 HexCer(d43:1-OH)_feature1 36296.61583 49623.42488 32341.90107 24717.65341 27997.23172 22413.76959 20401.40829 6882.589088 23024.39988 31861.67305 24697.61044 36363.49907 24407.99766 24233.55869 28063.96252 25159.86021 41350.11242 24513.59315 26402.686 13627.93476 46791.64071 26826.59009 31246.57901 29024.30358 28125.12644 24951.67484 38606.65091 9261.638427 28566.31274 34585.96388 12653.54469 24407.35827 19662.67506 36865.23445 21058.39034 28128.84867 20762.20447 12842.95837 22853.64816 14325.66576 17522.70192 22903.93792 22482.66214 27138.31916 21467.1122 17910.39577 14496.26235 15032.2444 9659.139622 31255.06318 11887.73016 38253.17132 26655.36112 32003.98254 26901.61708 23687.02048 22012.82262 19131.6523 20615.55782 18385.90063 14884.58202 12428.60649 313.0127144 1876.279459 2398.510106 297.2004787 2069.511754 1198.617821 HexCer(d43:1)>HexCer(d18:1/25:0)_feature1 3640931.143 5007596.853 2452014.766 5718042.964 2561080.802 3986216.102 8030851.491 4429127.304 5663259.333 5724649.732 5072050.122 5700738.979 4860186.35 4804143.522 5704110.884 4773382.966 5864715.115 4901420.991 6380571.518 5030590.192 4216011.105 6954055.594 2823376.192 5316631.965 4181647.701 4748480.231 4603665.65 4824508.39 3914156.473 7454619.527 3930152.73 4199131.784 6967483.995 4953710.136 1872016.298 6293263.935 2717873.978 5828815.767 4085908.765 4717882.634 3057006.417 5332509.437 2776448.08 6770997.342 5206016.443 5370410.187 4600610.86 2436067.1 2775729.026 4998843.62 4297260.605 4746830.525 3449430.786 2962830.261 2721827.629 3014882.61 2765012.189 2484511.944 2546639.154 2710326.773 2539967.963 2767277.275 2064.867879 5319.21996 6430.862266 1977.850771 5355.427833 5888.13806 HexCer(d42:3)_M+H2CO2_feature3 4102770.853 4605696.057 4092803.971 4434355.06 3732113.973 5037296.284 6878824.6 5292599.333 5313012.33 5293293.023 4119921.082 4907337.631 4572872.783 4665553.213 4759154.806 4269133.432 5844037.506 4789232.611 6322558.107 5333568.719 5748131.908 6221635.036 3553098.056 5609461.253 4784659.241 5711876.018 4913874.324 6662477 4277739.912 6976839.037 4676253.95 4929302.648 6740504.041 5306083.149 2695467.102 6013710.773 3755473.45 5637203.187 5053044.412 5281649.87 3304369.887 4700132.767 3570563.292 4813192.212 5224828.682 5618501.092 5252847.699 3963930.666 4000313.258 5280034.766 6475639.801 4417452.607 5160135.199 4209109.273 4229627.405 4052714.358 4028474.904 4059627.477 3887440.53 4011245.094 4216489.204 4049399.819 944.171956 8231.398603 6069.338348 999.1210072 8670.152012 9087.225471 HexCer(d42:3)>HexCer(d18:2/24:1)_feature1 159518.3608 170854.1969 91766.9936 129301.4243 76737.5176 124006.6454 248505.3027 148103.2488 186690.9719 189483.2708 156786.9014 158130.1358 146358.4835 139203.7274 156820.8845 131292.3002 125502.9129 149341.3526 208822.9498 157975.1181 127500.1338 205699.2915 91874.66079 156560.8478 163412.3738 174768.0039 153480.707 165682.9876 138036.5061 219968.158 172548.6951 134524.1307 261889.4023 115100.793 59915.20804 182006.2096 81438.56087 168749.1021 135518.869 161787.9132 76199.40202 171159.7769 74227.46282 189042.219 177753.9336 146291.5345 159116.5955 66734.19437 89692.74521 190209.7133 200421.3286 180741.2903 109733.6072 100493.4708 98092.13034 115366.2375 107210.1839 97356.0268 102993.4107 85945.36749 99441.96505 109851.191 699.7921173 805.5021087 788.1787808 708.7066271 1196.927651 1151.102151 HexCer(d42:3)>HexCer(d18:1/24:2)_feature2 92517.51741 131211.1124 60182.21096 58345.61501 39853.15298 69945.84221 124733.6284 66005.67631 84050.00347 89249.3502 89946.72703 77670.53979 70813.19811 73841.28451 96760.48672 76141.25936 57795.03371 90742.64093 103219.1328 51650.02937 74596.52732 82936.92517 40901.22315 72138.96988 75790.34305 71539.08945 67048.16195 100764.5996 83903.18033 90642.7081 70767.81003 63557.03486 82529.95617 61858.88909 46111.07636 56981.25331 47579.09711 74002.19005 61396.86705 50005.71882 37545.56713 76099.48883 36562.83171 88430.72902 98515.25497 66984.81835 48236.25041 32579.38404 29543.05545 140657.7339 166207.7128 136333.9915 81831.93713 61436.92855 66100.99204 58993.59056 70577.08737 66719.74659 67264.6565 59253.83775 68063.5022 61731.52989 209.0499223 281.1112026 294.7692631 228.5451152 360.5130227 333.7189056 HexCer(d42:3)>HexCer(d18:1/24:2)_feature4 3947735.374 2234948.583 3471870.503 4504401.14 3280328.995 4007830.341 5305158.278 4865814.845 4556639.66 4164579.072 5106702.248 4114425.036 4700279.493 3771892.268 5017688.488 4423066.534 3899607.557 4751538.556 5497376.309 2482250.463 3990225.505 5534745.559 3154959.131 4287349.601 4368815.62 4928968.644 4115278.845 5519485.008 4618717.605 5209755.049 4509349.599 4985564.645 6076651.425 4039877.396 2976726.141 4608208.321 3655081.064 4465428.447 4571282.399 4492630.922 3292587.968 4441671.055 2883138.959 4616542.46 5576538.673 4607046.306 4195520.083 2734368.588 3318490.611 5768691.128 5378131.033 5274308.481 4505174.297 3817146.526 3609581.904 3616045.296 3460575.557 3669158.414 3223623.377 3612320.445 3834712.787 3379462.95 412.1011215 105251.6079 109837.2367 307.3099282 112919.1595 108097.8336 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH)_feature1 509061.081 672331.2196 302885.9553 454229.2887 224914.116 410634.2222 638957.2294 420752.552 488620.4848 470966.8474 442867.5881 396154.8287 392022.5502 367754.0313 499072.4372 347142.3437 361121.5446 495573.7341 552146.065 283341.0393 394820.7608 446454.2911 233063.4294 369146.9816 416506.6079 422619.6769 416377.1905 578859.7658 437980.8385 465297.1501 361485.888 334186.7526 474553.9438 370838.7826 289354.5805 349149.5627 216498.52 389240.5447 355606.129 301832.5695 224203.488 450914.0202 224610.5271 441375.708 517361.2294 348994.9974 267444.652 183079.4763 172039.8392 813666.1915 790253.5669 721563.7123 415182.0451 322226.6218 382896.3277 342584.0615 383315.463 392521.9957 411166.2757 366811.7386 369721.8901 388888.9681 598.2009431 813.8806644 828.1452032 610.6043669 1002.591074 957.6097599 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH)_feature3 30146779.57 31748683.39 19519350.69 32894675.21 18399162.02 20835183.23 38971173.02 35244725.44 33126340.28 31025068.23 37117991.71 29927268.38 32037789.64 28366478.66 34712806.46 32803604.96 28401992.94 36785693.74 42539505.98 28254495.31 29659544.5 38903585.12 23109295.27 30859821.82 31294677.57 33505726.15 28758987.91 35600732.59 33149995.45 37719670.46 34065035.57 34427219.51 38323061.73 28535781.48 22532283.4 33764183.83 27625943.6 33058742.31 31595759.29 34588808.1 24849783.04 32476832.3 21389348.44 33304962.16 29517621.31 38196613.01 31198262.02 20639851.35 23606132.65 32424849.82 38628839.36 37347401.5 31888185.17 25373608.13 27579418.64 25802671.12 25506344.47 26822038.13 26335343.1 26687247.76 27220649.71 25440448.14 8600.322005 127370.4466 117545.7665 10139.57922 121284.7182 116985.2427 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH)_feature2 65113.45111 81968.46809 50924.6863 72159.57902 28864.26651 38834.50581 86655.19759 44481.48274 95825.92419 72487.97374 60427.28365 69513.21651 43905.83132 52363.85865 76133.39801 43335.47866 63484.73304 72435.2269 78028.37646 48110.9208 45637.58868 66649.4957 39001.92415 69102.12471 60739.89834 37974.52591 56717.36334 87783.6888 55304.06413 60797.87942 53980.75861 32323.39871 50418.51725 44652.4 23234.14617 61308.61569 28317.85661 90549.68338 41365.02906 31551.94486 32859.75294 54583.87947 30484.9523 72768.79979 50082.18165 40651.55742 41198.56283 28064.87937 22945.8697 124443.4507 121387.7091 97302.75019 50729.02602 47381.52426 50398.9806 38072.76703 42467.8812 47064.34522 51749.12261 41152.40974 50104.73593 49736.00097 544.7391075 627.9190989 939.3640644 559.1503163 712.2663964 861.1671299 HexCer(d42:2)>HexCer(d18:2/24:0)_feature2 17177.83704 32785.54037 9031.645301 31028.55062 7589.291275 17895.81729 28466.56675 13540.71424 35025.97164 34904.02603 25123.50676 29344.40826 23095.67252 23579.54858 23424.40215 18785.42604 20257.12235 15882.36112 29435.45224 16019.15648 16639.32425 20581.57278 16726.69545 30722.60401 24150.28927 17639.07946 20372.19349 34279.04799 19131.49153 39367.31587 43128.22153 24837.11054 44155.33504 18527.67166 7879.795689 30328.57387 12759.1624 30507.71954 17958.18435 14985.23126 10546.74854 17463.88938 10378.38261 44543.08092 32828.55246 21005.50401 15811.36871 6669.200202 13901.37678 31595.75497 24806.85483 19395.70448 15943.11174 11515.67282 11506.25113 13314.10303 9020.720272 12928.33785 16893.62903 14773.18755 15352.99149 14269.23795 209.7982389 236.8814714 235.4449989 224.0543928 247.4186409 261.7625806 HexCer(d42:2)>HexCer(d18:1/24:1)_feature1 1279930.899 1494011.906 874046.2034 1332673.954 763689.0275 1254725.865 1631455.231 1447934.431 1367513.354 1202851.605 1375158.461 871010.0622 1188325.419 1039459.659 1419351.855 1026884.963 1014234.534 1211696.303 1431039.152 1025699.004 967978.8776 1234520.381 714755.6734 1010788.615 1124957.129 1048701.173 1091008.638 1350329.352 1351288.608 1263969.408 1238194.834 954391.8381 1476416.494 1051614.779 800386.9945 1189678.7 678240.8656 1080460.106 1027356.407 930961.8525 1336685.249 1450381.004 660596.2931 1102513.852 1352489.638 1046940.751 857752.0408 569486.9996 583553.5251 1781788.791 1809450 1852906.793 1191715.522 976041.801 1023126.052 1104420.792 1004946.239 960653.9395 1051806.748 995130.9852 991069.0208 1119025.714 665.3226189 751.9124227 802.792174 691.5304057 890.1853809 1011.540223 HexCer(d42:2)>HexCer(d18:1/24:1)_feature3 40031330.39 47159063.58 32638696.01 45557350.08 27579397.22 39602790.68 67087041.18 45437036.42 49113659.01 50662301.27 47731268.38 46870125.4 47059785.1 42470346.14 50238435.85 46736674.54 40457214.37 47017294.39 63569461.33 47598545.84 42238054.16 66119590.51 31911750.1 51015861.76 48649749.33 55555908.39 44850869.01 53237829.22 41226604.73 62923654 43991035.67 49328882.15 72302395.13 42181602.65 27905964.59 58809064.66 33264877.79 50525281.69 46853818.84 50005950.26 30762740.46 50014025.92 29636792.2 52640934.06 57745069.45 56998080.07 54848717.99 29359001.49 34219469.46 48691766.09 49849919.59 49938873.59 39230960.73 32148452.5 30879004.52 30306525 30396527.76 29732721.33 30433304.09 31157077.8 29399524.5 30941551.53 10179.65768 103379.0926 96947.01643 10807.7496 91909.09786 105494.9816 HexCer(d42:2)>HexCer(d18:1/24:1)_feature4 16026.28587 18464.93705 12115.35472 29963.02706 18387.66492 14043.29221 49101.79216 13065.03409 16520.80058 30059.59998 21398.54985 21598.82837 24062.57537 19146.7627 20182.23439 22784.25727 23189.39051 25297.89547 23212.32826 18630.25592 18995.96874 28525.75052 7783.097705 25709.73549 18377.51334 14685.32691 18887.31987 19801.11859 13952.81685 28230.10575 17976.18649 18187.26195 27880.32132 22587.99917 9813.299984 32194.25392 10005.01449 25386.80724 20838.20455 13173.3296 11834.66023 27082.86066 8128.984094 47147.59433 34774.82249 32110.06568 16348.33044 13149.88562 12842.17511 31758.72525 29106.77913 34879.06586 21265.72773 9485.354668 10712.63136 9007.407166 9706.496561 10249.91807 8959.952463 9466.085939 8992.516459 9482.155178 259.5933949 1708.282696 1617.982801 283.6289299 1698.059754 1784.704783 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature2 51277167.13 56816369.08 43459566.94 54513488.99 52100680.53 57383258.76 62368192.23 61152142.26 58059743.48 54304533.95 55743013.58 54559598.46 56117781.82 47146712.58 56620166.25 49612850.32 69944814.3 49082927.63 53232897.77 51486376.61 65298432.03 62258400.93 49411787.77 57231866.79 60181914.92 55056679.67 52299286.77 35858672.76 55661469.76 60359948.64 55932094.7 49023271.2 66158936.92 62198606.67 45693696.63 59073056.38 45088849.79 53386824.81 52822860.5 50068637.8 49142073.07 58163650.48 45112542.18 81579919.92 80056980.37 53175069.02 45154413.07 47467807.32 44822693.74 52012935.37 33832401.91 70362654.69 56346372.54 43829611.15 48677126.07 50892740.56 49644412.68 45150667.7 43674346.26 44630719.9 49238479.01 46202756.9 26912.53689 120739.2208 123574.5476 34779.26744 130446.9413 124999.7481 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature1 575310.9809 658933.9494 464257.0362 432643.9045 431306.5464 327141.2646 667041.898 261380.6046 232784.7936 403131.3343 430543.9948 526534.9967 475436.518 373638.2883 596520.6823 372307.1066 538648.1081 342144.0209 451888.9023 381346.7045 650402.8651 563077.8745 414515.2274 474767.6064 399190.3981 502592.8729 405234.6771 310093.7509 480978.2424 660940.2833 374132.4685 427814.3443 488194.7393 605949.5097 348715.7226 676225.364 321697.1304 415343.4128 398322.8064 414663.6146 320921.5974 409164.7686 323900.6672 528441.8398 711083.599 335398.688 451982.4491 287956.556 292700.8945 455066.3295 449798.5177 623991.6072 438798.4485 337843.7716 595123.9431 401676.5492 324566.7435 376248.7721 377665.5498 344538.9033 364402.6299 224013.6695 531.4731751 1780.397445 1488.768951 520.1907052 1069.433657 1194.586763 HexCer(d42:1)_feature2 10016.33854 4289256.331 3263316.867 4488461.105 2473319.871 3549920.314 5673928.513 4116725.558 4099503.649 4622765.391 4316393.839 4227454.3 4466251.157 3738544.545 4544607.717 4024496.871 3705043.305 4456071.644 3461713.578 4063801.438 3755812.546 3904619.94 2745898.586 4452170.986 4018139.002 4775788.456 4182768.23 4400787.545 3654785.381 5470237.928 4028485.741 4001146.106 4050659.292 3571739.71 2318165.645 3705597.452 2900101.372 4579071.442 3751306.042 4324734.77 2954302.061 4326310.013 2750227.92 4357817.76 3513604.556 3397770.641 4127007.577 2464095.833 2868651.98 3555806.663 3903092.265 4186359.049 3264507.32 3028474.697 3081031.553 3017387.841 2823380.22 2960434.06 2876858.208 3030336.719 3046265.721 2775341.296 180.7360175 14978.93415 3268.402 207.6975034 14778.10492 13323.33212 HexCer(d42:1)_feature1 20191.01202 25729.44445 13027.63841 21757.54355 10723.80567 19096.77101 33642.52118 20881.77147 23158.19553 20511.62815 25895.75152 17690.16785 19331.40331 14508.16008 23226.94136 16560.28756 15555.91794 28214.35294 33130.84906 10452.06646 16674.2059 28074.67424 10224.58171 20684.16759 18969.39193 21180.12922 11921.7119 32989.77549 24933.89258 23899.9137 20483.26567 14561.14885 31606.98259 16355.71124 13573.26699 22045.26445 11552.15529 18682.02704 16967.41551 17762.5528 15886.04537 26692.67205 8390.581213 19285.26606 27755.74658 22803.08602 18850.31893 7407.937205 9726.97715 36402.17738 41020.49595 41452.2767 23918.55889 14227.41975 14683.69987 16521.14652 13778.15229 18561.38481 17762.49156 15350.99684 16812.24664 16763.56195 177.5406689 201.2967767 199.7580333 190.2855063 256.2143535 246.5101667 HexCer(d42:0-OH)>HexCer(d18:0/24:0-OH)_feature1 111987.7543 149500.0669 107846.2434 151736.859 93831.62569 131525.1142 239860.4171 151611.7184 159698.934 183358.4455 147547.5495 191712.197 154325.3008 140323.7902 203007.3617 148547.7158 168263.9352 170746.8441 213631.7696 169512.5544 33907.64594 227321.212 114070.303 181068.4117 151241.2443 212899.8352 173051.9585 205366.5583 127859.912 240072.4105 153750.6683 168571.8168 245669.5672 151386.144 71916.34674 216947.4535 96972.26692 219717.6382 156133.718 164484.3664 104306.6152 178306.6685 106372.4059 218411.1996 200449.0759 206262.9376 192454.1743 102685.9746 108314.1243 45170.47092 185427.9888 160531.5067 120426.9135 105790.5488 97501.02085 102422.102 54723.5479 103696.6496 97334.40195 89010.32844 96535.74645 96725.65909 409.7432363 2072.55426 1640.372951 460.6718886 1855.180799 2240.727769 HexCer(d41:2-OH)>HexCer(d18:2/23:0-OH)_feature2 2259683.225 2857922.934 1595029.995 3078478.511 1682007.114 2056660.922 3968369.929 2024340.307 3923282.649 3503712.284 2744505.343 3766475.45 2502469.299 2820532.558 3134183.965 2330643.838 2901923.178 3088947.443 3327348.245 2516148.609 2462437.283 3799489.979 2127261.308 3361819.387 2663244.118 3092963.022 2858442.773 2962073.427 2325970.697 4138337.387 2443656.887 2671430.732 3581762.198 2313754.183 1107320.006 3214151.259 1876639.258 3725059.233 2175958.301 2798960.715 1894186.369 3062038.741 2007194.792 4036549.299 2838503.4 2847944.427 3156462.551 1838321.225 1949823.506 3518132.611 3689812.238 3751800.707 2587590.159 1809074.882 1812309.946 1743875.177 1619668.864 1630519.135 1669896.217 1634054.107 1775586.917 1658356.242 841.1739431 42400.02529 42106.17329 911.6406135 41176.01825 44226.64562 HexCer(d41:2-OH)>HexCer(d18:1/23:1-OH)_feature2 232503.292 314983.7681 151032.3234 284916.4727 147323.0726 248236.8198 926976.9363 325299.9176 377524.6814 333714.8295 326299.1181 321662.1182 277193.5743 290500.5395 294392.7738 260074.1646 300350.3346 325150.6167 569684.5972 262977.8274 295279.1149 613861.2485 121317.1475 333815.8277 318742.7881 399423.5404 274814.875 519492.5422 221296.5068 590888.3894 290612.0841 346411.0821 684551.6737 239007.4787 114140.4033 541235.2011 147670.2776 641261.6504 302319.3622 394096.6668 142173.0925 410039.5004 121341.0538 365294.6701 398080.4152 416512.3476 377380.5312 143178.9923 180990.5097 455190.9844 435925.8584 412888.0406 291902.4424 159472.8808 144155.8818 186463.0697 123477.8985 130347.4418 140740.3642 147892.0463 129444.0653 137220.9863 853.9238203 1640.946484 1809.39042 895.1273446 2334.177935 2267.778096 HexCer(d41:2-OH)>HexCer(d18:1/23:1-OH)_feature1 1264532.332 1769114.317 1037240.1 1736543.853 860277.974 1565651.496 2342144.949 1832196.139 1823759.721 1775789.242 1765993.405 1571043.87 1671825.076 1332147.164 1783505.752 1499798.974 1376398.28 1842964.886 2358744.915 1563413.383 1315616.691 2412769.169 988209.457 1542044.139 1480803.366 1635014.927 1366929.371 2067457.064 1479016.082 2080855.209 1252550.809 1388183.452 2241214.732 1301972.965 835013.1515 1845288.071 865600.4552 1798837.744 1292608.252 1603846.078 960763.6494 1851026.41 951598.599 1887026.919 2133313.856 2023670.924 1761813.598 789160.8982 1074386.9 2077955.972 2303599.766 2677234.116 1621711.266 1055207.023 1068294.809 1077538.432 1008815.21 1023960.539 1018693.104 1016724.496 998153.2967 1002085.214 649.000008 6216.174337 6776.041218 686.4151195 4077.376752 6809.447073 HexCer(d41:2)_feature1 479341.0136 466112.8042 257117.3988 359756.915 379527.4517 404632.516 738787.1355 379343.2925 574396.4613 686591.36 491105.0384 430916.6278 437320.8829 553181.0984 551256.1685 481965.777 628424.3351 542959.0558 591842.6015 352265.3355 384939.5135 503970.3958 452209.081 691788.2897 441909.033 516977.3818 574112.2536 550370.6489 420386.3439 598712.8858 625565.1849 495245.6051 524434.9641 408997.5081 224306.7089 497455.7629 444763.1166 524133.8332 521758.5404 520259.7589 406059.3629 452287.8152 401094.7708 576840.1637 453022.8881 428361.2649 2794206.608 429764.8473 441475.9667 411500.2073 435670.4958 386282.7944 370777.8442 412989.4768 401842.3349 377495.6992 368234.9608 389229.3459 404429.7345 366241.8976 390831.5551 374183.202 374.3306592 9149.029644 9789.657799 391.3290695 10162.62802 11412.10621 HexCer(d41:2)_feature2 971480.336 1215274.744 1449832.615 2022444.153 1249681.98 1661872.436 2840617.864 1891193.111 1272304.511 2209616.964 1300595.087 2432006.902 2036721.247 1140877.253 2320587.345 1980257.177 1084077.458 1373226.039 1721099.376 2253887.227 934002.3442 1857694.911 738596.3811 1202530.131 1196922.083 2357368.9 1118592.423 1383031.203 2130770.563 2968608.132 1052844.109 1274563.45 2076254.849 1880834.142 716721.602 2774134.466 1200426.565 1414447.276 1038145.977 2226042.663 711152.8296 2257068.549 660925.89 1254555.394 1465218.526 2406446.225 2907871.691 1351593.111 811703.6797 1936472.979 1250503.678 2105490.977 870497.2309 834257.6633 793010.7661 836797.8831 706237.5178 717041.5973 778665.6107 779190.6454 803574.9559 784635.5173 612.3324464 7176.944972 34415.47623 640.3071046 26357.76823 27853.52926 HexCer(d41:1-OH)>HexCer(d18:1/23:0-OH)_feature2 18811196.81 22038921.94 15130926.6 23184649.87 15264518.33 19007892.35 26491047.3 21471253.71 19800924.15 22979398.51 20009489.91 19617505.27 18960131.44 17811330.75 22532029.86 18375496.03 23181043.35 20847039.16 22717203.88 21675567.78 21889653.4 23586939.88 15898059.96 20009424.06 17535921.45 18563441.46 18617573.38 11532961.81 19591171.43 23854056.07 16279753.27 18176502.19 21192173.47 21559308.6 13034888.46 21484221.9 15003645.77 19252941.26 18420878.91 18703682.23 15078121.74 22927975.48 16025588.76 27643117.04 25092324.87 22070692.31 16964943.15 13072892.95 16478956.31 22543957.33 17171410.48 26516091.41 19839984.01 16618728.12 15701135.48 16434793.05 16217252.89 19045279.59 15300406.33 15331483.78 16520365.64 14887489.28 6443.349297 17062.52834 13351.87315 8411.840212 11252.7684 13885.33845 HexCer(d40:2-OH)>HexCer(d18:2/22:0-OH)_feature1 2144318.269 2309682.327 1691270.579 2920945.248 1598668.267 2371888.47 3449614.672 2393814.129 3263319.874 3317079.071 2794566.455 2925242.154 2692881.839 2201714.133 3036373.767 2048406.807 2203254.987 2901054.347 3788112.498 2256457.408 2751298.278 3194195.912 1986772.898 2543756.047 2821766.366 3058900.024 2434928.099 2500958.039 2160010.358 3487286.631 2620943.6 2513631.491 2835821.832 2410068.46 1112951.561 2755149.407 1982714.101 3324529.29 2385928.691 2540593.841 1820953.434 3188648.621 1935795.479 3381742.002 2198610.335 3227721.444 2596911.703 1952735.214 1973515.293 3602531.858 3082078.575 3512461.143 2799649.879 1901742.574 1517737.996 1789895.283 1752579.13 1664877.066 1823465.45 1817908.759 1817223.211 1784908.218 789.0784368 15859.92535 17932.67389 825.3397382 16980.72143 8582.989926 HexCer(d40:2-OH)>HexCer(d18:2/22:0-OH)_feature2 121522.5883 162520.176 100745.8238 161879.1202 89035.32216 168863.6573 268210.0804 196165.6751 209353.2847 197551.6654 154008.498 190556.82 155465.617 143533.7655 162585.2932 163773.8061 131750.6939 173790.2658 230545.2271 164250.784 139709.4202 260985.9075 96765.59011 167033.6475 176926.1011 195773.342 154582.2924 256167.0605 132399.1525 268962.546 139926.9808 159164.9792 288661.1731 134911.5014 93526.86271 242434.3169 98114.30858 215091.7076 173140.4473 227375.0841 92918.17232 169235.5197 92180.07509 166016.8748 187464.0031 200361.2463 228833.2208 95474.4227 103950.6616 217013.1451 273400.1909 213686.5211 196643.9756 87737.53704 94160.11252 82357.05336 82585.29226 73619.21941 79144.16723 76740.57536 75172.65518 85205.2069 398.8706124 1926.966128 676.1993231 377.2589785 1856.967392 926.2294127 HexCer(d40:2-OH)>HexCer(d18:1/22:1-OH)_feature1 577395.5105 624215.6507 507140.9088 676070.4541 413652.7639 737695.2137 829783.2398 910542.3465 723421.32 671754.63 758650.2823 535150.1729 756156.5786 598244.8129 738948.2891 605008.629 375947.5388 761813.625 879294.3106 786767.0477 507319.3278 987517.4942 418996.3365 675751.6364 719684.6976 703843.9245 641650.1804 755528.1703 719984.6052 901774.3478 619639.5179 642055.7108 1044946.326 600119.8999 501622.0044 843900.5937 475503.1625 736215.2244 634965.5032 774100.8359 452347.6859 933756.7083 440652.2435 616134.5651 795241.5192 839990.2666 733112.9562 386911.2377 494041.7885 881182.3216 866619.932 1013806.096 714032.6995 620239.0682 535522.9537 527507.3299 519553.5324 573709.8748 524192.6885 549204.0773 514888.2906 581588.1097 639.0027385 1021.855931 1386.602941 694.1931032 1145.865076 1071.653158 HexCer(d40:2)>HexCer(d18:1/22:1)_feature1 78482.32812 120800.7613 89908.89276 155713.2409 44424.45163 105573.0165 91744.36656 76515.34888 111808.7015 68426.14017 118199.8545 89076.20215 78021.27428 118513.3059 119364.0176 109315.7675 132162.4827 73762.97999 81228.91617 102718.3157 120251.3131 150580.2037 74268.10575 140150.992 116683.6393 116741.6644 116531.1303 177965.6729 101439.1975 103699.9983 72574.38742 106047.5919 84805.22552 6833.903164 45832.35246 144794.0443 79229.08843 158293.0229 59050.25884 120452.1105 78778.71118 97378.3488 80153.24269 149748.5751 90561.58201 83023.68173 144152.1927 57296.41486 87790.21251 107743.9889 142509.4582 135533.7777 71898.85493 78316.22431 93173.54077 82890.37151 52939.46188 82778.34753 54652.55712 48070.07447 70939.09012 49220.18669 118.804985 132.6393781 132.0450148 126.6348724 147.1116602 146.8047484 HexCer(d40:2)>HexCer(d18:1/22:1)_feature3 2935419.659 3117178.658 2371123.185 3192776.891 2335560.623 2737614.286 3148650.606 2887979.973 2576904.819 3181982.709 3167875.349 2609742.494 2780915.108 2702747.864 2917617.477 2778838.049 3003767.896 2876765.204 3022440.778 2590438.124 3005692.212 2924616.138 2323032.108 2827354.558 2846729.489 2541829.713 2347492.053 2448827.503 2771552.053 2923296.654 2604123.89 2607588.697 2905922.128 3149447.37 2269068.943 2798367.759 2394617.515 2253470.429 2649078.02 2486032.288 2295386.438 3116129.215 2328506.054 3381442.742 17442.60549 2906253.988 2148853.711 2013400.889 2246660.604 3853352.603 3105406.606 4041043.998 3083242.234 2441470.556 2744681.208 2722111.369 2630173.586 2548271.013 2584680.95 2643625.823 2577235.279 2568983.716 294.9081116 173659.2989 179722.2085 402.5702443 155138.2765 167569.8926 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature2 17994432.1 18518517.12 15048800.66 19465826.48 15039316.29 16598421.94 19033818.23 17361852.91 15332426.76 18892478.94 19161572.37 16030158.05 16831665.07 15534172.2 17961576.09 16854498.29 18172015.95 11471232.07 12486396.08 15227484.3 18442956.07 11947505.58 14057826.67 16142695.07 11422036.85 13886087.22 14470612.91 15370231.71 18072400.9 17745328.77 15824232.42 10362402.1 16349372.86 12707205.43 9819697.564 16395109.41 14806088.42 13825401.27 16036543.26 15234987.15 14378164.18 17006868.26 14321150.42 13433553.64 14570826.98 17244988.51 12912232.93 12958573.96 14516343.19 22605819.75 20062918.04 15182769.14 19392302.83 16477623.54 16220401.65 16483002.93 15828369.34 15655092.28 16206675.76 16201520.86 15996143.93 16296726.54 7995.624586 186668.683 193361.7213 10807.71885 171850.1117 182054.0737 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature1 187180.0248 199836.3211 151672.2098 110653.5716 115327.3063 109135.2935 100315.8223 29405.81691 77729.25381 135105.6192 124463.8888 95855.66832 115900.8161 101705.9479 132032.0043 116903.6899 165463.0337 135012.1275 73258.5374 40620.89696 156475.338 90130.74179 89528.53803 100880.3641 83384.16612 94751.462 130391.5686 68971.90927 151448.8894 143786.6405 54044.19919 94500.73178 56162.55215 169891.5683 136792.0197 100496.9948 83250.28582 67305.09164 63117.87841 39285.0711 70471.93259 134358.2502 91158.90074 129544.003 158782.7771 45392.10831 33696.53509 60558.20777 46915.08741 194396.6974 112843.8822 195031.3395 103805.138 178289.4269 201830.1334 168333.6662 137825.6661 114980.3053 116018.4421 107806.5327 112154.7211 111034.9557 421.552532 574.9273229 559.947149 461.8890576 632.3941692 641.8286238 HexCer(d40:1)>HexCer(d18:1_22:0)_feature1 364529.4698 431858.8846 276908.1628 391008.3113 247908.2602 340611.7377 605312.8385 350139.4115 428331.145 463981.0092 369051.8672 437949.3256 375120.8653 373563.1459 425674.3217 383718.2476 399425.1022 452755.5832 478178.7542 388722.2433 398726.271 569056.6348 260382.0684 459547.852 399644.8455 471820.7345 430544.8489 539071.1759 379905.2964 611782.0643 368620.5939 359809.8984 560436.4704 376083.8965 208703.2627 532254.5077 291011.8575 495631.3293 353171.2331 373104.4691 224953.073 468475.128 239607.3461 519387.093 477481.4802 415210.6492 406040.2189 227155.5098 243769.4495 536468.0148 561521.6604 555080.8029 365205.4757 344298.8404 322629.0591 312882.6273 300365.1962 305403.7951 301604.855 297201.6941 315729.2549 314347.5972 572.9661925 773.993732 687.5369798 587.2542639 837.427491 685.91796 HexCer(d40:1)>HexCer(d18:1_22:0)_feature2 5491835.02 6405385.166 4080917.793 7116642.828 3746885.011 5697781.699 8943774.923 6705684.016 6061812.05 6985444.95 6886912.944 5422253.654 6048098.819 5878257.176 6887748.45 6061489.832 5641887.132 6346070.908 8408525.687 6305355.614 5645896.701 8506500.754 4086157.903 6123906.063 6447776.748 6416624.527 5623555.306 6761180.881 5962017.763 8828594.019 6093301.581 5953784.023 9182025.703 6452623.473 4061352.554 8234366.4 4036798.894 6783105.156 5890442.738 6491931.101 4407212.225 7443056.024 4135066.98 8330013.816 8007771.375 8144966.27 6034013.139 4005859.113 4950063.334 7494832.43 7104218.306 7544700.904 5513869.832 4463785.043 4062088.16 4323977.838 3967690.716 4184769.706 4425576.345 3981592.565 4168372.991 4217460.168 1525.658989 34586.10155 31265.30639 1686.387033 36561.26317 35451.97852 HexCer(d38:2)>HexCer(d18:2/20:0)_feature1 393154.1236 341471.0733 337755.4818 494408.8664 320735.4081 479786.2506 778227.9162 503887.8074 626416.9588 642471.312 467280.6067 568416.2436 499117.7646 501151.0982 545373.8274 464954.9321 489762.3556 516031.8864 687188.0629 535357.3904 531434.9375 651566.0544 349673.6129 553285.6377 526948.7733 591506.4261 498759.6172 517654.0596 449609.3895 768529.1588 543810.8368 488516.1632 691002.31 441744.0604 232956.9032 699363.6898 398694.7033 635668.1681 519403.184 534049.1152 309930.6285 560537.3368 316886.9318 554834.7389 520667.7893 600409.8606 572472.9218 362579.8639 364303.5994 706028.6407 777633.5863 671003.5144 555118.9099 429180.0338 401146.0341 394147.6662 390041.8984 378342.1819 372387.3872 385480.81 406827.7956 408609.7737 474.7663429 1179.7777 1041.265468 510.1307631 1103.232417 1115.865237 HexCer(d38:1-OH)>HexCer(d18:1/20:0-OH)_feature1 1418734.007 1496050.467 1244123.151 1621114.624 1170055.229 1595951.827 1549222.775 1767771.921 1340685.596 1592611.394 1803134.501 1215507.754 1377210.308 1280255.113 1518090.855 1288111.554 1495235.267 1509327.857 1569407.283 1267522.013 1437685.2 1715469.438 1156548.212 1433510.747 1369139.587 1129012.751 1169992.51 1548825.57 1518949.73 1749215.241 1451835.791 1219699.11 1507920.672 1634190.86 1189930.059 1682126.306 1075726.997 1394395.057 1254403.011 1354332.311 951205.8547 1643126.782 1175171.175 1507934.285 1648376.474 1379765.433 1118360.556 1071988.207 1066942.261 2838878.71 2411532.295 3050897.803 1990554.87 1278171.193 1484684.214 1493765.696 1346182.771 1428709.483 1392966.546 1400298.632 1464330.692 1511294.99 840.0640509 1074.926736 1105.634524 835.1652326 1196.850307 1216.15912 HexCer(d38:1)>HexCer(d18:1/20:0)_feature1 5801517.949 7242941.111 4176835.609 8071608.633 4573501.058 6622709.08 9830014.603 7140488.851 7366489.391 7992088.184 7364253.679 5998406.574 6535503.17 6052091.304 7098518.121 5795263.952 5700783.511 7056960.663 9211278.7 6067633.898 6164427.156 9655812.064 4412493.131 6914941.6 7015613.056 6477151.226 5855807.034 8342511.613 6669173.437 10051871.94 7020755.475 6618721.238 9243769.407 6986620.857 4272807.533 9686479.978 4543614.297 8075595.393 5924188.248 6989525.348 4673906.875 7923901.896 4106515.438 8117930.171 8222885.365 8521054.689 6748112.77 4146086.117 4654256.441 9643923.115 9825567.732 10177703.47 6885514.079 5151706.755 5222246.75 5268645.849 4906874.842 5201521.984 5183808.572 4886187.367 5275131.591 5531948.947 1569.426118 3157.595129 1922.524318 1804.061101 3223.34524 2936.75227 HexCer(d36:2)>HexCer(d18:2/18:0)_feature1 468390.8846 750593.9481 394738.0312 707334.0426 494628.9143 691729.4218 1144423.895 760774.7789 919007.3421 888766.9275 703145.3979 849846.0147 569081.7005 765222.8679 867604.3431 702604.0339 736724.7453 845522.6851 1038378.161 837133.7743 755244.3477 1007048.217 588198.6416 695558.8213 797160.3027 773628.171 728924.3837 890871.0927 606436.8719 1275219.824 830887.1058 811793.2424 1205578.795 727465.4803 383614.1614 1097865.656 463593.2185 940683.3044 583725.7454 852548.8486 376756.0642 826052.9951 515523.8869 894751.4458 831773.4321 888485.7907 924637.4093 582255.8148 558113.3187 842959.5238 850768.3811 721845.4941 441076.6082 627436.0086 548419.6148 582854.323 578014.9126 480099.1976 597775.2034 581342.033 587040.1496 459397.2872 514.4584568 548.4148908 526.2071237 559.2370866 549.257233 551.2685813 HexCer(d36:1)>HexCer(d18:1/18:0)_feature1 5432867.829 6846397.403 4533357.804 7576170.082 4294998.834 6584139.118 9322016.509 6973016.912 7428286.39 7521106.531 7739436.103 6414791.495 6892863.679 6345492.177 7379834.66 6182785.473 5569187.487 7474249.966 9374853.668 6651625.54 5605609.04 10084968.87 4491451.704 6750595.409 6499742.108 7594381.727 6409094.994 7878240.671 6528314.9 9922825.501 7377702.802 6726783.897 11224776.92 6844902.651 4322361.917 10119972.82 4773390.692 8165816.2 5527224.565 8372848.644 4930782.884 8231224.133 4531372.212 8516587.171 8173131.181 8281951.231 7398009.231 3849348.535 5247799.64 7577042.552 8101686.43 7566447.098 4604568.116 4909788.266 5026188.163 5283097.926 4913101.189 5037979.554 5100306.293 4765382.141 5573334.396 5275087.095 1530.067662 1498.303811 1492.138212 1418.965807 2245.709959 2275.102627 HexCer(d34:1)>HexCer(d18:1/16:0)_feature1 204834.5361 271381.1601 163814.5629 276061.4712 187913.3894 265170.451 496292.7047 363250.6609 327610.0695 295576.7474 303384.6928 324926.85 292873.504 304034.5465 364722.6519 256898.9197 233108.1517 303695.3171 521863.0352 400848.3105 269793.2158 585546.5101 173834.2389 372419.5688 311451.7488 308423.2577 285002.0307 332192.5137 267168.7337 563177.3987 262840.8759 316784.584 604100.7338 269276.9073 185386.2797 539987.6609 227234.6242 385657.0385 272436.1754 416450.2744 221681.8076 456952.1931 203286.1767 388763.1432 438687.0395 479246.8387 373046.5553 188012.807 236080.7974 252812.993 291945.9903 313632.5246 210065.9004 254939.3079 189195.6121 221045.0438 199089.118 180038.6783 204671.8466 214365.9344 189943.7213 219797.5741 578.0977454 554.0682844 550.4568048 592.7905965 605.8302424 655.2040114 Hex2Cer(d42:2)>Hex2Cer(d18:1/24:1)_feature1 442058.7488 532997.7861 332891.7958 556065.9962 293095.1977 440675.9301 674667.8818 488591.7123 566168.6276 542117.9187 481242.961 491570.0812 506321.5642 493947.1402 539592.724 461265.2832 489564.5716 508514.2169 600473.6444 531701.0193 413739.3261 576427.7414 365288.1104 509176.2801 448928.5794 530734.8228 448117.8661 535068.9683 457521.3443 608627.1352 444051.2642 443044.2534 664216.7226 416042.435 267852.3995 491303.8261 309157.6826 562714.4554 398559.6749 458913.621 308016.3471 550958.548 323690.5975 548178.2037 560419.0007 474672.5384 470505.1183 274905.5906 335820.9995 561964.9958 661838.9397 626126.3216 442139.0896 351013.554 371546.735 354343.3919 315336.8063 330185.9983 343312.1046 335014.8831 345071.5084 327710.9709 522.1500604 650.4605375 806.3080245 491.5677795 795.5373156 906.4433624 Hex2Cer(d42:1)>Hex2Cer(d18:1/24:0)_feature1 221091.7627 287451.3889 164710.341 298377.1412 177227.8228 222505.6159 379813.587 237865.8712 251329.762 288251.7077 242241.3584 255893.8824 262905.0035 230944.1228 266154.3375 273171.8865 262038.3718 266845.4487 280035.6267 264726.9108 251966.9835 274909.0002 158614.0901 227689.6767 217073.0863 230778.3364 241725.7114 184393.858 255891.4731 291114.1938 214749.8468 207057.8604 289061.107 259348.4295 126216.2208 268216.441 147109.1804 237211.6915 212572.5075 219531.5892 164805.5288 271946.5242 166925.1538 317303.8373 306173.9568 246481.6217 201329.2893 144539.5855 153881.9857 257070.7968 184575.6128 326135.5985 223138.9204 187181.2026 164434.0061 173004.9693 175735.5358 169799.3446 166817.6072 156848.4476 163500.6394 153867.7419 540.6422081 976.1836943 1016.127681 612.8079984 1354.835148 1256.232234 Eucramide Dimer_feature1 53701.40374 27954.51928 55005.83748 136634.1276 26281.4037 229162.0211 45136.59609 101747.9057 62259.92467 74066.9933 42267.90912 114577.7826 76843.55065 63588.22197 99613.09219 84451.39441 52839.4417 42256.07049 76620.27419 72344.21647 167266.3153 98251.11749 111466.743 79338.06484 49362.61709 60778.20329 45749.28059 142182.5823 207906.6827 114799.4485 87396.45443 63280.58626 83821.54682 64934.91115 53408.84177 102013.5736 24490.05071 58710.03286 53772.72527 51677.97319 108101.384 50390.40916 57852.27363 124078.5238 75708.93726 59429.88934 72681.54407 34394.45271 65504.1681 55356931.66 66238468.4 41830680.15 62704383.18 391202.5199 382862.7782 404022.7993 406449.0686 391673.0584 405542.5992 402137.7854 395637.6082 418842.4796 37940.64981 123655.9349 127924.9523 42545.94779 116293.7051 123337.4996 EA(22:0)_feature1 343714.184 389925.535 301679.6044 439462.2052 766077.3926 153775.2474 388905.845 84865.03208 120110.6686 346958.5242 334216.8222 270694.9476 476229.4205 207499.9464 574584.0466 231157.7513 436576.567 250600.7403 327307.299 145523.6092 86171.6264 113398.4737 167126.648 664782.0978 440226.6559 146545.2332 823165.4111 394804.8707 191128.5661 264501.348 541103.1423 496698.2603 195291.8005 349684.7729 419031.9097 446267.201 141769.5495 484480.42 502349.6094 97268.55728 482239.3282 652338.3516 89953.38353 488247.023 67666.42714 331634.9856 417341.4093 213272.6178 396980.0976 12907.00462 14339.91392 9971.817888 9339.760996 269349.5019 264319.2927 253117.2364 248910.1465 252239.1608 254030.4783 253487.5004 264627.421 256132.5719 427.7376363 558.4876689 532.9107884 591.307105 742.5397171 784.8612734 EA(20:0)_feature1 3144434.496 4282326.206 2910486.579 4356018.274 4849402.911 1719790.062 2550026.518 1483097.12 1355187.516 2377465.649 2662850.86 2163765.556 3388966.652 2401597.761 3590681.68 2605531.676 3251124.109 2212429.142 3207081.301 2067372.989 924939.0186 1676026.093 1627707.491 3781638.877 2890533.542 1956383.244 4867892.132 4021268.087 1713896.249 2482046.779 5349106.693 2933959.059 2027449.256 3967663.927 3188476.453 2913974.302 3250554.689 3861167.514 6623706.494 1213969.064 3366803.761 3732996.989 1197521.603 3917258.312 1231332.707 4346708.328 3010751.776 1792715.344 2783478.084 628318.8147 641677.4417 97069618.96 667615.2158 2560082.711 2384406.701 2714595.905 2223507.924 2645282.36 2954394.516 2547843.21 2518669.498 2069503.666 1291607.351 726067.0744 2250969.998 1560396.446 676000.3511 805977.1545 EA(18:0)_feature1 99249.10515 99492.60727 108889.0397 82474.27782 161355.4714 73658.31674 121330.6868 121423.9178 130840.0445 107972.3751 189538.6635 350256.953 151986.2093 113896.2218 101597.2667 147704.3232 161300.3171 118235.5395 127550.1651 126103.2012 84394.10718 123464.0123 94155.11264 159765.1955 137931.4314 121518.7466 146131.4484 96325.36709 83434.2272 120912.948 169524.7983 106294.6496 105439.2775 129965.9392 155951.1128 99648.67581 110795.6245 139177.6961 118270.6937 97875.34933 76462.38062 84348.7447 38778.43761 137953.2469 48783.05923 118796.4051 92255.10675 186595.397 153123.0405 10954.33268 11805.77239 9558.450441 18865.25313 109960.6244 107779.0909 119289.3163 106946.0575 101419.7286 107767.1489 102220.3116 104667.6803 92727.95164 2349.224387 1628.102882 1785.871999 2293.351366 2086.280983 1655.486234 EA(17:0)_feature1 141755.846 114870.8789 21609.87817 401930.5434 176339.5132 8876.797864 63819.28138 143928.2535 103711.5208 85969.39804 84246.8335 94898.80897 123144.0166 216319.5564 49900.25695 246391.4535 104707.5243 105373.814 288977.2996 211336.8233 175783.7699 131764.2762 54419.95632 60749.16385 52848.88997 167656.365 123092.4946 641268.6065 44261.13806 65399.36973 436974.5665 61479.55814 124181.4486 551013.8897 17209.15372 45748.57457 130977.2544 233682.3641 29341.99586 95423.52675 42946.36191 71820.40706 135558.1271 336118.6449 48774.23991 145760.2242 16441.44639 149212.0413 11970.84651 818.3816624 5022.974613 702.5696286 3261.145555 158588.0132 128230.6646 19381.47279 16649.17552 15808.7274 132989.3068 144485.4203 142012.3151 144807.782 225.9526197 112.0841025 223.4990321 309.3719928 263.1395295 192.8349145 EA(15:0)_feature1 312928.948 230977.6858 299934.4492 695087.0353 375188.049 144883.474 126825.4577 187212.8117 160752.6547 134906.2982 144366.908 161082.6901 215060.2236 359438.769 145064.0358 458479.7157 264908.4717 173177.1656 448861.5546 407096.6634 258456.3187 154743.2011 82235.71684 144022.4344 135031.0226 277553.4567 288653.4805 790977.6403 71161.52239 131909.1256 821799.0093 127204.3933 230464.4895 700116.1712 301150.388 119565.1766 190859.2679 395696.344 649892.7765 189828.5811 173836.3183 154394.074 230360.6927 459911.15 72921.99209 266843.0971 288113.0041 261096.7461 253702.4516 2857.484987 3000.414248 1157.778574 1591.157082 282854.4451 300469.6698 305118.967 312321.4692 319366.5471 316535.2616 323338.3526 332595.2602 328836.5489 871.0792307 513.3172562 479.6490975 959.6300693 866.5111773 532.0126714 DG(40:7)>DG(18:1_22:6_0:0)_M+NH3_feature3 75232.06354 66460.6516 90124.63567 71645.42498 95883.044 97592.52311 90063.75631 90366.14643 79729.96578 87049.55407 69430.57784 68629.01013 70147.80461 109183.6478 71835.28913 69072.62889 152363.6048 47218.09058 89522.49967 91507.6796 111977.1712 85300.00523 64693.86047 68293.4011 72393.30684 86681.12583 70516.81483 228583.472 92078.1408 63837.81271 78752.54876 75449.36625 56368.03558 119114.7972 67379.03052 70530.94107 72149.05594 43254.13905 112459.8893 126332.8728 112057.4402 44636.3217 102662.9437 88495.58785 87642.90053 98851.56657 51474.43581 90299.87032 97090.28165 134908.6655 165930.062 79190.79634 155202.4269 83544.06734 114160.8002 102129.9084 110974.6182 119666.1644 107856.5666 93687.03327 104819.0843 118934.2919 297.8821161 435.9287921 334.9726999 314.0285229 327.6657904 394.0952535 DG(40:6)>DG(18:0_22:6_0:0)_feature6 377807.9409 479360.5862 284382.98 508896.1044 353839.1165 360862.0607 730775.6635 316220.5878 551447.7446 610834.1891 521182.3288 858774.6873 436689.4276 693017.4003 536828.3215 526574.0064 680149.491 476298.0472 634528.9084 424189.7826 638348.5451 652986.058 439081.6742 560383.1923 514119.5615 608475.6082 507846.5317 823501.6242 450015.4471 561394.4122 538378.7028 527384.063 541353.4679 516178.2034 287911.9938 609121.7951 411762.0449 853960.5608 605179.5629 555321.803 397265.5944 499555.0354 391722.306 774055.5983 625560.5681 533367.5616 641891.4032 457066.1726 458668.0303 580835.5958 643519.2856 497697.4844 504811.6537 367939.6941 379218.1772 355782.4204 310113.451 304500.9605 340524.9018 328849.3332 336989.515 323462.7349 586.9929999 1043.826519 984.7399846 611.8438798 1159.974507 1157.529328 DG(40:4)_feature2 231901.7227 263341.526 198505.9264 248849.8369 185914.7312 216243.4033 437732.1029 206602.5153 300524.9757 317557.0454 251226.4015 393687.2294 245245.0194 322676.6036 293521.4042 288202.7686 322491.6442 200395.891 301077.5551 273948.6239 313253.1316 355146.9509 160514.1497 306417.5079 228983.2401 320183.1469 220133.2358 465502.2341 200167.3123 305702.5964 250641.3195 269565.6795 330707.3283 232930.1249 108811.0481 324342.8109 145958.0046 409658.6506 320316.301 326094.4016 162227.787 187403.8166 157199.8273 322987.4044 307730.495 277971.2713 293412.4871 176625.9623 195564.866 411592.2311 518988.6363 272513.1492 276656.1023 164476.6175 151051.6873 140668.0804 147111.3059 135908.6545 120962.5761 134343.8426 135826.6879 141662.2851 842.4682731 3088.146021 2058.368924 981.6546688 2448.944061 2722.862912 DG(38:5)>DG(18:1_20:4_0:0)_feature2 231895.1541 293376.435 322514.0274 192934.5823 369228.8804 336238.0549 346493.4679 343487.7433 355111.1527 284572.7668 266528.5008 309524.6777 291346.3567 360350.0865 249196.4848 290491.0915 560634.71 201708.4975 329756.988 388342.7828 587698.2177 300111.4397 256825.3376 236892.9149 252545.0944 245464.6743 246284.901 613061.0549 254629.0786 227954.2237 224518.4332 202007.2396 224922.3599 403302.7457 293885.8965 264917.2995 270108.9461 309447.2499 401021.583 335903.2338 299135.2948 211362.1058 266766.9319 294670.6078 308073.81 347850.8976 254392.0914 332928.9929 272728.0399 500940.9995 592048.3949 262894.852 544660.085 355820.0098 368478.4025 373204.7752 376762.9674 394729.1314 379272.6352 370059.8381 369936.3779 377255.0359 431.3785247 1578.660882 1320.679033 458.361661 909.8060184 1486.357127 DG(38:4)>DG(18:0_20:4_0:0)_feature6 5988064.374 9555008.991 7803997.718 7311833.424 8627126.707 7926963.007 10067040.32 6292482.985 10312725.17 10782436.09 10396527.27 15454452.21 8432099.07 12143333 10245144.69 11149175.64 14455841 7290984.213 9200469.915 8684484.764 14787735.95 10161579.45 8847008.367 11401213.23 9678156.887 10103420.94 9504221.654 15148243.01 8458537.353 8784886.383 8746964.966 8752588.685 8095721.797 11237599.5 7642524.407 9606715.111 8141031.242 11202925.27 12321597.79 8293022.984 10181439.14 8009945.553 8367560.28 10229705.28 8855910.314 9562023.499 10060393.66 9110191.871 8672860.007 9327561.037 10669151.32 6843937.652 9985286.093 9974543.984 9044650.196 8486548.552 8068402.927 8577041.733 8444169.336 8552748.753 8538193.121 8391805.276 946.1980915 4502.836574 4757.930419 1143.193183 4824.424713 4873.125839 DG(38:4)>DG(16:0_22:4_0:0)_feature4 179258.6967 193434.3961 197290.7293 216806.9883 147863.5879 191392.9487 296530.0534 193664.3729 248270.9334 236305.5528 198532.9882 257330.1639 168426.695 237906.2482 154969.7615 203967.322 243033.2542 171518.4566 212693.4383 204713.4899 314700.1552 271467.1471 128286.3368 237228.5446 198065.1285 251652.975 132259.0707 379849.5969 137220.7799 254535.6651 237919.7251 205487.3828 224823.36 274076.7969 127442.4019 231909.6985 167208.5917 314890.7057 185223.7702 250524.2239 190099.7396 179387.5134 176943.4959 256245.3579 240631.1838 221357.4574 237169.2439 227293.3463 199236.3767 300861.6169 380136.3733 203763.49 255545.9986 165403.1964 182402.133 183860.3339 170688.3685 154810.7282 177374.9647 179667.6151 180809.4198 177945.5902 545.4639852 1639.042619 976.7898519 559.8332204 1068.97585 1091.535793 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 1080156.491 1489238.572 1400501.524 1230802.622 1508626.966 1480672.621 1862581.762 1386578.156 1805481.92 1763468.602 1487435.779 2054442.882 1385843.275 1875883.822 1633515.219 1594287.317 2564558.893 1215137.389 1778756.963 1636403.894 2516876.059 1873063.923 1298144.152 1621822.009 1452565.447 1519856.599 1488039.481 2758143.563 1380983.183 1564351.904 1393646.735 1336591.347 1441664.565 1902548.667 1229051.736 1650647.821 1223975.388 1941509.83 2039794.559 1618167.634 1529521.233 1366804.718 1237105.461 1842004.053 1732988.343 1750073.213 1624542.745 1517905.247 1432636.939 1990513.899 2321253.396 1377506.802 1978232.327 1652591.728 1609558.88 1557735.286 1531823.893 1616812.392 1609449.953 1542411.143 1621141.505 1565523.368 222.6149149 257.2262664 291.7540183 226.2072884 305.1385461 330.3052383 DG(36:1)>DG(18:0_18:1_0:0)_feature2 806427.6904 765743.6273 504534.9602 759781.2404 469605.6151 564905.9717 1280187.985 581399.5897 888799.0294 1034759.961 751963.7686 986487.6051 768035.5869 933153.4558 981933.4385 752532.7458 854302.5917 711832.4421 945260.9306 736522.9157 844710.0125 1082336.607 473483.3165 914545.0262 569565.2851 927923.5381 663059.4292 1463591.115 530544.7838 937877.8601 795524.8864 684543.6916 940605.8505 469673.2887 260775.8393 794635.9373 376689.9559 1019419.952 846307.7009 1006698.676 406772.5121 479749.0623 435581.0978 1021273.343 938661.637 772240.0912 906894.9591 567773.4641 501327.7535 1389476.149 1650151.842 859083.3872 789469.6525 424486.9204 400850.7609 370432.1634 394588.9032 416354.0966 390366.2823 378068.4047 383489.7577 418316.0367 925.7763849 45822.88606 49108.90866 987.7669158 46952.42304 46204.15007 DG(35:4)_feature1 1124055.751 1542711.546 1481508.676 1286157.101 1594070.181 1556605.651 1934402.29 1446432.162 1881944.761 1830274.531 1556373.811 2149436.288 1441637.203 1954569.976 1699579.644 1653119.299 2682129.734 1266000.56 1849125.721 1704053.42 2627197.615 1939612.634 1360688.152 1692055.767 1511375.402 1578742.453 1547803.308 2876913.75 1438913.396 1623992.034 1447684.889 1393677.175 1482413.226 1983422.197 1316436.362 1711914.346 1279993.943 2024667.664 2138915.519 1680720.55 1609664.274 1420565.066 1302973.309 1921331.418 1805102.005 1827925.462 1680679.117 1591629.211 1495359.088 2071502.004 2420715.199 1428659.132 2066085.289 1726625.473 1687226.511 1633894.229 1614671.069 1694449.576 1688780.847 1616578.544 1694290.942 1644848.283 668.715039 1499.563445 1515.200631 705.4561812 1400.989396 1407.291092 DG(34:1)>DG(16:0_18:1_0:0) _feature2 978365.4788 1043386.078 852938.2115 1127378.605 875759.4238 809344.6168 1295875.259 721925.4667 1039135.575 1291975.134 1113158.277 1308984.197 914161.1762 1160269.907 1194423.967 1000120.491 1345735.262 918866.778 1101188.442 863790.4808 1290441.174 1264328.864 886123.9147 1289044.941 946236.1398 1255671.137 1113532.871 1602297.47 851645.0048 1126367.811 1200481.121 1122293.601 977909.8425 931854.6481 547450.3372 1059030.437 874146.7512 1293481.435 1212614.096 1208311.428 902953.8158 782802.7344 851831.0725 1610332.35 1134436.02 973165.8846 1171652.548 1016075.305 1072291.916 1357459.479 1521722.578 987423.2929 1094167.221 877161.7424 810391.2248 757879.9653 769853.3085 780540.0955 825994.9771 800513.9544 787531.0911 753995.3732 903.1615573 223689.8914 228804.7196 1748.358812 220685.1582 219877.5114 DG(34:0)>DG(16:0_18:0_0:0)_feature2 1652115.165 1873452.924 1338874.887 2147020.1 1613017.246 1415914.641 1640659.505 1109579.353 1809789.356 2167412.741 2355985.039 1967127.355 1674072.983 1667266.309 2027589.291 1966779.583 1942435.099 1982580.686 1607549.578 1365032.832 1605889.579 1984147.617 1805892.95 2058005.98 1966616.713 1852026.867 1953869.865 2623824.488 1978726.348 1735761.295 1747754.151 2100187.906 1565380.557 2229489.3 1455045.107 1914848.232 1365147.525 2243140.198 1759049.404 1820838.598 1866367.576 1869599.942 1573267.374 2427052.457 1821796.198 1657136.826 1724838.812 1811403.263 1730888.987 658466.1484 771435.7104 645327.5277 561154.9782 1058502.81 1066244.086 990648.6551 1072559.491 1112567.454 1040598.689 981091.8478 1027678.358 1092263.77 10069.42451 25519.56607 25278.51298 11244.6989 23452.10257 22428.86126 DG(32:0)>DG(16:0_16:0_0:0)_feature2 702056.7341 743878.7412 590409.4477 934640.0195 643525.3202 561524.0951 662140.3876 472919.163 687526.5386 969254.3753 819605.2667 748814.7057 592358.6747 682551.9216 974085.608 679828.8825 711920.7255 726045.1313 608422.582 524862.0867 725117.0387 702319.8342 867686.2023 820600.2123 712600.3251 682790.6789 823231.3317 764406.2647 800678.4282 683991.3991 707900.4836 827917.7192 507495.408 1045325.359 644810.6538 707044.7522 698199.3897 758640.7015 665853.359 634701.9669 785523.5133 659613.6614 772686.3871 1048624.271 656102.4487 645328.4535 632578.6361 854536.1924 862136.396 302764.265 360876.739 308965.6101 282787.9787 553631.9639 528200.2004 506625.0485 487554.4121 514776.4406 504139.9509 534233.8679 587855.0532 505726.5694 2796.471757 43387.64639 44541.62917 5123.580134 43476.95198 45176.05704 Coenzyme(Q9)_feature1 2535139.111 2040154.425 1930190.604 2772413.341 1884653.637 1632738.489 2844716.487 2451325.717 2919258.928 2001794.667 2272382.544 2304293.147 2000023.753 2740900.579 1943823.481 1869478.169 5175325.484 2344667.095 3839208.981 2612532.368 5564567.063 3494907.949 2830742.624 3272019.486 3118890.195 2451964.159 2763897.135 9761509.596 1975965.434 3679370.582 4015675.38 3137255.842 3375386.644 5752065.874 2062432.14 2753570.922 3539154.295 3183902.379 2196309.729 3493092.931 3702243.447 1952369.262 3750966.749 3827968.027 3555332.3 3522037.234 4074078.392 4338130.52 4857788.414 4170906.316 5473405.273 2963118.645 5172569.303 2912321.794 2905345.86 2913317.761 2863575.02 2798376.729 2835092.809 2760994.753 2811754.39 2733028.056 1132.107482 1720.807435 1701.969673 1246.71026 2569.803572 2111.941647 Coenzyme Q10_feature1 1477266.624 1364533.161 1384440.002 1833504.891 1195251.122 1045717.469 1674807.286 1555237.126 1838273.212 1394394.782 1468266.135 1513050.956 1211938.335 1617955.912 1237780.385 1183821.758 3245087.537 1405117.321 2450928.501 1567231.899 3482610.14 2149246.946 1652473.061 1876281.578 1814955.288 1504450.217 1715540.989 5755033.693 1155920.473 2299704.11 2552975.056 2046787.537 1972976.535 3758825.675 1127610.855 1630749.636 2211426.983 1727426.575 1347521.917 1967383.02 2213410.423 1222613.502 2408451.903 2256125.08 2123899.092 2261888.374 2483395.142 2595769.394 3066797.911 2704255.041 3418279.141 1759446.259 3414864.952 1809818.696 1925723.943 1931615.588 1871079.502 1796741.968 1870199.309 1827009.683 1856640.439 1777044.098 1233.71083 1430.289139 1490.369736 1288.524895 1773.812526 1796.533195 cholesterol M - H2O_feature1 1484546.01 1165947.442 1320881.842 1283924.997 1612217.905 1943305.927 1408411.126 1811146.281 1738759.795 835962.4927 1940516.011 1080939.165 1243939.886 1580403.91 1156449.822 1496231.173 2064471.312 1349437.821 1167330.584 2120880.311 1828470.761 1197486.487 1490757.056 1259857.579 1948901.778 1466987.501 1775932.547 2359066.654 1123560.977 1628246.219 1300689.002 1344893.603 1632692.944 1357779.578 1164050.36 1373272.52 1334660.488 1195522.461 1561357.848 787003.4179 1727877.547 1278762 1303819.193 803598.7924 1200471.643 2240221.453 1232194.969 1318612.93 2109605.591 1493960.273 1907713.317 1435901.701 2226469.437 1688555.351 1693744.709 1281313.605 1575142.551 1631172.876 1544600.509 1698026.46 1288910.245 1865855.834 1629.788171 1435.061585 1558.806635 1877.598214 1992.40381 2186.373379 Cer(d44:2)>Cer(d18:1/26:1)_feature1 38636.90734 67153.80889 24902.20671 67445.32325 28841.47976 42022.67961 80878.45057 44761.34345 63978.95698 69493.06334 49275.56752 79719.67949 55932.10952 44027.63814 56358.28862 52043.00172 69460.67403 49331.64492 72174.07951 44476.32842 66982.98026 79311.16211 41104.89993 60967.08084 49301.01061 61554.33058 49230.10574 53328.30196 48546.02692 91277.74308 58813.93677 40775.61547 62277.14054 71687.07999 20200.54486 78892.70127 39663.06458 71944.91711 55634.68943 50488.68861 38292.03821 44173.1624 42564.66331 120967.8312 81597.41726 74163.93388 51320.75798 35717.8554 42485.27971 72492.65569 52024.88504 69924.04962 38653.6658 26562.81564 17654.7931 22055.37744 24251.12126 18342.23119 21095.91348 25840.60331 30667.66363 23728.63656 1569.178657 3079.206362 3143.25718 1561.91151 3694.508429 3779.796859 Cer(d43:2)>Cer(d18:1/25:1)_feature1 136464.6449 162825.4241 54421.01619 182103.5469 92907.49912 133004.6588 137610.8317 127032.0588 174487.8401 196344.9374 146495.3462 188305.0766 156466.5909 160719.8734 160871.206 149393.8206 194479.5647 170204.354 175844.9428 142701.4986 163455.0987 127384.3504 111002.5148 151304.7317 152397.6134 141335.7909 156972.6782 135243.5318 129286.8339 201621.2055 140624.9507 78018.87229 177933.0984 158586.3616 62774.93519 174943.5125 69621.44336 153921.6908 133912.7997 121509.4567 87982.16607 173122.0449 92897.11955 267814.788 242011.9606 125379.5637 130437.7425 87062.34365 98125.62685 161523.0522 122615.7691 185010.1156 120868.8038 82760.97273 69524.32047 89615.04191 85260.71364 59630.86979 66159.09962 63555.30571 62401.66327 71991.42812 1248.613734 2497.822007 2543.627832 1252.84839 3636.767909 3539.271106 Cer(d43:1)>Cer(d18:1/25:0)_feature2 49123.68615 67512.2026 31465.22456 79952.74532 31909.98216 38208.08357 107118.0087 43873.06567 75717.00305 71367.40336 68791.87061 95542.00127 53465.07535 63408.44557 80767.98628 51589.80366 74939.65171 63757.39962 86564.24557 56450.00935 64694.4069 88977.9244 42575.82711 84730.3114 55369.26171 68163.86061 58002.57786 51883.23923 46892.62467 106428.3889 69784.71201 60083.59152 75245.58149 64810.38242 19052.07549 89011.68453 41972.71466 92137.95568 48522.79772 60619.7342 46107.91887 66298.32005 42151.77691 181670.5844 105313.9203 62117.06848 66974.26766 39643.2508 50739.93645 62198.6839 60514.5871 65327.86104 39292.42169 36656.97629 34282.49695 38272.82313 33479.1309 39643.07238 37331.49153 36183.95674 36934.80803 36405.05743 1606.383654 2464.162776 2982.92159 1564.984535 3390.066591 3364.522935 Cer(d42:3)_feature1 462123.8159 557796.9899 402587.6318 546088.1387 367612.7949 493041.5573 648073.4551 533037.282 561224.1983 541149.0544 566191.5155 529506.8423 563749.2455 473507.1417 551393.2822 492197.3372 487361.0148 561903.4708 685310.1611 533113.3965 521392.4393 666713.8714 396810.7959 540142.4848 541393.9692 598860.5864 491053.1935 610177.9016 547789.2107 682669.6506 521149.7996 541793.888 637624.9738 524015.7824 341075.65 565748.985 431571.9149 553512.4551 511921.5452 555083.439 381672.6798 575081.0322 358179.5987 578001.9151 607675.2837 567863.5838 533594.6739 356929.632 398988.3861 679124.3889 664321.4961 648084.262 581618.4732 429392.3339 428232.7583 424367.0337 407188.138 418643.8554 415874.8185 404390.9008 438351.4238 386257.249 474.138928 770.9456644 672.1565154 501.1013914 707.0672333 769.0761047 Cer(d42:2-OH)>Cer(d18:1/24:1-OH) _feature1 272815.5244 300652.0018 223985.0386 330976.3033 219245.4731 253673.45 355620.6072 332137.2098 291916.776 279191.2685 333838.0755 277737.4707 288149.6937 275278.4477 298144.7398 274428.8453 255152.4307 334764.5076 375693.9574 310503.4514 290041.9155 362958.4498 211173.3056 276462.7451 312070.3195 291095.3729 292830.1445 319830.8204 276457.0413 344194.4466 341508.7252 280071.2862 376031.0311 281701.5552 175898.7197 291154.8105 240418.2994 274837.0631 287954.663 321029.8545 220633.7428 314179.1689 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83537.88797 127785.7312 137861.9439 99832.23551 137643.4958 89223.09652 92858.80445 189401.2866 258701.2949 100015.3853 160969.8362 98755.83118 100976.0504 106936.2195 113665.1418 120315.6279 102874.9146 113968.276 115982.5532 115691.8397 138.152285 5944.673256 5674.802746 146.3691248 5876.134128 5659.811056 Car(18:1-OH)_feature1 14379.18078 13438.47863 7373.70716 11338.27356 9434.007894 13309.47756 18635.98246 18742.37967 13179.92417 13196.81252 8352.637391 11749.70793 11250.45079 16098.79138 9143.765271 8956.80678 17881.03514 15653.79098 15374.63084 11686.44444 17435.81154 15087.78793 9897.979925 10312.42832 10990.20299 7346.324577 5985.256676 26273.8484 6435.214383 16988.96864 14418.07188 12746.65806 11275.35156 18673.15817 5910.816547 16803.14162 10518.38788 25593.7015 9812.372221 23982.56788 6981.177975 11797.66941 7115.842691 28961.71544 27844.23765 13606.50801 15066.26731 19327.96937 13204.81324 24330.12318 33509.81121 14571.50216 26400.13287 13067.91848 12729.58112 17197.26704 14506.01022 16319.25931 17453.17363 9533.365165 13484.89528 15471.6628 123.2768762 3125.332382 3035.451346 133.1795544 4202.697864 3693.971292 Car(18:1)_feature1 1860028.895 1900440.076 1974196.863 1990237.457 1677590.618 2347027.798 3005533.023 2846589.995 1955338.487 2012276.743 1573029.123 1713193.245 2326116.124 1732096.72 1628666.404 1965849.813 2792086.447 1917254.901 2724310.219 3019105.468 2913875.58 2736207.489 1393097.558 1868248.717 2067711.315 2185063.036 1613606.932 3493836.896 1344257.03 2689899.683 1770648.137 1713318.044 2824322.92 3147463.981 1261267.33 2283122.946 1700239.043 2172617.713 1834216.793 2110336.173 1112866.368 1910859.449 1297476.191 2140769.763 2639623.259 2413189.519 2526375.544 1726653.009 1684641.679 2774422.061 3549345.218 1827044.6 2815371.974 1954342.571 2023799.846 2103007.236 2140068.508 2149901.549 2228582.354 2244489.157 2239678.543 2259874.521 320.5245296 45184.20172 57547.81911 439.6522237 166179.0059 225473.6985 Car(18:0)_feature1 845907.8599 1000672.711 538708.0946 1119336.901 514878.2412 725993.2704 1634479.176 742508.262 1015953.733 1270550.517 1285717.122 1187944.891 1015777.909 1025555.321 1037066.774 909177.4018 870784.7418 1421250.989 1605241.256 1069346.641 891270.2384 1687661.361 724422.0216 1327190.802 931499.8356 1463762.997 1001333.955 1190660.177 649457.0551 1600601.963 1191106.87 1084208.832 1502939.197 829508.3384 352112.7844 1500006.88 746567.1197 2342484.61 751598.735 1642828.4 554544.7262 1103264.446 535133.9392 3217389.869 2343688.845 1088058.998 1537867.33 1162144.163 1011145.287 1038986.863 1125891.47 1075986.952 688663.8462 671400.1416 709888.0771 674578.5761 658489.1703 718920.8814 668460.8203 706875.326 712678.4534 715730.3895 14811.66516 25072.2612 36206.96534 1862.632908 19796.64696 24459.01488 Car(17:1)_feature1 24271.25966 25673.95044 28061.6857 26196.33602 20783.45726 40327.53085 48576.23536 50545.10473 25251.04657 28974.43045 21132.96619 23913.96763 33039.76543 24707.90813 25349.2156 33273.06626 41678.51936 31136.5239 39708.37147 53069.76556 43070.69342 36838.67456 18156.76524 25108.79607 29238.58908 31694.56183 21116.64665 50444.92628 20390.58111 46438.75453 26915.98137 24581.16987 48705.54462 43892.78549 15409.0213 32699.47596 23639.01373 27158.4379 25778.73273 32359.50253 13332.36941 26826.73236 17696.40252 15707.15295 34188.43658 36437.71931 33526.76037 16437.19023 19891.11022 43677.24023 56763.00304 30044.40455 50696.43986 28961.38702 31506.08879 29422.24648 31548.13585 30526.27972 32298.80258 32661.24093 33829.31962 34579.74498 148.1684889 4785.955443 4725.66375 153.7924511 5048.898539 4946.383989 Car(16:1)_feature1 628854.3396 678130.8163 684473.2079 642954.1868 603944.8935 855884.649 1269919.421 1110776.559 738448.7172 735397.4163 528934.6865 730958.6052 816955.5366 729987.2745 661340.6816 798645.635 1028567.988 790535.06 1031648.611 1159929.438 1024973.262 868913.227 525266.6897 681682.9154 755942.3311 832306.4174 614783.2895 1349291.476 522671.7815 1153706.814 647046.6806 681116.7697 1162021.018 1170261.316 458574.9981 865244.4102 645667.8846 690252.1245 663283.082 778965.7403 443231.3311 731248.9416 521697.8245 574233.2418 866141.4809 897411.6573 878754.3783 544577.9535 597178.9459 1018561.954 1332206.075 716674.8397 1108453.278 721986.7636 763279.0164 799848.8865 802168.3472 793594.2851 825541.6391 831912.4811 856858.6864 863471.4712 135.8151871 3329.247385 3232.362801 470.2702408 3263.982539 3276.49032 Car(16:0)_feature1 2528808.855 3434825.818 2340665.364 3983559.692 1955914.065 3161573.876 5550775.942 3121329.001 3288124.799 3794062.44 2968286.472 3304052.819 3616236.785 2807800.567 3447622.802 3442462.098 3339731.26 3309535.318 4691942.955 3773358.147 3480037.153 5098804.43 2267429.08 4343989.166 3613300.814 4041849.353 2990688.737 4197624.483 2201115.142 5604405.796 3422131.016 3220529.776 5929688.968 3387911.124 1563223.597 4880691.292 2301521.972 4133316.925 3058359.776 3150848.29 1685944.088 3562134.837 1737711.412 4254784.322 4268486.018 3563348.96 4542501.531 2060456.636 2182896.015 2734512.799 3337673.881 2703734.792 2366728.665 2316465.861 2363677.509 2423755.452 2332224.172 2356930.794 2437912.607 2448759.789 2480993.392 2519585.922 746.7778597 3792.136962 4120.709834 986.0434583 4346.981224 4109.689586 Car(14:1)_feature1 200490.008 218696.2934 198554.3271 196759.8735 181391.0688 243260.0366 519423.8538 413957.1468 264392.7273 238790.678 178230.3408 276603.1336 278952.3013 285916.6938 225888.6841 256148.9729 327226.8315 295992.0608 354402.8333 354971.8887 331459.3441 270291.2077 184031.9546 231570.9318 249661.9059 277089.1355 193962.5312 437667.1668 195648.7826 424429.6645 229501.9702 241078.2413 445497.7437 416869.9516 167307.8898 304192.6361 220088.9963 228688.7385 228593.1322 286738.1921 156423.3376 260594.6304 170401.2776 190025.1816 276779.955 303746.9711 293343.017 180349.294 198312.3836 352216.7842 461603.1504 234971.8331 381648.7551 238049.5214 256353.9603 263365.6397 273190.3789 275624.9297 278177.3975 293969.5473 284142.7177 296375.7477 833.7477546 2471.426333 2552.537742 1937.837361 2579.920432 2557.468615 Car(14:0)_feature1 683244.4416 779225.6127 680401.2048 727900.2545 542947.9207 848242.5025 1548134.04 1125976.952 886699.9914 831844.8326 633720.3274 902177.3471 929570.3116 825362.8488 807206.6881 893349.9302 1133447.882 904455.478 1211499.206 1146565.658 1100699.254 992856.2141 597848.2414 865596.6413 887183.7898 946987.3094 737121.9211 1304443.628 583209.0303 1326557.891 763609.0929 730741.2797 1496229.231 1193143.366 481780.2438 1019673.551 662338.8953 862126.847 765898.1725 908863.9458 496555.7367 841197.9881 546810.2125 738968.4266 993633.1644 940518.6008 1003608.968 576467.5395 631420.54 1260661.433 1594947.702 897153.5041 1193398.604 740748.1038 768837.9074 801587.724 771116.7748 825698.8151 821187.1776 845594.2582 838213.7325 870830.0589 794.1824856 1228.169144 1298.353232 992.1359284 1142.093838 1258.347205 Car(12:0)_feature2 159119.7008 181039.3161 166610.4266 172222.5993 124897.7692 182050.5845 333078.041 284031.9152 184862.5681 186121.4386 133615.0455 214878.483 201694.1142 196522.5056 179594.3381 192847.265 272253.8722 214373.3668 268988.9875 253765.8511 290120.454 225142.7063 144188.0803 187552.4168 200471.8348 205181.791 155684.9194 348989.7241 141249.9637 305852.9471 156441.257 168756.8209 304107.5782 313269.7974 107371.6837 236531.995 165964.2956 191151.0147 188011.5404 174744.0896 104656.5038 207333.1221 112458.0815 157537.0559 193732.8571 229106.6997 226084.3463 135500.2235 117845.2362 267133.7533 362487.8242 182553.0367 264971.3971 157267.874 167700.1525 175097.5541 174076.6783 205993.602 201828.9591 234822.3729 212388.0562 223307.5411 1207.703586 1173.905339 1131.398126 1584.272501 1333.385988 1168.407606 arginine_feature1 26055.74399 22398.86264 15520.8834 22776.30479 18337.31153 19045.28789 36276.92452 30534.28987 26887.95076 18750.35632 20406.37242 25932.76188 16810.76778 18938.88603 22010.66543 20107.40894 26056.77512 37594.12654 18346.79942 32437.71124 40168.68109 25159.43074 14875.80925 19777.89517 13611.01891 37474.38891 20996.671 25214.18013 16864.7101 33000.20999 15813.94587 20595.04296 25831.50387 28549.16715 12529.9924 19877.60345 20653.96486 29265.97652 19455.78699 24029.47476 21080.08907 14519.57712 13652.96118 26814.79769 28100.87972 16370.27155 28565.60383 12879.48178 13006.79384 35227.14714 39171.8642 28310.44532 24888.17327 16132.20944 22736.61754 24624.82602 19003.09751 14705.94432 25020.84998 19585.23968 19943.84026 17813.20484 205.7800028 3185.876554 3315.598704 230.4481867 3305.052944 3519.688573 adenosine_feature1 1877680.012 1897442.116 1893564.34 1647968.532 2154015.385 1967805.941 1979428.577 2180743.273 1959233.644 1887823.054 1480519.898 1834446.365 1953262.873 2076111.043 1650341.264 1651363.874 2340988.217 1260318.489 1759366.548 1858496.718 2006379.669 1620489.625 2279446.278 1557652.181 1521606.63 1509796.56 1380934.704 2998494.976 1232379.831 1792724.369 1501174.014 1536286.311 1268123.687 1821468.125 1067291.754 1892618.216 1547350.639 1442113.364 1505674.036 1944171.627 1458346.174 1231467.209 1440355.657 1484451.669 2067703.294 1644589.979 1858682.069 1811431.66 1672608.983 2821611.333 3305854.109 1540695.975 2302008.13 1850514.829 2015185.602 2129381.779 2196975.987 2122646.034 2172167.027 2028268.015 1931533.206 1999368.013 4984.520563 14505.28673 14221.50471 8282.256539 20022.4223 22309.10748 3-(1-pyrazolyl)-alanine_feature1 100990.6923 105051.7335 58214.90428 71505.59539 56088.36906 76164.43749 117572.8169 77598.47841 93845.69451 75040.69682 61488.42221 78081.03304 49295.15035 74922.05064 75801.67698 75271.0381 79961.91406 65794.87468 82982.09749 72118.82464 98246.40238 72242.86059 51748.52392 75342.73282 68739.09417 72222.96779 70269.17249 114999.5671 67467.41259 92082.57039 83166.9407 64834.34555 77701.41896 79002.6124 47785.79046 100070.3443 63561.86274 84515.41262 69123.99786 75793.36838 76282.11188 62420.38912 62909.32208 71905.56438 79535.14391 71638.9195 75202.20847 44276.95879 56177.8165 76394.50776 69130.8428 56743.34327 54558.00042 36295.53218 43970.27456 22555.70996 29170.39673 41614.49275 31902.89234 40116.91545 32976.30737 27060.24843 592.3507512 3107.314249 3299.001592 2477.016606 3288.508622 3502.069835 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_feature1 C51 H92 D7 N O6 829.7984366 828.7912 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_[iSTD] 8.859 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_feature1 C41 H72 D9 N2 O6 P 738.6454266 737.6382 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[iSTD] 4.418 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_feature1 C23 H39 D7 N O7 P 487.3519466 486.3447 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_[iSTD] 2.15 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_feature1 C41 H73 D7 N O8 P 753.6129766 752.6057 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[iSTD] 4.834 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 529.3987166 528.3914 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] 2.111 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_feature1 C36 H61 D7 O5 588.5576766 587.5504 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(9z,d7)/0:0)_[iSTD] 6.491 GTInternalStandard_CE(18:1(9z,d7))_feature1 C45 H71 D7 O2 658.6508366 657.6436 GTInternalStandard_CE(18:1(9z,d7))_[iSTD] 9.75 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 C39 H68 D7 O10 P 742.5597866 741.5525 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[iSTD] 4.437 Ubiquinol Q9_feature1 C54 H84 O4 797.6448966 796.6376 Ubiquinol Q9 7.236 Ubiquinol Q10 _feature1 C59 H92 O4 865.7070566 864.6998 Ubiquinol Q10 7.691 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature5 C63 H105 N O6 972.8004566 971.7932 TG(60:10)_lp_e 8.517 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature4 C63 H105 N O6 972.8005066 971.7932 TG(60:10)_lp_d 8.383 TG(58:8)>TG(18:0_20:4_20:4)_and_TG(18:0_18:2_22:6)_M+NH3_feature5 C61 H105 N O6 948.8005166 947.7932 TG(58:8)_lp_e 8.556 TG(58:8)>TG(18:0_20:4_20:4)_and_TG(18:0_18:2_22:6)_M+NH3_feature6 C61 H105 N O6 948.8005766 947.7933 TG(58:8)_lp_f 8.684 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 C61 H107 N O6 950.8163266 949.8091 TG(58:7)_lp_e 9.027 TG(58:6)>TG(18:0_18:0_22:6)_M+NH3_feature7 C61 H109 N O6 952.8322166 951.8249 TG(58:6)_lp_g 9.411 TG(58:10)_M+NH3_feature3 C61 H101 N O6 944.7695066 943.7622 TG(58:10)_lp_c 8.111 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 962.9103366 961.9031 TG(58:1)_lp_a 10.009 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 948.8946966 947.8874 TG(57:1) 9.924 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature4 C59 H101 N O6 920.7696966 919.7624 TG(16:0_18:2_22:6)_lp_d 8.25 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 C59 H103 N O6 922.7848666 921.7776 TG(16:0_18:1_22:6)_lp_f 8.582 TG(56:6)>TG(18:0_16:0_22:6)_M+NH3_feature5 C59 H105 N O6 924.8011866 923.7939 TG(56:6)_lp_e 9.061 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 C59 H107 N O6 926.8165766 925.8093 TG(16:0_18:1_22:4)_lp_e 9.218 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature4 C59 H109 N O6 928.8322066 927.8249 TG(56:4)_lp_d 9.427 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature5 C59 H109 N O6 928.8321666 927.8249 TG(56:4)_lp_e 9.49 TG(54:6)>TG(16:0_16:0_22:6)_M+NH3_feature6 C57 H101 N O6 896.7695866 895.7623 TG(54:6)_lp_f 8.607 TG(54:4)_M+NH3_feature6 C57 H105 N O6 900.8012066 899.7939 TG(54:4)_lp_f 9.242 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature8 C57 H107 N O6 902.8069566 901.7997 TG(18:1_18:1_18:1)_lp_h 9.224 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 872.7697666 871.7625 TG(52:4)_lp_f 8.792 Sulfatide(d42:2)>Sulfatide(d18:1/24:1)_feature1 C48 H91 N O11 S 890.6374066 889.6301 Sulfatide(d18:1/24:1) 6.234 sn-glycero-3-phosphocholine_feature1 C8 H20 N O6 P 258.1096966 257.1024 sn-Glycero-3-phosphocholine 0.743 SM(d44:3)_feature1 C49 H95 N2 O6 P 839.6988466 838.6916 SM(d44:3) 6.77 SM(d44:1)_feature1 C49 H99 N2 O6 P 843.7312466 842.724 SM(d44:1) 7.365 SM(d43:2)_feature2 C48 H95 N2 O6 P 827.7004566 826.6932 SM(d43:2)_lp_b 7.028 SM(d43:1)_feature2 C48 H97 N2 O6 P 829.7157666 828.7085 SM(d43:1)_lp_b 7.209 SM(d42:3)_feature1 C47 H91 N2 O6 P 811.6671266 810.6599 SM(d42:3)_lp_a 6.312 SM(d42:3)_feature2 C47 H91 N2 O6 P 811.6761366 810.6689 SM(d42:3)_lp_b 6.488 SM(d42:2)_feature1 C47 H93 N2 O6 P 813.6849766 812.6777 SM(d42:2)_lp_a 6.72 SM(d42:1)_feature2 C47 H95 N2 O6 P 815.7004766 814.6932 SM(d42:1)_lp_b 7.053 SM(d42:0)_feature1 C47 H97 N2 O6 P 817.7160666 816.7088 SM(d42:0)_lp_a 7.172 SM(d41:2)_feature1 C46 H91 N2 O6 P 799.6682566 798.661 SM(d41:2)_lp_a 6.521 SM(d41:2)_feature2and3 C46 H91 N2 O6 P 799.6682766 798.661 SM(d41:2)_lp_bc 6.661 SM(d41:1)_feature1 C46 H93 N2 O6 P 801.6847766 800.6775 SM(d41:1) 6.912 SM(d41:0)_feature1 C46 H95 N2 O6 P 803.6909366 802.6837 SM(d41:0) 6.912 SM(d40:2)_feature2 C45 H89 N2 O6 P 785.6528366 784.6456 SM(d40:2)_lp_b 6.403 SM(d40:2)_feature1 C45 H89 N2 O6 P 785.6527666 784.6455 SM(d40:2)_lp_a 6.161 SM(d40:1)_feature1 C45 H91 N2 O6 P 787.6689466 786.6617 SM(d40:1)_lp_a 6.474 SM(d40:1)_feature2 C45 H91 N2 O6 P 787.6690266 786.6618 SM(d40:1)_lp_b 6.763 SM(d40:0-OH)_feature1 C45 H93 N2 O7 P 805.6780266 804.6708 SM(d40:0-OH) 6.573 SM(d39:1)_feature2 C44 H89 N2 O6 P 773.6523566 772.6451 SM(d39:1)_lp_b 6.572 SM(d38:4)_feature2 C43 H81 N2 O6 P 753.5877866 752.5805 SM(d38:4)_lp_b 5.222 SM(d38:3)_feature1 C43 H83 N2 O6 P 755.6044866 754.5972 SM(d38:3) 4.702 SM(d38:2)_feature2 C43 H85 N2 O6 P 757.6213066 756.614 SM(d38:2)_lp_b 5.452 SM(d38:1)_feature2 C43 H87 N2 O6 P 759.6376266 758.6304 SM(d38:1)_lp_b 6.204 SM(d38:0-OH)_feature1 C43 H89 N2 O7 P 777.6465766 776.6393 SM(d38:0-OH) 5.753 SM(d38:0)_feature1 C43 H89 N2 O6 P 761.5874266 760.5802 SM(d38:0)_lp_a 5.293 SM(d37:1)_feature1 C42 H85 N2 O6 P 745.6214966 744.6142 SM(d37:1) 5.867 SM(d36:2)_feature1 C41 H81 N2 O6 P 729.5895266 728.5823 SM(d36:2) 4.488 SM(d36:1)_feature1 C41 H83 N2 O6 P 731.6065466 730.5993 SM(d36:1) 5.232 SM(d36:0)_feature1 C41 H85 N2 O6 P 733.6215766 732.6143 SM(d36:0) 5.611 SM(d35:2)_feature1 C40 H79 N2 O6 P 715.5743866 714.5671 SM(d35:2) 4.114 SM(d35:1)_feature1 C40 H81 N2 O6 P 717.5899966 716.5827 SM(d35:1) 4.771 SM(d34:2)_feature1 C39 H77 N2 O6 P 701.5589166 700.5516 SM(d34:2) 3.74 SM(d34:1)_feature1 C39 H79 N2 O6 P 703.5741866 702.5669 SM(d34:1) 4.34 SM(d34:0)_feature1 C39 H81 N2 O6 P 705.5895366 704.5823 SM(d34:0) 4.665 SM(d32:1)_feature1 C37 H75 N2 O6 P 675.5429066 674.5356 SM(d32:1) 3.638 SiE(20:4)_M+NH3_feature3 C49 H83 N O2 718.6490366 717.6418 Sitosterol Ester(20:4)_lp_c 9.564 PS(44:10)_feature1 C50 H78 N O10 P 884.5430966 883.5358 PS(44:10) 3.792 PS(40:7)_feature1 C46 H76 N O10 P 834.5273566 833.5201 PS(40:7) 4.258 PS(40:7)_feature2 C46 H76 N O10 P 834.5248266 833.5176 PS(40:7)_lp_b 4.976 PS(40:6)>PS(18:0_22:6)_feature2 C46 H78 N O10 P 836.6049266 835.5977 PS(18:0_22:6)_lp_b 4.649 PS(40:6)_feature3 C46 H78 N O10 P 836.5430666 835.5358 PS(40:6)_lp_c 4.671 PS(40:5)_feature3 C46 H80 N O10 P 838.5581866 837.5509 PS(40:5)_lp_c 4.978 PS(40:5)_feature5 C46 H80 N O10 P 838.5580366 837.5508 PS(40:5)_lp_e 5.277 PS(40:4)_feature1 C46 H82 N O10 P 840.5740066 839.5667 PS(40:4) 5.535 PS(38:5)_feature1 C44 H76 N O10 P 810.5275066 809.5202 PS(38:5) 4.128 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 4.914 PS(38:3)_feature3 C44 H80 N O10 P 814.5587666 813.5515 PS(38:3)_lp_c 5.296 PS(36:2)_feature2 C42 H78 N O10 P 788.5421566 787.5349 PS(36:2)_lp_b 4.856 PS(36:2)_feature3 C42 H78 N O10 P 788.5420566 787.5348 PS(36:2)_lp_c 4.969 PS(36:1)_feature1 C42 H80 N O10 P 790.5350766 789.5278 PS(36:1) 5.697 PI(40:6)>PI(18:0_22:6)_feature1 C49 H83 O13 P 911.5627266 910.5555 PI(18:0_22:6)_lp_a 4.584 PI(38:5)>PI(18:1_20:4)_feature1 C47 H81 O13 P 902.5747966 901.5675 PI(18:1_20:4)_lp_a 4.071 PI(38:4)>PI(18:0_20:4)_feature2 C47 H83 O13 P 887.5632866 886.556 PI(18:0_20:4)_lp_b 4.807 PI(36:4)>PI(16:0_20:4)_feature1 C45 H79 O13 P 859.5323966 858.5251 PI(16:0_20:4) 3.993 PG(38:6)>PG(16:0_22:6)_M+NH3_feature2 C44 H78 N O10 P 812.5427466 811.5355 PG(16:0_22:6)_lp_b 3.976 PG(38:4)>PG(18:0_20:4)_feature3 C44 H79 O10 P 799.5470666 798.5398 PG(18:0_20:4)_lp_c 4.995 PG(36:4)_feature3 C42 H75 O10 P 771.5166266 770.5094 PG(36:4)_lp_c 4.143 PE(O-42:6)>PE(O-18:2/24:4)_feature1 C47 H84 N O7 P 806.6054766 805.5982 PE(O-42:6)_lp_a 6.484 PE(O-42:6)>PE(O-18:1/24:5)_feature2 C47 H84 N O7 P 806.6051066 805.5978 PE(O-42:6)_lp_b 6.688 PE(O-40:8)>PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 774.5424166 773.5351 PE(O-40:8)_lp_b 4.945 PE(O-40:7)>PE(O-18:2/22:5)_feature4 C45 H78 N O7 P 776.5588366 775.5516 PE(O-40:7)_lp_d 5.093 PE(O-40:7)>PE(O-18:1/22:6)_feature7 C45 H78 N O7 P 776.5590166 775.5517 PE(O-18:1/22:6)_lp_g 5.884 PE(O-40:7)>PE(O-18:1/22:6)_feature11 C45 H78 N O7 P 776.5583666 775.5511 PE(O-18:1/22:6)_lp_k 9.435 PE(O-40:6)>PE(O-18:1/22:5)_feature4 C45 H80 N O7 P 778.5740166 777.5667 PE(O-18:1/22:5)_lp_d 6.05 PE(O-40:6)>PE(O-18:1/22:5)_feature5 C45 H80 N O7 P 778.5736566 777.5664 PE(O-18:1/22:5)_lp_e 6.408 PE(O-40:5)>PE(O-18:1/22:4)_feature4 C45 H82 N O7 P 780.5904166 779.5831 PE(O-18:1/22:4)_lp_d 6.583 PE(O-40:5)>PE(O-18:1/22:4)_feature1 C45 H82 N O7 P 780.5892866 779.582 PE(O-18:1/22:4)_lp_a 5.996 PE(O-40:5)>PE(O-18:1/22:4)_feature9 C45 H82 N O7 P 780.5896466 779.5824 PE(O-18:1/22:4)_lp_i 9.576 PE(O-40:4)_feature2 C45 H84 N O7 P 782.6054366 781.5982 PE(O-40:4)_lp_b 6.538 PE(O-40:4)_feature4 C45 H84 N O7 P 782.6041866 781.5969 PE(O-40:4)_lp_d 6.656 PE(O-40:3)>PE(O-18:2/22:1)_feature1 C45 H86 N O7 P 784.6216166 783.6143 PE(O-18:2/22:1)_lp_a 6.942 PE(O-40:2)>PE(O-18:1/22:1)_feature2 C45 H88 N O7 P 786.6372566 785.63 PE(O-18:1/22:1)_lp_b 7.23 PE(O-38:7)>PE(O-16:1/22:6)_feature2 C43 H74 N O7 P 748.5277066 747.5204 PE(O-16:1/22:6)_lp_b 4.891 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature3 C43 H76 N O7 P 750.5422266 749.535 PE(O-38:6)_lp_c 5.507 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 750.5417466 749.5345 PE(O-38:6)_lp_b 5.185 PE(O-38:5)>PE(O-18:2/20:3)_feature4 C43 H78 N O7 P 752.5512266 751.544 PE(O-38:5)_lp_d 5.284 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 752.5590366 751.5518 PE(O-18:1/20:4)_lp_f 6.134 PE(O-38:5)>PE(O-18:1/20:4)_feature9 C43 H78 N O7 P 752.5582266 751.551 PE(O-18:1/20:4)_lp_i 9.495 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 752.5590466 751.5518 PE(O-16:1/22:4)_lp_e 5.818 PE(O-38:4)_feature5 C43 H80 N O7 P 754.5741166 753.5668 PE(O-38:4)_lp_e 6.299 PE(O-38:4)_feature3 C43 H80 N O7 P 754.5735866 753.5663 PE(O-38:4)_lp_c 5.981 PE(O-38:3)>PE(O-18:2/20:1)_feature3 C43 H82 N O7 P 756.5901866 755.5829 PE(O-18:2/20:1)_lp_c 6.666 PE(O-38:2)>PE(O-18:1/20:1)_feature2 C43 H84 N O7 P 758.6062266 757.599 PE(O-38:2)_lp_b 6.717 PE(O-38:2)>PE(O-18:1/20:1)_feature4 C43 H84 N O7 P 758.6062866 757.599 PE(O-38:2)_lp_d 6.948 PE(O-38:2)>PE(O-18:1/20:1)_feature6 C43 H84 N O7 P 758.6051966 757.5979 PE(O-38:2)_lp_f 9.774 PE(O-37:5)>PE(O-17:1/20:4)_feature2 C42 H76 N O7 P 738.5430066 737.5357 PE(O-17:1/20:4)_lp_b 5.634 PE(O-37:2)_feature2 C42 H82 N O7 P 744.5898866 743.5826 PE(O-37:2)_lp_b 6.822 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 724.5276166 723.5203 PE(O-16:1/20:4)_lp_c 5.154 PE(O-36:4)>PE(O-16:1/20:3)_feature3 C41 H76 N O7 P 726.5426566 725.5354 PE(O-36:4)_lp_c 5.553 PE(O-36:3)>PE(O-18:2/18:1)_feature3 C41 H78 N O7 P 728.5589966 727.5517 PE(O-18:2/18:1)_lp_c 6.107 PE(O-36:4)_feature1 C41 H76 N O7 P 726.5427266 725.5355 PE(O-36:4)_lp_a 5.024 PE(O-36:4)>PE(O-16:1/20:3)_feature2 C41 H76 N O7 P 726.5426366 725.5354 PE(O-36:4)_lp_b 5.34 PE(O-36:2)>PE(O-18:1/18:1)_feature1 C41 H80 N O7 P 730.5749266 729.5677 PE(O-18:1/18:1)_lp_a 6.223 PE(O-36:2)>PE(O-18:1/18:1)_feature4 C41 H80 N O7 P 730.5740666 729.5668 PE(O-18:1/18:1)_lp_d 9.642 PE(O-35:3)>PE(O-18:2/17:1)_and_PE(O-17:2/18:1)_feature1 C40 H76 N O7 P 714.5430266 713.5358 PE(O-35:3) 5.661 PE(O-34:2)>PE(O-16:1/18:1)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 702.5434166 701.5361 PE(O-34:2)_lp_a 6.069 PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_feature2 C39 H76 N O7 P 702.5426966 701.5354 PE(O-34:2)_lp_b 9.496 PE(O-34:1)_feature3 C39 H78 N O7 P 704.5582166 703.5509 PE(O-34:1)_lp_c 6.673 PE(O-34:1)_feature1 C39 H78 N O7 P 704.5581866 703.5509 PE(O-34:1)_lp_a 6.212 PE(O-32:1)>PE(O-16:1/16:0)_feature1 C37 H74 N O7 P 676.5271166 675.5198 PE(O-16:1/16:0) 6.012 PE(44:12)_feature1 C49 H74 N O8 P 836.5218266 835.5146 PE(44:12)_lp_a 3.652 PE(44:10)_feature2 C49 H78 N O8 P 840.5517166 839.5444 PE(44:10) 4.331 PE(42:8)>PE(20:4_22:4)_feature5 C47 H78 N O8 P 816.5508466 815.5436 PE(20:4_22:4)_lp_e 6.008 PE(42:8)>PE(20:4_22:4)_feature2 C47 H78 N O8 P 816.5515866 815.5443 PE(20:4_22:4)_lp_b 4.543 PE(42:10)>PE(20:4_22:6)_feature1 C47 H74 N O8 P 812.5218966 811.5146 PE(42:10)_lp_a 3.813 PE(40:8)>PE(18:2_22:6)_feature1 C45 H74 N O8 P 788.5218066 787.5145 PE(18:2_22:6) 3.969 PE(40:7)_feature3 C45 H76 N O8 P 790.5363766 789.5291 PE(40:7)_lp_c 4.552 PE(40:6)_feature3 C45 H78 N O8 P 792.5538666 791.5466 PE(40:6)_lp_c 5.432 PE(40:5)_feature3 C45 H80 N O8 P 794.5677466 793.5605 PE(40:5)_lp_c 5.707 PE(40:5)_feature4 C45 H80 N O8 P 794.5689466 793.5617 PE(40:5)_lp_d 6.02 PE(40:4)>PE(18:0_22:4)_feature4 C45 H82 N O8 P 796.5836066 795.5763 PE(18:0_22:4)_lp_d 6.29 PE(40:4)>PE(18:0_22:4)_feature1 C45 H82 N O8 P 796.5840466 795.5768 PE(18:0_22:4)_lp_a 5.364 PE(38:6)>PE(18:2_20:4)_feature2 C43 H74 N O8 P 764.5220266 763.5148 PE(18:2_20:4)_lp_b 4.138 PE(38:6)_feature3 C43 H74 N O8 P 764.5221266 763.5149 PE(38:6)_lp_c 4.502 PE(38:5)>PE(18:1_20:4)_feature3 C43 H76 N O8 P 766.5372766 765.53 PE(18:1_20:4)_lp_c 4.768 PE(38:5)>PE(18:1_20:4)_feature7 C43 H76 N O8 P 766.5353266 765.5281 PE(18:1_20:4)_lp_g 5.605 PE(38:5)_feature2 C43 H76 N O8 P 766.5390266 765.5318 PE(38:5)_lp_b 3.978 PE(38:5)_feature5 C43 H76 N O8 P 766.5372766 765.53 PE(38:5)_lp_e 5.054 PE(38:4)>PE(18:0_20:4)_feature8 C43 H78 N O8 P 768.5515466 767.5443 PE(18:0_20:4)_lp_h 6.449 PE(38:4)>PE(18:0_20:4)_feature2 C43 H78 N O8 P 768.5525166 767.5452 PE(18:0_20:4)_lp_b 4.646 PE(38:4)>PE(18:0_20:4)_feature4 C43 H78 N O8 P 768.5540066 767.5467 PE(18:0_20:4)_lp_d 5.354 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 768.5539766 767.5467 PE(18:0_20:4)_lp_e 5.681 PE(38:3)>PE(18:0_20:3)_feature2 C43 H80 N O8 P 770.5690566 769.5618 PE(18:0_20:3)_lp_b 6.318 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 770.5689166 769.5616 PE(18:0_20:3)_lp_c 6.052 PE(38:3)>PE(18:0_20:3)_feature1 C43 H80 N O8 P 770.5682966 769.561 PE(18:0_20:3)_lp_a 4.731 PE(36:5)_feature4 C41 H72 N O8 P 738.5063466 737.4991 PE(36:5)_lp_d 4.272 PE(36:5)_feature2 C41 H72 N O8 P 738.5062566 737.499 PE(36:5)_lp_b 3.995 PE(36:4)>PE(16:0_20:4)_feature5 C41 H74 N O8 P 740.5195366 739.5123 PE(16:0_20:4)_lp_e 5.578 PE(36:4)>PE(16:0_20:4)_feature3 C41 H74 N O8 P 740.5221766 739.5149 PE(16:0_20:4)_lp_c 4.714 PE(36:3)_feature2 C41 H76 N O8 P 742.5388566 741.5316 PE(36:3)_lp_b 4.903 PE(36:2)>PE(18:2_18:0)_feature3 C41 H78 N O8 P 744.5536866 743.5464 PE(36:2)_lp_c 5.624 PE(36:2)>PE(18:2_18:0)_feature4 C41 H78 N O8 P 744.5558266 743.5486 PE(36:2)_lp_d 5.814 PE(36:1)_feature3 C41 H80 N O8 P 746.5700966 745.5628 PE(36:1)_lp_c 6.453 PE(34:2)_feature2 C39 H74 N O8 P 716.5218566 715.5146 PE(34:2)_lp_b 4.864 PE(34:1)_feature1 C39 H76 N O8 P 718.5383066 717.531 PE(34:1)_lp_a 5.571 PC(O-42:6)_feature4 C50 H90 N O7 P 848.6514566 847.6442 PC(O-42:6)_lp_d 6.573 PC(O-42:3)_feature1 C50 H96 N O7 P 854.6628266 853.6556 PC(O-42:3) 6.649 PC(O-40:7)_feature1 C48 H84 N O7 P 818.6044166 817.5971 PC(O-40:7)_lp_a 4.835 PC(O-40:7)_feature3 C48 H84 N O7 P 818.6047366 817.5975 PC(O-40:7)_lp_c 5.572 PC(O-40:6)_feature4 C48 H86 N O7 P 820.6205166 819.6132 PC(O-40:6)_lp_d 5.763 PC(O-40:6)_feature5 C48 H86 N O7 P 820.6205666 819.6133 PC(O-40:6)_lp_e 5.572 PC(O-40:6)_feature6 C48 H86 N O7 P 820.6216866 819.6144 PC(O-40:6)_lp_f 6.159 PC(O-40:4)_feature1 C48 H90 N O7 P 824.6607066 823.6534 PC(O-40:4)_lp_a 6.486 PC(O-40:4)_feature2 C48 H90 N O7 P 824.6517966 823.6445 PC(O-40:4)_lp_b 6.529 PC(O-40:3)_feature1 C48 H92 N O7 P 826.6574866 825.6502 PC(O-40:3)_lp_a 6.4 PC(O-38:7)_feature7 C46 H80 N O7 P 790.5755266 789.5683 PC(O-38:7)_lp_g 6.329 PC(O-38:6)_feature5 C46 H82 N O7 P 792.5898366 791.5826 PC(O-18:2/20:4)_lp_e 6.448 PC(O-38:5)_feature3 C46 H84 N O7 P 794.6044566 793.5972 PC(O-38:5)_lp_c 5.827 PC(O-38:4)_feature3 C46 H86 N O7 P 796.5839366 795.5767 PC(O-38:4)_lp_c 5.568 PC(O-38:4)_feature4 C46 H86 N O7 P 796.6201166 795.6128 PC(O-38:4)_lp_d 5.705 PC(O-38:4)_feature6 C46 H86 N O7 P 796.6201166 795.6128 PC(O-38:4)_lp_f 6.018 PC(O-38:4)_feature5 C46 H86 N O7 P 796.5825766 795.5753 PC(O-38:4)_lp_e 5.916 PC(O-38:3)_feature3 C46 H88 N O7 P 798.6366266 797.6294 PC(O-38:3)_lp_c 6.556 PC(O-38:2)_feature3 C46 H90 N O7 P 800.6536066 799.6463 PC(O-38:2)_lp_c 6.884 PC(O-38:2)_feature2 C46 H90 N O7 P 800.6518266 799.6446 PC(O-38:2)_lp_b 6.615 PC(O-36:5)_feature1 C44 H80 N O7 P 766.5728966 765.5656 PC(O-36:5)_lp_a 4.245 PC(O-36:5)_feature5 C44 H80 N O7 P 766.5723866 765.5651 PC(O-36:5)_lp_e 4.87 PC(O-36:4)_feature5 C44 H82 N O7 P 768.5888566 767.5816 PC(O-36:4)_lp_e 5.543 PC(O-36:4)_feature4 C44 H82 N O7 P 768.5897666 767.5825 PC(O-36:4)_lp_d 5.033 PC(O-36:4)_feature2 C44 H82 N O7 P 768.5847966 767.5775 PC(O-36:4)_lp_b 4.767 PC(O-36:3)_feature3 C44 H84 N O7 P 770.6041566 769.5969 PC(O-36:3)_lp_c 5.184 PC(O-36:3)_feature2 C44 H84 N O7 P 770.6042566 769.597 PC(O-36:3)_lp_b 5.436 PC(O-36:2)_feature1 C44 H86 N O7 P 772.6212566 771.614 PC(O-36:2)_lp_a 5.951 PC(O-36:2)_feature3 C44 H86 N O7 P 772.6222366 771.615 PC(O-36:2)_lp_c 6.568 PC(O-36:1)_feature3 C44 H88 N O7 P 774.6371566 773.6299 PC(O-36:1)_lp_c 6.645 PC(O-36:0)_feature1 C44 H90 N O7 P 776.6526066 775.6453 PC(O-36:0) 6.95 PC(O-34:2)_feature2 C42 H82 N O7 P 744.5902666 743.583 PC(O-34:2)_lp_b 5.763 PC(O-34:2)_feature1 C42 H82 N O7 P 744.5901566 743.5829 PC(O-34:2)_lp_a 5.033 PC(O-34:1)_feature3 C42 H84 N O7 P 746.6062766 745.599 PC(O-34:1)_lp_c 5.929 PC(O-34:1)_feature4 C42 H84 N O7 P 746.6054466 745.5982 PC(O-34:1)_lp_d 6.547 PC(O-34:0)_feature1 C42 H86 N O7 P 748.6214966 747.6142 PC(O-34:0) 6.626 PC(O-33:0)_feature1 C41 H84 N O7 P 734.6126566 733.6054 PC(O-33:0)_lp_a 5.268 PC(O-33:0)_feature2 C41 H84 N O7 P 734.6049466 733.5977 PC(O-33:0)_lp_b 5.694 PC(O-32:1)_feature2 C40 H80 N O7 P 718.5742366 717.567 PC(O-32:1)_lp_b 5.722 PC(O-32:1)_feature1 C40 H80 N O7 P 718.5740766 717.5668 PC(O-32:1)_lp_a 4.993 PC(O-32:0)_feature1 C40 H82 N O7 P 720.5898366 719.5826 PC(O-32:0) 5.857 PC(O-30:0)_feature1 C38 H78 N O7 P 692.5580966 691.5508 PC(O-30:0) 4.916 PC(46:7)_feature1 C54 H94 N O8 P 916.6781266 915.6709 PC(46:7) 6.67 PC(44:8)_feature1 C52 H88 N O8 P 886.6310666 885.6238 PC(44:8)_lp_a 5.001 PC(44:5)_feature1 C52 H94 N O8 P 892.6778766 891.6706 PC(44:5)_lp_a 6.753 PC(44:4)_feature1 C52 H96 N O8 P 894.6935966 893.6863 PC(44:4)_lp_a 6.86 PC(44:4)_feature2 C52 H96 N O8 P 894.6935966 893.6863 PC(44:4)_lp_b 7.071 PC(44:2)_feature1 C52 H100 N O8 P 898.7256466 897.7184 PC(44:2) 7.307 PC(44:12)_feature1 C52 H80 N O8 P 878.5691366 877.5619 PC(44:12) 3.512 PC(44:10)_feature1 C52 H84 N O8 P 882.6000066 881.5927 PC(44:10) 4.135 PC(43:4)_feature1 C51 H94 N O8 P 880.6783966 879.6711 PC(43:4) 6.932 PC(43:2)_feature1 C51 H98 N O8 P 884.7098166 883.7025 PC(43:2) 7.146 PC(43:1)_feature1 C51 H100 N O8 P 886.7267666 885.7195 PC(43:1) 7.53 PC(42:9)_feature3 C50 H82 N O8 P 856.5844166 855.5771 PC(42:9)_lp_c 4.098 PC(42:8)_feature2 C50 H84 N O8 P 858.5988066 857.5915 PC(42:8)_lp_b 4.331 PC(42:7)_feature4 C50 H86 N O8 P 860.6145966 859.6073 PC(42:7)_lp_d 5.126 PC(42:6)_feature4 C50 H88 N O8 P 862.6309366 861.6237 PC(42:6)_lp_d 6.118 PC(42:6)_feature3 C50 H88 N O8 P 862.6310066 861.6237 PC(42:6)_lp_c 5.726 PC(42:5)_feature6 C50 H90 N O8 P 864.6464966 863.6392 PC(42:5)_lp_f 6.297 PC(42:4)_feature3 C50 H92 N O8 P 866.6625566 865.6553 PC(42:4)_lp_c 6.794 PC(42:3)_feature2 C50 H94 N O8 P 868.6769466 867.6697 PC(42:3)_lp_b 7.352 PC(42:3)_feature1 C50 H94 N O8 P 868.6785466 867.6713 PC(42:3)_lp_a 6.807 PC(42:2)_feature1 C50 H96 N O8 P 870.6857266 869.6785 PC(42:2)_lp_a 6.803 PC(42:2)_feature2 C50 H96 N O8 P 870.6943866 869.6871 PC(42:2)_lp_b 7.006 PC(42:1)_feature2 C50 H98 N O8 P 872.7110166 871.7037 PC(42:1)_lp_b 7.35 PC(41:7)_feature1 C49 H84 N O8 P 846.5989766 845.5917 PC(41:7)_lp_a 4.717 PC(41:6)_feature3 C49 H86 N O8 P 848.6156066 847.6083 PC(41:6)_lp_c 5.639 PC(41:3)_feature1 C50 H80 N O8 P 854.5689066 853.5616 PC(41:3) 3.654 PC(41:2)_feature2 C49 H94 N O8 P 856.6785366 855.6713 PC(41:2)_lp_b 6.871 PC(41:1)_feature1 C49 H96 N O8 P 858.6951866 857.6879 PC(41:1) 7.197 PC(40:8)_feature1 C48 H80 N O8 P 830.5688766 829.5616 PC(40:8) 3.81 PC(40:7)_feature3 C48 H82 N O8 P 832.5835766 831.5763 PC(40:7)_lp_c 4.333 PC(40:7)_feature1 C48 H82 N O8 P 832.5837366 831.5765 PC(40:7)_lp_a 4.133 PC(40:6)_feature3 C48 H84 N O8 P 834.6006766 833.5934 PC(40:6)_lp_c 5.141 PC(40:5)_feature4 C48 H86 N O8 P 836.6155466 835.6083 PC(40:5)_lp_d 5.757 PC(40:5)_feature2 C48 H86 N O8 P 836.6155166 835.6082 PC(40:5)_lp_b 5.382 PC(40:4)_feature2 C48 H88 N O8 P 838.6320266 837.6248 PC(40:4)_lp_b 6.042 PC(40:4)_feature3 C48 H88 N O8 P 838.6296966 837.6224 PC(40:4)_lp_c 6.757 PC(40:4)_feature1 C48 H88 N O8 P 838.6320166 837.6247 PC(40:4)_lp_a 5.813 PC(40:2)_feature1 C48 H92 N O8 P 842.6620266 841.6548 PC(40:2)_lp_a 6.734 PC(40:1)_feature1 C48 H94 N O8 P 844.6782666 843.671 PC(40:1) 7.046 PC(39:6)_feature1 C47 H82 N O8 P 820.5835166 819.5762 PC(39:6)_lp_a 4.424 PC(39:6)_feature5 C47 H82 N O8 P 820.5847066 819.5774 PC(39:6)_lp_e 5.713 PC(39:6)_feature4 C47 H82 N O8 P 820.5845866 819.5773 PC(39:6)_lp_d 5.514 PC(39:6)_feature3 C47 H82 N O8 P 820.5842066 819.5769 PC(39:6)_lp_c 4.699 PC(39:5)_feature7 C47 H84 N O8 P 822.5998166 821.5925 PC(39:5)_lp_g 6.126 PC(39:5)_feature1 C47 H84 N O8 P 822.5997366 821.5925 PC(39:5)_lp_a 4.224 PC(39:5)_feature2 C47 H84 N O8 P 822.5993966 821.5921 PC(39:5)_lp_b 4.95 PC(39:5)_feature10 C47 H84 N O8 P 822.6000366 821.5928 PC(39:5)_lp_j 6.473 PC(39:4)_feature6 C47 H86 N O8 P 824.6156166 823.6083 PC(39:4)_lp_f 6.547 PC(39:4)_feature5 C47 H86 N O8 P 824.6153266 823.6081 PC(39:4)_lp_e 5.894 PC(39:4)_feature3 C47 H86 N O8 P 824.6152966 823.608 PC(39:4)_lp_c 5.564 PC(39:1)_feature3 C47 H92 N O8 P 830.6625166 829.6552 PC(39:1)_lp_c 6.907 PC(39:1)_feature4 C47 H92 N O8 P 830.6633566 829.6561 PC(39:1)_lp_d 7.398 PC(39:1)_feature1 C47 H92 N O8 P 830.6621666 829.6549 PC(39:1)_lp_a 6.799 PC(38:7)_feature2 C46 H78 N O8 P 804.5530266 803.5458 PC(38:7)_lp_b 3.671 PC(38:6)_feature2 C46 H80 N O8 P 806.5691366 805.5619 PC(38:6)_lp_b 4.278 PC(38:6)_feature1 C46 H80 N O8 P 806.5689866 805.5617 PC(38:6)_lp_a 3.972 PC(38:5)_feature3 C46 H82 N O8 P 808.5837266 807.5765 PC(38:5)_lp_c 4.545 PC(38:4)_feature1 C46 H84 N O8 P 810.5999466 809.5927 PC(38:4)_lp_a 4.676 PC(38:4)_feature4 C46 H84 N O8 P 810.6003166 809.593 PC(38:4)_lp_d 5.397 PC(38:4)_feature3 C46 H84 N O8 P 810.6003366 809.5931 PC(38:4)_lp_c 5.08 PC(38:3)_feature1 C46 H86 N O8 P 812.6138466 811.6066 PC(38:3)_lp_a 4.539 PC(38:3)_feature4 C46 H86 N O8 P 812.6155266 811.6083 PC(38:3)_lp_d 6.077 PC(38:3)_feature3 C46 H86 N O8 P 812.6155466 811.6083 PC(38:3)_lp_c 5.785 PC(38:3)_feature2 C46 H86 N O8 P 812.6159666 811.6087 PC(38:3)_lp_b 5.583 PC(38:2)_feature2 C46 H88 N O8 P 814.6305266 813.6233 PC(38:2)_lp_b 6.208 PC(38:1)_feature1 C46 H90 N O8 P 816.6472066 815.6399 PC(38:1) 6.744 PC(37:6)_feature1 C45 H78 N O8 P 792.5532966 791.546 PC(37:6)_lp_a 3.926 PC(37:5)_feature2 C45 H80 N O8 P 794.6053866 793.5981 PC(37:5)_lp_b 5.057 PC(37:4)_feature5 C45 H82 N O8 P 796.5836966 795.5764 PC(37:4)_lp_e 6.095 PC(37:4)_feature3 C45 H82 N O8 P 796.5836166 795.5763 PC(37:4)_lp_c 4.931 PC(37:3)_feature4 C45 H84 N O8 P 798.6000866 797.5928 PC(37:3)_lp_d 6.673 PC(37:3)_feature3 C45 H84 N O8 P 798.5990066 797.5917 PC(37:3)_lp_c 5.682 PC(37:3)_feature1 C45 H84 N O8 P 798.6002666 797.593 PC(37:3)_lp_a 5.076 PC(37:2)_feature3 C45 H86 N O8 P 800.6169966 799.6097 PC(37:2)_lp_c 6.508 PC(37:2)_feature1 C45 H86 N O8 P 800.6152566 799.608 PC(37:2)_lp_a 5.795 PC(37:1)_feature2 C45 H88 N O8 P 802.6308166 801.6235 PC(37:1)_lp_b 6.577 PC(37:1)_feature5 C45 H88 N O8 P 802.6326166 801.6253 PC(37:1)_lp_e 7.097 PC(37:1)_feature1 C45 H88 N O8 P 802.6393966 801.6321 PC(37:1)_lp_a 5.957 PC(36:6)_feature5 C44 H76 N O8 P 778.5352166 777.5279 PC(36:6)_lp_e 4.098 PC(36:6)_feature3 C44 H76 N O8 P 778.5374466 777.5302 PC(36:6)_lp_c 3.605 PC(36:5)_feature2 C44 H78 N O8 P 780.5530366 779.5458 PC(36:5)_lp_b 3.827 PC(36:4)_feature3 C44 H79 N Na O8 P 804.5494566 803.5422 PC(36:4)_lp_c 4.564 PC(36:4)_feature2 C44 H80 N O8 P 782.5689166 781.5616 PC(36:4)_lp_b 4.102 PC(36:4)_feature6 C44 H80 N O8 P 782.5678466 781.5606 PC(36:4)_lp_f 5.517 PC(36:3)_feature3 C44 H82 N O8 P 784.5838866 783.5766 PC(36:3)_lp_c 4.845 PC(36:3)_feature5 C44 H82 N O8 P 784.5838766 783.5766 PC(36:3)_lp_e 5.107 PC(36:3)_feature1 C44 H82 N O8 P 784.5844766 783.5772 PC(36:3)_lp_a 3.998 PC(36:2)_feature5 C44 H84 N O8 P 786.6004666 785.5932 PC(36:2)_lp_e 6.201 PC(36:2)_feature2 C44 H84 N O8 P 786.6001866 785.5929 PC(36:2)_lp_b 5.356 PC(36:2)_feature3 C44 H84 N O8 P 786.6003966 785.5931 PC(36:2)_lp_c 5.553 PC(36:1)_feature1 C44 H86 N O8 P 788.6166866 787.6094 PC(36:1)_lp_a 6.244 PC(36:0)_feature2 C44 H88 N O8 P 790.6320066 789.6247 PC(36:0)_lp_b 6.74 PC(36:0)_feature1 C44 H88 N O8 P 790.6309066 789.6236 PC(36:0)_lp_a 5.598 PC(35:4)_feature2 C43 H78 N O8 P 768.5533566 767.5461 PC(35:4)_lp_b 4.114 PC(35:4)_feature4 C43 H78 N O8 P 768.5539366 767.5467 PC(35:4)_lp_d 5.14 PC(35:3)_feature3 C43 H80 N O8 P 770.5694666 769.5622 PC(35:3)_lp_c 5.029 PC(35:2)_feature4 C43 H82 N O8 P 772.5864066 771.5791 PC(35:2)_lp_d 6.586 PC(35:2)_feature1 C43 H82 N O8 P 772.5840566 771.5768 PC(35:2)_lp_a 4.941 PC(35:1)_feature1 C43 H84 N O8 P 774.6001266 773.5929 PC(35:1)_lp_a 5.789 PC(35:1)_feature2 C43 H84 N O8 P 774.6007766 773.5935 PC(35:1)_lp_b 6.803 PC(35:0)_feature2 C43 H86 N O8 P 776.6162266 775.609 PC(35:0)_lp_b 6.541 PC(35:0)_feature3 C43 H86 N O8 P 776.6172566 775.61 PC(35:0)_lp_c 6.71 PC(34:4)_feature2 C42 H76 N O8 P 754.5376566 753.5304 PC(34:4)_lp_b 3.765 PC(34:4)_feature4 C42 H76 N O8 P 754.5362566 753.529 PC(34:4)_lp_d 4.76 PC(34:4)_feature5 C42 H76 N O8 P 754.5362966 753.529 PC(34:4)_lp_e 4.996 PC(34:3)_feature4 C42 H78 N O8 P 756.5528266 755.5456 PC(34:3)_lp_d 4.21 PC(34:2)_feature1 C42 H80 N O8 P 758.5691966 757.5619 PC(34:2)_lp_a 4.623 PC(34:1)_feature2 C42 H82 N O8 P 760.5850366 759.5778 PC(34:1)_lp_b 5.294 PC(34:0)_feature1 C42 H84 N O8 P 762.5993766 761.5921 PC(34:0)_lp_a 4.71 PC(34:0)_feature4 C42 H84 N O8 P 762.6006866 761.5934 PC(34:0)_lp_c 6.175 PC(33:3)_feature3 C41 H76 N O8 P 742.5376766 741.5304 PC(33:3)_lp_c 4.155 PC(33:1)_feature1 C41 H80 N O8 P 746.5698566 745.5626 PC(33:1)_lp_a 4.858 PC(33:0)_feature6 C41 H82 N O8 P 748.5848766 747.5776 PC(33:0)_lp_f 6.799 PC(33:0)_feature1 C41 H82 N O8 P 748.5849366 747.5777 PC(33:0)_lp_a 4.724 PC(33:0)_feature3 C41 H82 N O8 P 748.5848866 747.5776 PC(33:0)_lp_c 5.723 PC(33:0)_feature4 C41 H82 N O8 P 748.5870466 747.5798 PC(33:0)_lp_d 6.052 PC(33:0)_feature5 C41 H82 N O8 P 748.5863266 747.5791 PC(33:0)_lp_e 6.325 PC(32:2)_feature3 C40 H76 N O8 P 730.5370866 729.5298 PC(32:2)_lp_c 4.231 PC(32:2)_feature4 C40 H76 N O8 P 730.5369166 729.5296 PC(32:2)_lp_d 4.407 PC(32:1)_feature2 C40 H78 N O8 P 732.5532266 731.546 PC(32:1)_lp_b 4.576 PC(32:1)_feature1 C40 H78 N O8 P 732.5532166 731.5459 PC(32:1)_lp_a 4.43 PC(32:0)_feature1 C40 H80 N O8 P 734.5681466 733.5609 PC(32:0)_lp_a 4.364 PC(32:0)_feature2 C40 H80 N O8 P 734.5694666 733.5622 PC(32:0)_lp_b 5.197 PC(31:1)_feature1 C39 H76 N O8 P 718.5376366 717.5304 PC(31:1)_lp_a 4.132 PC(31:1)_feature3 C39 H76 N O8 P 718.5401966 717.5329 PC(31:1)_lp_c 4.718 PC(31:0)_feature2 C39 H78 N O8 P 720.5533166 719.546 PC(31:0)_lp_b 4.766 PC(30:0)_feature1 C38 H76 N O8 P 706.5372466 705.53 PC(30:0)_lp_a 4.354 PC(28:0)_feature1 C36 H72 N O8 P 678.5061966 677.4989 PC(28:0) 3.657 PA(38:4)>PA(18:0_20:4)_M+NH3_feature1 C41 H76 N O8 P 742.5375566 741.5303 PA(38:4) 5.419 PA(34:1)_feature2 C37 H71 O8 P 675.4951666 674.4879 PA(34:1) 5.338 octadecanamine_feature1 C18 H39 N 270.3150666 269.3078 Octadecylamine 2.304 LPE(O-18:2)_feature1 C23 H46 N O6 P 464.3131566 463.3059 LPE(O-18:2) 2.269 LPE(18:1)>LPE(0:0/18:1)feature1 C23 H46 N O7 P 480.3080366 479.3008 LPE(18:1)_lp_a 2.131 LPE(18:1)>LPE(18:1/0:0)feature2 C23 H46 N O7 P 480.3079266 479.3007 LPE(18:1)_lp_b 2.165 LPE(18:0/0:0)_feature2 C23 H48 N O7 P 482.3236066 481.3163 LPE(18:0/0:0)_lp_b 2.418 LPE(16:0)_feature1and2 C21 H44 N O7 P 454.2921366 453.2849 LPE(16:0) 2.098 LPC(26:0)>LPC(26:0/0:0)_and_LPC(0:0/26:0)feature1and2 C34 H70 N O7 P 636.4954266 635.4882 LPC(26:0)_lp_ab 4.704 LPC(24:1)>LPC(24:1/0:0)feature2 C32 H64 N O7 P 606.4487366 605.4415 LPC(24:1)_lp_b 3.175 LPC(24:0)>LPC(0:0/24:0)feature1 C32 H66 N O7 P 608.4645566 607.4573 LPC(24:0)_lp_a 3.858 LPC(24:0)>LPC(24:0/0:0)feature2 C32 H66 N O7 P 608.4645666 607.4573 LPC(24:0)_lp_b 3.685 LPC(23:0)>LPC(23:0/0:0)_and_LPC(0:0/23:0)feature2 C31 H64 N O7 P 594.4490566 593.4418 LPC(23:0)_lp_b 3.51 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)feature1and2 C30 H50 N O7 P 568.3390666 567.3318 LPC(22:6)_lp_ab 1.672 LPC(22:4)>LPC(22:4/0:0)_and_LPC(0:0/22:4)feature1and2 C30 H54 N O7 P 572.3702266 571.363 LPC(22:4)_lp_ab 2.046 LPC(22:1)>LPC(22:1/0:0)feature2 C30 H60 N O7 P 578.4173366 577.4101 LPC(22:1)_lp_b 2.729 LPC(22:0)>LPC(22:0/0:0)feature2 C30 H62 N O7 P 580.4331166 579.4258 LPC(22:0)_lp_b 3.215 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)feature1and2 C28 H50 N O7 P 544.3391166 543.3318 LPC(20:4)_lp_ab 1.724 LPC(20:1)>LPC(20:1/0:0)feature2 C28 H56 N O7 P 550.3859866 549.3787 LPC(20:1)_lp_b 2.401 LPC(20:0/0:0)_and_LPC(0:0/20:0)_feature1and2 C28 H58 N O7 P 552.4017066 551.3944 LPC(20:0/0:0)_lp_ab 2.731 LPC(18:1)>LPC(18:1/0:0)feature2 C26 H52 N O7 P 522.3546666 521.3474 LPC(18:1)_lp_b 2.12 LPC(18:1)>LPC(0:0/18:1)feature1 C26 H52 N O7 P 522.3546966 521.3474 LPC(0:0/18:1)_lp_a 2.052 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)feature1and2 C26 H54 N O7 P 524.3707866 523.3635 LPC(18:0)_lp_ab 2.377 LPC(17:0/0:0)_feature2 C25 H52 N O7 P 510.3551866 509.3479 LPC(17:0/0:0)_lp_b 2.227 LPC(16:1)>LPC(16:1/0:0)_and_LPC(0:0/16:1)feature1and2 C24 H48 N O7 P 494.3234466 493.3162 LPC(16:1)_lp_ab 1.684 LPC(16:0)>LPC(0:0/16:0)feature1 C24 H50 N O7 P 496.3395466 495.3323 LPC(16:0)_lp_a 1.969 LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature1and2 C24 H50 N O7 P 496.3393866 495.3321 LPC(16:0)_lp_ab 2.053 HexCer(t42:0)>HexCer(t18:0_24:0-OH)_feature1 C48 H95 N O10 846.7014466 845.6942 HexCer(t18:0_24:0-OH) 6.918 HexCer(d44:2-OH)>HexCer(d18:1/26:1-OH)_and_HexCer(d20:1/24:1-OH)_feature2 C50 H95 N O9 854.7077366 853.7005 HexCer(d44:2-OH)_lp_b 6.981 HexCer(d44:1-OH)>HexCer(d18:1/26:0)_feature1 C50 H97 N O9 856.7236866 855.7164 HexCer(d44:1-OH) 7.319 HexCer(d44:1)>HexCer(d18:1/26:0)_feature1 C50 H97 N O8 840.7289166 839.7216 HexCer(d44:1) 7.401 HexCer(d43:2-OH)>HexCer(d18:1/25:1-OH)_feature1 C49 H93 N O9 840.6919366 839.6847 HexCer(d18:1/25:1-OH) 6.85 HexCer(d43:2)>HexCer(d18:1/25:1)_feature1 C49 H93 N O8 824.6969466 823.6897 HexCer(d18:1/25:1) 7.167 HexCer(d43:1-OH)_feature1 C49 H95 N O9 842.7067366 841.6995 HexCer(d43:1-OH) 6.809 HexCer(d43:1)>HexCer(d18:1/25:0)_feature1 C49 H95 N O8 826.7131566 825.7059 HexCer(d18:1/25:0) 7.245 HexCer(d42:3)_M+H2CO2_feature3 C48 H89 N O8 808.6664166 807.6591 HexCer(d42:3)_lp_c 6.479 HexCer(d42:3)>HexCer(d18:2/24:1)_feature1 C48 H89 N O8 808.6652666 807.658 HexCer(d18:2/24:1)_lp_a 5.517 HexCer(d42:3)>HexCer(d18:1/24:2)_feature2 C48 H89 N O8 808.6645466 807.6573 HexCer(d18:2/24:1)_lp_b 6.091 HexCer(d42:3)>HexCer(d18:1/24:2)_feature4 C48 H89 N O8 808.6663966 807.6591 HexCer(d18:2/24:1)_lp_d 6.748 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH)_feature1 C48 H91 N O9 826.6760966 825.6688 HexCer(d18:1/24:1-OH)_lp_a 6.073 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH)_feature3 C48 H91 N O9 826.6759866 825.6687 HexCer(d18:1/24:1-OH)_lp_c 6.717 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH)_feature2 C48 H91 N O9 826.6756566 825.6684 HexCer(d18:1/24:1-OH)_lp_b 6.335 HexCer(d42:2)>HexCer(d18:2/24:0)_feature2 C48 H91 N O8 810.6800566 809.6728 HexCer(d42:2)_lp_b 6.44 HexCer(d42:2)>HexCer(d18:1/24:1)_feature1 C48 H91 N O8 810.6798966 809.6726 HexCer(d42:2)_lp_a 6.235 HexCer(d42:2)>HexCer(d18:1/24:1)_feature3 C48 H91 N O8 810.6821866 809.6749 HexCer(d42:2)_lp_c 6.79 HexCer(d42:2)>HexCer(d18:1/24:1)_feature4 C48 H91 N O8 810.6813166 809.674 HexCer(d42:2)_lp_d 8.938 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature2 C48 H93 N O9 828.6926466 827.6854 HexCer(d18:1/24:0-OH)_lp_b 7.031 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature1 C48 H93 N O9 828.6916766 827.6844 HexCer(d18:1/24:0-OH)_lp_a 6.673 HexCer(d42:1)_feature2 C48 H93 N O8 812.6893866 811.6821 HexCer(d42:1)_lp_b 6.72 HexCer(d42:1)_feature1 C48 H93 N O8 812.6965866 811.6893 HexCer(d42:1)_lp_a 6.467 HexCer(d42:0-OH)>HexCer(d18:0/24:0-OH)_feature1 C48 H95 N O9 830.7077966 829.7005 HexCer(d18:0/24:0-OH) 6.848 HexCer(d41:2-OH)>HexCer(d18:2/23:0-OH)_feature2 C47 H89 N O9 812.6603166 811.653 HexCer(d18:2/23:0-OH_lp_b 6.654 HexCer(d41:2-OH)>HexCer(d18:1/23:1-OH)_feature2 C47 H89 N O9 812.6554266 811.6482 HexCer(d18:1/23:1-OH)_lp_b 7.207 HexCer(d41:2-OH)>HexCer(d18:1/23:1-OH)_feature1 C47 H89 N O9 812.6603266 811.6531 HexCer(d18:1/23:1-OH)_lp_a 6.524 HexCer(d41:2)_feature1 C47 H89 N O8 796.6665766 795.6593 HexCer(d41:2)_lp_a 6.74 HexCer(d41:2)_feature2 C47 H89 N O8 796.6665466 795.6593 HexCer(d41:2)_lp_b 6.638 HexCer(d41:1-OH)>HexCer(d18:1/23:0-OH)_feature2 C47 H91 N O9 814.6775066 813.6702 HexCer(d18:1/23:0-OH)_lp_b 6.891 HexCer(d40:2-OH)>HexCer(d18:2/22:0-OH)_feature1 C46 H87 N O9 798.6443866 797.6371 HexCer(d18:2/22:0-OH)_lp_a 6.398 HexCer(d40:2-OH)>HexCer(d18:2/22:0-OH)_feature2 C46 H87 N O9 798.6372866 797.63 HexCer(d18:2/22:0-OH)_lp_b 7.069 HexCer(d40:2-OH)>HexCer(d18:1/22:1-OH)_feature1 C46 H87 N O9 798.6443266 797.6371 HexCer(d18:1/22:1-OH)_lp_a 6.187 HexCer(d40:2)>HexCer(d18:1/22:1)_feature1 C46 H87 N O8 782.5960666 781.5888 HexCer(d18:1/22:1)_lp_a 6.46 HexCer(d40:2)>HexCer(d18:1/22:1)_feature3 C46 H87 N O8 782.6498466 781.6426 HexCer(d18:1/22:1)_lp_c 6.787 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature2 C46 H89 N O9 800.6612766 799.654 HexCer(d18:1/22:0-OH)_lp_b 6.752 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature1 C46 H89 N O9 800.6595166 799.6522 HexCer(d18:1/22:0-OH)_lp_a 6.172 HexCer(d40:1)>HexCer(d18:1_22:0)_feature1 C46 H89 N O8 784.6668366 783.6596 HexCer(d40:1)_lp_a 6.324 HexCer(d40:1)>HexCer(d18:1_22:0)_feature2 C46 H89 N O8 784.6663266 783.6591 HexCer(d40:1)_lp_b 6.826 HexCer(d38:2)>HexCer(d18:2/20:0)_feature1 C44 H83 N O8 754.6192366 753.612 HexCer(d18:2/20:0) 5.707 HexCer(d38:1-OH)>HexCer(d18:1/20:0-OH)_feature1 C44 H85 N O9 772.6295666 771.6223 HexCer(d18:1/20:0-OH) 6.239 HexCer(d38:1)>HexCer(d18:1/20:0)_feature1 C44 H85 N O8 756.6343466 755.6271 HexCer(d38:1) 6.427 HexCer(d36:2)>HexCer(d18:2/18:0)_feature1 C42 H79 N O8 726.5873066 725.58 HexCer(d18:2/18:0) 4.724 HexCer(d36:1)>HexCer(d18:1/18:0)_feature1 C42 H81 N O8 728.6030866 727.5958 HexCer(d36:1) 5.51 HexCer(d34:1)>HexCer(d18:1/16:0)_feature1 C40 H77 N O8 700.5712166 699.5639 HexCer(d34:1) 4.577 Hex2Cer(d42:2)>Hex2Cer(d18:1/24:1)_feature1 C54 H101 N O13 972.7338166 971.7265 Hex2Cer(d18:1/24:1) 6.684 Hex2Cer(d42:1)>Hex2Cer(d18:1/24:0)_feature1 C54 H103 N O13 974.7497666 973.7425 Hex2Cer(d18:1/24:0) 6.988 Eucramide Dimer_feature1 C44 H86 N2 O2 675.6755066 674.6682 Eucramide Dimer 3.242 EA(22:0)_feature1 C24 H49 N O2 384.3831966 383.3759 Behenoyl-EA 3.777 EA(20:0)_feature1 C22 H45 N O2 356.3518466 355.3446 Eicosanoyl-EA 3.136 EA(18:0)_feature1 C20 H41 N O2 328.3205566 327.3133 Stearoyl-EA 2.368 EA(17:0)_feature1 C19 H39 N O2 314.3049466 313.2977 EA(17:0) 2.421 EA(15:0)_feature1 C17 H35 N O2 286.2736266 285.2664 EA(15:0) 2.157 DG(40:7)>DG(18:1_22:6_0:0)_M+NH3_feature3 C43 H73 N O5 684.5556666 683.5484 DG(18:1_22:6)_lp_c 5.881 DG(40:6)>DG(18:0_22:6_0:0)_feature6 C43 H72 O5 669.5448866 668.5376 DG(40:6)_lp_f 6.627 DG(40:4)_feature2 C43 H76 O5 673.5762866 672.569 DG(40:4)_lp_b 6.939 DG(38:5)>DG(18:1_20:4_0:0)_feature2 C41 H70 O5 643.5290566 642.5218 DG(18:1_20:4)_lp_b 6.152 DG(38:4)>DG(18:0_20:4_0:0)_feature6 C41 H72 O5 645.5448866 644.5376 DG(18:0_20:4)_lp_f 6.737 DG(38:4)>DG(16:0_22:4_0:0)_feature4 C41 H72 O5 645.5448266 644.5376 DG(38:4)_lp_d 6.615 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 C39 H68 O5 634.5399166 633.5326 DG(16:0_20:4)_lp_b 6.132 DG(36:1)>DG(18:0_18:1_0:0)_feature2 C39 H74 O5 623.5602966 622.553 DG(18:0_18:1)_lp_b 7.037 DG(35:4)_feature1 C39 H68 O5 617.5133866 616.5061 DG(35:4) 6.126 DG(34:1)>DG(16:0_18:1_0:0) _feature2 C37 H70 O5 595.5290366 594.5218 DG(16:0_18:1)_lp_b 6.731 DG(34:0)>DG(16:0_18:0_0:0)_feature2 C37 H72 O5 597.5447166 596.5374 DG(34:0)_lp_b 7.028 DG(32:0)>DG(16:0_16:0_0:0)_feature2 C35 H68 O5 569.5134566 568.5062 DG(16:0_16:0)_lp_b 6.72 Coenzyme(Q9)_feature1 C54 H82 O4 795.6288166 794.6215 Coenzyme(Q9) 7.586 Coenzyme Q10_feature1 C59 H90 O4 863.6910366 862.6838 Coenzyme Q10 8.123 cholesterol M - H2O_feature1 C27 H44 369.3508866 368.3436 Cholesterol 4.893 Cer(d44:2)>Cer(d18:1/26:1)_feature1 C44 H85 N O3 676.6597866 675.6525 Cer(d18:1/26:1)_lp_a 7.358 Cer(d43:2)>Cer(d18:1/25:1)_feature1 C43 H83 N O3 662.6443766 661.6371 Cer(d18:1/25:1)_lp_a 7.196 Cer(d43:1)>Cer(d18:1/25:0)_feature2 C43 H85 N O3 664.6601066 663.6528 Cer(d18:1/25:0)_lp_b 7.614 Cer(d42:3)_feature1 C42 H79 N O3 646.6127166 645.6054 Cer(d42:3)_lp_a 6.717 Cer(d42:2-OH)>Cer(d18:1/24:1-OH) _feature1 C42 H81 N O4 664.6231566 663.6159 Cer(d18:1/24:1-OH) 6.717 Cer(d42:2)>Cer(d18:1/24:1)_feature3 C42 H81 N O3 648.6283666 647.6211 Cer(d18:1/24:1)_lp_c 7.053 Cer(d42:2)>Cer(d18:1/24:1)_feature1 C42 H81 N O3 648.6284266 647.6212 Cer(d18:1/24:1)_lp_a 6.79 Cer(d42:1)>Cer(d18:1/24:0)_feature1 C42 H83 N O3 650.6442866 649.637 Cer(d18:1/24:0)_lp_a 7.102 Cer(d42:1)>Cer(d18:1/24:0)_feature2 C42 H83 N O3 650.6445766 649.6373 Cer(d18:1/24:0)_lp_b 7.437 Cer(d41:2)>Cer(d18:2/23:0)_feature2 C41 H79 N O3 634.6129266 633.6057 Cer(d18:2/23:0)_lp_b 7.013 Cer(d41:2)>Cer(d18:1/23:1)_feature1 C41 H79 N O3 634.6129066 633.6056 Cer(d18:1/23:1)_lp_a 6.893 Cer(d41:1)>Cer(d18:1/23:0)_feature1 C41 H81 N O3 636.6286566 635.6214 Cer(d18:1/23:0) 6.962 Cer(d40:2)_feature2 C40 H77 N O3 620.5971266 619.5899 Cer(d40:2)_lp_b 6.753 Cer(d36:2)>Cer(d18:2/18:0)_feature1 C36 H69 N O3 564.5345266 563.5273 Cer(d18:2/18:0) 5.505 Cer(d36:1)>Cer(d18:1/18:0)_feature1 C36 H71 N O3 566.5502366 565.543 Cer(d18:1/18:0) 6.317 CE(22:6)_M+NH3_feature2 C49 H79 N O2 714.6179866 713.6107 CE(22:6)_lp_b 9.192 CE(20:4)_M+NH3_feature1 C47 H79 N O2 690.6179366 689.6107 CE(20:4)_lp_a 9.391 carnitine_feature1 C7 H15 N O3 162.1122266 161.105 Carnitine 0.745 Car(3:0)_feature1 C10 H19 N O4 218.1383566 217.1311 CAR(3:0) 0.752 Car(21:2)_feature1 C28 H51 N O4 466.3288566 465.3216 CAR(21:2) 2.559 Car(20:4)_feature1 C27 H45 N O4 448.3413266 447.3341 CAR(20:4) 1.738 Car(20:1)_feature1 C27 H51 N O4 454.3883566 453.3811 CAR(20:1) 2.304 Car(2:0)_feature1 C9 H17 N O4 204.1227666 203.1155 CAR(2:0) 0.749 Car(18:2)_feature1 C25 H45 N O4 424.3413266 423.3341 CAR(18:2)_lp_a 1.761 Car(18:1-OH)_feature1 C25 H47 N O5 442.3520266 441.3448 CAR(18:1(OH)) 1.722 Car(18:1)_feature1 C25 H47 N O4 426.3571366 425.3499 CAR(18:1)_lp_a 2.036 Car(18:0)_feature1 C25 H49 N O4 428.3729766 427.3657 CAR(18:0) 2.283 Car(17:1)_feature1 C24 H45 N O4 412.3414266 411.3342 CAR(17:1) 1.853 Car(16:1)_feature1 C23 H43 N O4 398.3259266 397.3187 CAR(16:1)_lp_a 1.642 Car(16:0)_feature1 C23 H45 N O4 400.3415166 399.3342 CAR(16:0) 1.966 Car(14:1)_feature1 C21 H39 N O4 370.2948466 369.2876 CAR(14:1) 1.265 Car(14:0)_feature1 C21 H41 N O4 372.3103766 371.3031 CAR(14:0) 1.527 Car(12:0)_feature2 C19 H37 N O4 344.2789466 343.2717 CAR(12:0)_lp_b 1.13 arginine_feature1 C6 H14 N4 O2 175.1187166 174.1114 Arginine 0.806 adenosine_feature1 C10 H13 N5 O4 268.1034666 267.0962 Adenosine 0.763 3-(1-pyrazolyl)-alanine_feature1 C6 H9 N3 O2 156.0765766 155.0693 3-(1-pyrazolyl)-alanine 0.827 METABOLITES_END #END