#METABOLOMICS WORKBENCH araskind_20170605_140831 DATATRACK_ID:969 STUDY_ID:ST000688 ANALYSIS_ID:AN001062 PROJECT_ID:PR000487 VERSION 1 CREATED_ON June 30, 2017, 2:52 pm #PROJECT PR:PROJECT_TITLE Biomarkers for different types of Multiple Scelerosis PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Biomarkers for Secondary Progressive and Benign Multiple Scelerosis (MS) PR:INSTITUTE University of Michigan PR:DEPARTMENT Neurology PR:LABORATORY Mao-Draayer Lab PR:LAST_NAME Mao-Draayer PR:FIRST_NAME Yang PR:ADDRESS Ann Arbor, MI PR:EMAIL maodraay@umich.edu PR:PHONE 734-615-5635 #STUDY ST:STUDY_TITLE Biomarkers for different types of Multiple Scelerosis (MS) (BMS vs SPMS ST:STUDY_TITLE lipidomics) ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Metabolomic Analysis in Secondary Progressive and Benign MS. Preliminary data: ST:STUDY_SUMMARY We have conducted whole blood cell microarray comparing gene expression profile ST:STUDY_SUMMARY of 20 SPMS and 13 BMS patients. The data revealed significant increase in ST:STUDY_SUMMARY pathways involving iron ion binding, oxygen transporter activity and hemoglobin ST:STUDY_SUMMARY functions. Specifically, the identified down regulated genes are involved in ST:STUDY_SUMMARY interacting selectively and non-covalently with iron (Fe) ions. Heme has been ST:STUDY_SUMMARY described as a potent pro-inflammatory molecule that can induce multiple innate ST:STUDY_SUMMARY immune responses, and cause excessive iron and heme-induced oxidative stress and ST:STUDY_SUMMARY cell death. In the brain, it causes neurodegeneration. In addition, our ST:STUDY_SUMMARY microarray preliminary results also show a statistically significant increase in ST:STUDY_SUMMARY arachidonate 12-lipoxygenase activity in SPMS compared to benign MS. Specific ST:STUDY_SUMMARY aim. To validate metabolites and lipid biomarkers in serum samples from patients ST:STUDY_SUMMARY with benign and secondary progressive MS. Our central hypothesis is that the ST:STUDY_SUMMARY gene expression in various types of multiple sclerosis likely create a ST:STUDY_SUMMARY systematic metabolomic/lipidomic environment that leads to progression in MS. We ST:STUDY_SUMMARY plan to compare and contrast metabolomics in SP-MS to BMS patients using the ST:STUDY_SUMMARY innovative technology at the Metabolomics Research Core at the University of ST:STUDY_SUMMARY Michigan. By monitoring lipid and metabolite changes in SP and BMS patients, we ST:STUDY_SUMMARY aim to identify molecular processes and biomarkers of axonal damage for MS. ST:STUDY_SUMMARY Then, we plan to translate such metabolomic biomarkers to correlate with our ST:STUDY_SUMMARY rich clinical, immunological and imaging readouts. The goal of this project is ST:STUDY_SUMMARY to develop a blood-based test to differentiate SP-MS from BMS patients. To ST:STUDY_SUMMARY accomplish this, we will first identify the gene expression signature associated ST:STUDY_SUMMARY with of SP-MS. Then, we will correlate these gene expression changes with lipids ST:STUDY_SUMMARY and metabolite changes in the blood by metabolomic network analysis. Because ST:STUDY_SUMMARY metabolism is the final fingerprint of functionality and has been implicated in ST:STUDY_SUMMARY neurodegeneration, metabolomic network analysis can be used for refining the ST:STUDY_SUMMARY relationships between specific gene expression and metabolites and axonal damage ST:STUDY_SUMMARY in progressive MS. Ultimately, we hope to develop blood, CSF and stool-based ST:STUDY_SUMMARY assays, and use this comprehensive profile to predict susceptibility and ST:STUDY_SUMMARY progression of MS. This is a new and innovative idea, which will hope to lead to ST:STUDY_SUMMARY future diagnostic and therapeutic development in MS. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 45 ST:TOTAL_SUBJECTS 33 ST:STUDY_COMMENTS See Attached document for additional information. #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0017889 S00027969 Type of MS:Benign MS Age=67.0; BMI kg/m2=23.9; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017890 S00027970 Type of MS:Benign MS Age=58.0; BMI kg/m2=25.64; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017891 S00027971 Type of MS:Benign MS Age=58.0; BMI kg/m2=31.45; Gender=Male; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017892 S00027972 Type of MS:Benign MS Age=67.0; BMI kg/m2=28.65; Gender=Male; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017893 S00027973 Type of MS:Benign MS Age=58.0; BMI kg/m2=24.0; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017894 S00027974 Type of MS:Benign MS Age=63.0; BMI kg/m2=25.33; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017895 S00027975 Type of MS:Benign MS Age=48.0; BMI kg/m2=31.08; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017896 S00027976 Type of MS:Benign MS Age=44.0; BMI kg/m2=42.7; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017897 S00027977 Type of MS:Benign MS Age=70.0; BMI kg/m2=30.68; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017898 S00027978 Type of MS:Benign MS Age=73.0; BMI kg/m2=25.88; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017899 S00027979 Type of MS:Benign MS Age=59.0; BMI kg/m2=33.78; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017900 S00027980 Type of MS:Benign MS Age=53.0; BMI kg/m2=27.31; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017901 S00027981 Type of MS:Benign MS Age=60.0; BMI kg/m2=24.24; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017902 S00027982 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=Female; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017903 S00027983 Type of MS:SPMS Age=58.0; BMI kg/m2=32.0; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017904 S00027984 Type of MS:SPMS Age=57.0; BMI kg/m2=30.73; Gender=Male; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017905 S00027985 Type of MS:SPMS Age=35.0; BMI kg/m2=26.51; Gender=Male; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017906 S00027986 Type of MS:SPMS Age=52.0; BMI kg/m2=34.0; Gender=Female; Race=African American SUBJECT_SAMPLE_FACTORS SU0017907 S00027987 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017908 S00027988 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017909 S00027989 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017910 S00027990 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017911 S00027991 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017912 S00027992 Type of MS:SPMS Age=59.0; BMI kg/m2=22.47; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017913 S00027993 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017914 S00027994 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017915 S00027995 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017916 S00027996 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017917 S00027997 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017918 S00027998 Type of MS:SPMS Age=49.0; BMI kg/m2=26.4; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017919 S00027999 Type of MS:SPMS Age=46.0; BMI kg/m2=25.0; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017920 S00028000 Type of MS:SPMS Age=44.0; BMI kg/m2=25.1; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017921 S00028001 Type of MS:SPMS Age=61.0; BMI kg/m2=19.68; Gender=Female; Race=Caucasian #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A004 - Shotgun Lipidomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A004 - Shotgun Lipidomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area normalized MS_METABOLITE_DATA_START Samples S00027969 S00027970 S00027971 S00027972 S00027973 S00027974 S00027975 S00027976 S00027977 S00027978 S00027979 S00027980 S00027981 S00027982 S00027983 S00027984 S00027985 S00027986 S00027987 S00027988 S00027989 S00027990 S00027991 S00027992 S00027993 S00027994 S00027995 S00027996 S00027997 S00027998 S00027999 S00028000 S00028001 Factors Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS CE(16:0); [M+NH4]+@10.96 6126.567586 95373.24585 12430.34952 96553.66945 58457.0193 9180.554687 6779.102095 6900.591976 6563.051733 22854.61944 23846.6535 23747.2352 40067.24612 24719.03877 34555.61925 7717.468434 25834.46915 30838.57277 2576.04264 19760.79599 26021.72708 5639.749826 16168.39616 13564.99996 9343.955885 13804.25481 39932.65841 5609.09857 9755.185059 103734.0086 49559.45451 47666.20142 25991.30556 CE(16:1); [M+NH4]+@10.67 21726.44331 5073.737723 6594.965339 6152.01518 4762.601192 10045.70284 33288.62428 18756.34126 15657.88505 13274.63516 12876.98451 6637.478429 5746.436244 11240.32407 6997.772723 16391.67895 10357.17582 10001.42464 37184.82099 9556.043977 4967.449916 14305.91372 12418.83684 12372.63048 6427.670589 20259.38553 3859.609933 22658.29064 16458.31389 4948.638665 4636.102923 4490.925244 7095.939906 CE(18:1); [M+NH4]+@10.92 102544.4615 175710.111 130990.2714 120475.3335 102278.1346 119633.1409 188165.2477 116801.1122 244911.4895 128964.4147 106125.6098 96331.43863 109373.5041 118987.3212 157845.4518 184928.6825 139786.7654 161825.7757 158327.3604 171979.4057 181329.5653 115495.1426 102423.5184 125149.9393 100357.3151 160342.8256 107398.5423 117442.3557 197426.2359 177240.0924 124788.8208 148053.8503 152871.507 CE(18:2); [M+NH4]+@10.65 1128591.174 1266584.868 926183.3943 1263477.161 1115613.609 961809.7518 1159754.742 772790.3946 1314834.075 1270818.508 840374.7236 1112125.54 823045.8155 1140903.372 1048775.021 896353.9716 779572.7247 1000485.797 921998.9696 1087055.09 1123331.663 941553.5093 544662.7103 656690.9467 686509.6097 536551.6987 671756.5502 601046.7054 725466.2943 734453.2263 779214.3709 699004.5 806209.0062 CE(18:3); [M+NH4]+@10.50 32375.9809 119485.6028 44092.92911 129067.8024 56452.04239 40682.72089 55459.83628 86949.30674 44201.03968 31128.68895 67445.5871 94244.63253 80671.75313 52715.40444 45223.32354 72837.00936 160920.3287 106638.1423 88152.29988 67071.56323 75168.93267 31634.7652 30205.23918 60507.94673 47259.45897 55712.03722 66969.83643 41656.17235 65461.68914 83145.4988 51071.68559 21982.14775 44040.40296 CE(20:3); [M+NH4]+@10.78 49192.13056 58022.5716 56899.59984 75936.67376 56938.3588 31102.87198 56540.40536 39526.54325 79699.74476 70331.25162 56241.81953 45068.24787 52620.1828 71963.47357 61005.4323 54434.08046 60523.45439 76465.7471 63461.75119 84011.5645 95244.87565 47521.56038 84866.1451 66687.98492 61646.19897 38693.62939 46023.41344 59794.49402 44508.14881 80759.3049 86087.27891 69908.40489 56399.25649 CE(20:4); [M+NH4]+@10.54 97692.06371 304648.5114 115417.7338 288506.9877 233996.1767 73310.97344 109963.9938 109179.6499 184757.0361 178184.1871 167866.9416 185440.5178 210245.364 177229.6998 367643.9602 177077.1324 189980.714 321913.5153 130623.1921 260563.7975 443883.6234 107716.4915 271314.8961 175072.4334 136236.2039 105741.3491 127488.0994 154546.0628 179550.6254 210161.7752 399683.7868 495228.3079 287783.9223 CE(20:5); [M+NH4]+@10.39 19384.53064 409232.3189 6549.328948 37680.34737 24869.13787 9521.276923 15170.71906 12867.28287 19317.79773 7296.019961 20638.43235 29104.89087 35454.20042 27630.58663 152961.071 16331.67499 37610.31317 43448.13144 21302.3084 51895.29115 55920.58743 5439.071043 17056.80906 24381.77101 9560.345936 19672.64937 25117.30562 12933.23433 33519.04542 49239.07808 27622.51132 18931.8088 19989.33993 CE(22:6); [M+NH4]+@10.50 41822.65348 161419.4445 16150.01556 60289.67786 31067.28742 15601.96084 27365.39045 24624.78132 25452.05208 18576.6552 19569.9662 40128.38593 32254.30852 23480.39089 173547.6975 28331.22838 46917.05776 73335.0921 13767.49712 72599.51239 128906.9793 9691.25306 47575.21506 18640.63453 25649.49683 18866.21137 43349.51939 38207.20207 83726.65312 40136.81513 63884.22406 75619.60047 98393.5079 DG 30:1; [M+NH4]+@6.88 3359.31535 1330.907387 1076.12947 3405.431538 1017.342754 6618.517743 5169.38439 6686.821223 417.0366275 2547.101526 2513.664663 3729.611326 1937.730196 1097.113347 638.540368 7029.026247 2090.88126 420.8761835 3251.83951 1022.529953 969.1085314 1423.582023 1204.122809 5451.191023 1033.98423 2327.815757 2005.083164 1375.01906 747.5312601 310.2407314 1747.1099 937.6800265 3842.636128 DG 32:0; [M+NH4]+@7.94 10921.06734 1663.320263 8771.276731 2471.009228 1168.400469 23814.54712 18771.82782 14020.63145 4762.692636 3953.90477 9898.299489 6673.986323 2843.757272 5730.66504 2092.11288 15758.65592 6890.939903 8329.676975 39804.7506 4575.386642 3081.116368 28739.1145 6088.135148 12057.19307 6948.493329 13502.91177 5069.955332 11700.19915 6724.272097 569.7876867 2619.687959 3401.470603 6761.777955 DG 32:1; [M+NH4]+@7.49 8482.018096 23134.87087 19981.08314 16223.10674 15001.44782 17725.62458 13780.76861 15130.39714 12343.61691 15200.21234 12245.40454 15785.58454 11510.41863 12876.18589 12865.1848 11462.5167 14691.57715 5401.436074 9089.343526 3087.507932 14064.6858 7100.914175 9263.263336 15456.99216 9517.970036 7238.359558 11975.5012 8512.456821 7439.341243 10488.05478 9747.203739 3483.726305 10724.3153 DG 32:2; [M+NH4]+@7.06 11712.07545 867.0063988 12058.65683 2283.014056 4406.438134 20156.28071 25700.82244 12005.18614 9143.619581 5538.980886 7186.972436 18374.14657 1922.798024 3579.953361 841.7774276 16145.16296 8470.431574 3517.005082 10808.6557 3767.459324 4935.098884 15907.92136 958.0244287 5371.574713 10065.93124 7089.571586 3284.098449 5696.168105 2533.089645 958.3895712 3429.450842 1011.603293 4255.846225 DG 33:1; [M+NH4]+@7.75 5484.743591 324.9414361 4041.135006 413.171905 569.2677334 13708.73947 8429.455386 3577.733329 5415.742675 1933.685551 1479.66626 2411.005308 1770.340076 834.5000007 251.2565796 10524.68287 955.0959369 463.5088083 11334.80964 1137.006148 529.0361245 18322.93868 1145.597706 1305.984762 8664.189074 4165.308874 1089.509501 3657.661315 1178.982349 480.5104074 174.1538437 322.064526 2921.6918 DG 34:0; [M+NH4]+@8.41 17974.65596 2178.127479 5904.853234 5222.309565 7959.942819 24077.3537 19430.87829 8318.277354 6529.0638 5155.881296 13653.03767 6800.995742 4019.147294 6002.260121 3848.35589 14341.03401 4528.361099 4538.362754 28519.23266 2622.166277 291.8916444 16826.51182 4545.320307 11374.12709 6110.653541 11280.98512 2254.576746 9893.705762 3593.989356 2474.30367 3228.925373 1907.518805 5351.084578 DG 34:2; [M+NH4]+@7.60 92178.77744 8975.838428 47768.07177 26041.84694 19982.72437 134868.4382 100616.5671 62895.16226 86135.29953 65791.74528 48179.71297 49923.41439 20329.1792 36850.3533 27358.35482 112355.5793 29485.16155 35600.86667 141036.0379 52573.93092 46855.47108 213804.3044 58040.44951 70946.79162 103011.7415 68826.07514 43428.48843 139044.1833 37787.66988 12057.43299 12445.63496 29216.4838 47134.63734 DG 34:3; [M+NH4]+@7.18 34859.95466 4552.172428 26799.48974 3277.476106 3100.894215 29804.84903 103578.3533 26099.72687 17271.98032 16592.76869 7706.121594 12184.4374 19977.99901 4263.324815 2862.642964 108148.1367 4350.4917 11214.56997 68762.1527 20953.17316 5017.738945 133946.951 40707.80895 15499.77852 25065.03915 22161.30831 7920.191543 114629.2524 19376.94328 3128.495594 4274.909638 3121.948967 19461.37845 DG 35:1; [M+NH4]+@8.21 5724.472116 658.0080647 3081.951434 2756.995377 1492.233882 5791.627748 7022.517013 2595.637442 1780.131147 5247.39567 4059.240311 4861.377128 2013.773875 1290.207967 1262.109239 6759.318183 2651.20872 246.9589049 8553.659441 950.2401685 1627.777369 6043.075867 1821.736538 3622.852026 9592.559272 3669.505482 3173.417452 5990.630476 1995.663061 2974.148585 895.0513044 893.2135153 3142.235145 DG 35:2; [M+NH4]+@7.83 3526.336768 787.8728574 2375.964557 1190.569814 918.1799477 6055.143733 3855.103957 2191.334267 2668.57528 2350.474894 2464.981552 1216.127669 927.7431666 571.2778052 1765.938581 7726.938039 2337.867381 1360.423835 8970.001222 1935.949187 1134.160048 5509.454842 1391.411704 3014.440156 8549.192476 1988.732133 1528.306797 5911.773468 952.0783771 510.5663821 405.4110547 564.5229823 1669.697159 DG 36:0; [M+NH4]+@8.89 5143.664484 4707.147822 3954.569069 3679.941014 2657.813439 7294.182341 8397.282443 4761.939107 5399.655887 4482.666264 3919.228892 4134.19576 3831.338577 4099.788703 4552.406458 7846.679217 3182.23967 4304.63961 5515.078407 6025.026409 3641.914196 8467.140297 3302.903854 8657.676719 6415.479369 6028.059898 3728.135375 7090.739434 6341.502172 3645.682128 2444.128944 3332.611221 7566.634429 DG 36:1; [M+NH4]+@8.49 18547.9659 54606.30742 13695.05377 35003.05172 22662.56832 28558.49528 28236.30458 20072.16098 22618.14621 27236.57255 18711.82526 27686.27529 45707.22842 22556.80251 22095.92139 19088.49942 19429.34455 20636.10628 17314.84689 21211.88197 11057.24543 14148.83967 11810.66588 24200.86952 20058.31311 29853.05458 13334.33633 35787.60737 18948.1623 20849.26742 26256.42407 18858.80443 25134.33925 DG 36:2; [M+NH4]+@8.07 307146.3922 28577.62121 125863.8038 38697.55248 48186.58815 170327.4469 191409.2166 121074.9295 134440.8463 172412.8035 85951.2681 112185.1003 67751.82576 86120.82999 76754.65553 220175.6842 55457.5205 51649.77551 236528.2315 79269.97759 60001.27984 287342.6214 77780.96472 129650.3493 222173.7096 131232.9174 60043.47756 374034.1591 87399.16586 31185.76648 22122.73421 43064.22203 85260.18022 DG 36:3; [M+NH4]+@7.69 308042.0037 32072.14534 146690.1187 67739.19857 58719.65038 333912.1703 220790.0856 112992.4839 198622.9931 216560.6439 76648.45034 107527.1783 86908.27407 109572.32 103838.0245 183891.648 46905.38769 79173.70067 158483.0984 115475.4081 103651.6538 401511.3903 108981.2599 140310.724 239238.688 147577.2273 82608.23148 438562.9863 74059.86207 24003.29489 39052.67033 79076.69805 163138.0231 DG 36:4; [M+NH4]+@7.32 113503.7556 12341.37516 41438.68782 34506.28519 16514.38869 99597.24532 82512.45607 25490.75997 63595.95323 99062.77163 25684.65447 45153.72897 24049.26206 36140.05131 24741.77474 55013.23893 25444.34351 32953.30901 59177.98371 41344.80426 62431.88813 117991.1036 78987.18878 52114.07606 119722.3345 123439.4651 41840.8305 155105.7094 24234.75601 14339.3239 31002.71833 49102.84336 65828.2127 DG 36:5; [M+NH4]+@6.93 28661.18283 5219.886363 7438.248963 7059.202502 3116.114786 13962.57617 8161.537568 8227.077249 15811.57948 10422.48049 7091.542041 10330.11164 9842.494515 8061.231003 11438.96718 12493.58657 11320.42006 8813.812362 32532.66261 11041.56301 15274.56295 18064.51636 12560.28087 5912.996105 12958.44128 25671.54783 7312.632676 20382.9115 3258.338717 1306.376739 7871.236952 4511.461135 5962.488022 DG 38:3; [M+NH4]+@8.20 9597.241545 3542.383259 8562.185935 1646.960043 1353.708065 7596.785393 23368.65982 9713.751587 5898.391601 7757.876834 2694.227625 3960.482646 14775.75502 2947.755978 1336.424121 37156.19049 1298.726269 4951.31545 21354.98935 8544.161373 2682.534955 38870.78563 5813.64533 4264.311637 5581.27954 6664.958124 1460.844307 64891.02788 9166.124262 1572.20237 994.653554 2122.817267 4320.666296 DG 38:4; [M+NH4]+@7.92 9342.996269 15875.8347 12633.33096 22265.93813 19421.49493 6938.640161 5451.873886 5181.35365 14471.03774 15891.02067 7891.917384 10214.93217 28505.38037 10651.99002 25251.69032 10844.5287 24189.08015 7401.949964 5418.2462 10997.50816 24907.28124 4850.021058 16513.44942 10518.85129 7765.442127 8758.731107 7476.18107 9504.232103 6331.250761 15366.57718 20103.47213 15433.03551 17475.5806 DG 38:5; [M+NH4]+@7.67 39491.12871 7827.343643 11365.33954 9795.728335 9499.723463 29468.95773 17657.87423 15191.93213 27688.7257 23952.51603 12332.71391 20818.97232 18666.28453 15002.86483 20142.59634 43507.5683 11936.42505 14085.37145 68078.58362 28108.55367 24124.04388 29929.2971 21578.6583 21308.93787 18428.5028 16355.67765 8629.917982 51173.39101 13113.05365 7897.005823 9861.502055 14744.38552 14722.84494 DG 38:6; [M+NH4]+@7.28 21510.9121 16505.13099 5159.010262 5158.640386 3568.90535 28986.64979 11713.44692 5867.738629 13184.35413 20814.6026 9989.977353 14331.46712 14119.72432 9306.906046 9375.95234 13466.84254 6870.339774 8784.583147 39655.45419 18106.04032 26271.8364 17002.23462 22035.46145 10508.50456 20863.70719 24964.70251 10347.52095 22970.46207 9165.278081 3122.446194 8277.671249 15653.63303 13396.45082 DG 40:6; [M+NH4]+@7.74 6131.02184 3189.262215 4831.955548 4114.628323 3333.051804 7145.686842 5535.498757 1871.213937 7106.941989 10951.61209 3397.700411 1898.62017 3722.966771 4716.904682 4920.944378 9993.205046 2601.88167 3239.202539 5166.038893 2291.618012 5125.333939 8744.922883 3492.786812 4599.155828 7343.8969 6136.519327 1808.855422 8831.53999 2621.351221 653.8232971 1611.480226 3054.786787 3532.01006 MG 17:0; [M+Li]+@3.16 47311.0996 37183.33558 46883.45537 50669.55784 56346.00672 50834.23437 45322.22 50634.68401 48082.61122 50635.6082 46383.60787 47375.50699 47638.09545 52069.80395 56409.7486 51116.86735 52399.04379 53046.04123 47513.36238 56658.17919 48035.39411 41899.2619 58562.45288 66232.64482 51101.12249 54460.62674 56713.22408 54981.43033 49893.03801 62993.34381 59705.67876 56498.13677 52708.96319 PC 28:0; [M+Na]+@5.34 8155.851549 2183.545401 13322.23162 16480.28145 3981.718995 24601.64524 41414.14473 30294.57173 7517.369071 8469.061463 8726.163756 38785.02081 6886.089779 3185.947229 2343.381861 34908.95323 8641.891688 10607.06939 13400.99828 4156.326404 2656.384759 9188.714159 3350.385188 13523.09139 7461.551211 13600.19557 2044.416569 8564.715211 5493.348159 3498.292718 3357.153386 373.6145544 11808.83005 PC 30:1; [M+Na]+@5.54 14607.89369 4840.069332 22363.45119 29394.23061 26182.59902 33159.95329 33410.84472 45582.18142 15854.6664 15040.39839 19727.55575 64547.92782 13543.5696 30039.24417 24447.83685 34664.32364 48560.52644 25032.87187 22002.08923 20804.73922 10049.83532 6305.881939 4851.859002 31432.67255 11958.82867 14177.02226 9704.03959 10447.38437 7478.136124 9931.904161 10855.7582 4816.169839 8247.278106 PC 32:3; [M+H]+@6.09 27003.74701 14311.45932 45637.99351 25494.78616 31582.27147 31677.65147 60458.05321 77786.8852 28614.72861 15126.93284 55798.93645 44176.03152 31984.16163 36001.21707 23676.38422 66037.90631 37792.91426 65734.54656 34423.90425 30342.98146 14442.18721 24321.78389 32060.26812 46884.91185 26411.76445 23577.72236 35059.57909 14709.12942 22426.73902 40307.20243 25045.22483 16677.45044 33092.43716 PC 33:3; [M+Na]+@5.71 4900.263013 3236.012543 16419.99732 5376.139155 4379.756062 5257.579362 5792.594265 4930.949692 5792.512358 5872.490352 6753.146747 9870.386564 5910.698188 3852.144913 2680.295369 3711.380756 4691.130648 4111.35955 5875.07985 4129.573358 5445.191293 2613.724504 1961.959339 7646.546792 7071.539575 4713.362995 4167.838505 2903.883764 1871.690265 7402.694632 1344.121558 2873.010348 6747.945965 PC 34:4; [M+H]+@6.18 35062.62875 7464.723259 32679.52247 26022.45227 30184.15428 31391.76612 39817.67902 67283.00029 26579.35009 27756.74179 33340.69987 43750.24355 24746.47431 46819.6092 26146.46223 51893.71878 65704.73221 28816.12855 44568.01029 27419.17851 20828.43093 20844.58485 21772.62991 44029.82987 27962.46922 37147.53418 24641.15748 38979.99324 14172.99034 37897.69916 18217.83568 11904.36189 23667.69963 PC 34:5; [M+H]+@5.57 169516.8775 91470.8907 137996.3483 208999.0223 141700.2742 190908.5228 219765.523 189382.6386 150344.7659 164899.8151 132636.8853 261080.9677 135877.1458 193602.1907 138192.3979 158275.3207 184281.6032 155305.0415 108537.7063 123137.2227 129063.279 136319.8351 52397.29916 167651.5373 155675.4528 152150.0863 102045.2854 124442.653 97227.96866 128538.3054 108852.2969 39355.88733 141700.3872 PC 35:3; [M+Na]+@6.18 59195.82518 12512.90158 78640.90206 20590.66492 33815.58908 58611.68001 17953.95824 38314.23291 107185.0321 53302.74739 33529.57967 46684.03749 9766.834018 21538.42918 24310.39444 115853.2588 17831.22585 44610.63553 72998.85573 38061.73634 20547.35533 118380.181 57321.09548 46908.79558 42853.13601 52724.76707 19098.95322 21570.87755 18384.25246 19172.78519 15954.23934 20569.22654 88352.17036 PC 35:5; [M+H]+@6.10 62645.60027 25113.30423 62655.52622 52387.63703 57021.36564 39715.65295 58927.39849 35143.25576 57301.48446 66454.49785 43657.12362 54287.68139 42871.81746 51887.00241 26442.68722 52140.19717 17097.99811 34861.27192 38653.42523 36993.93682 36557.4897 53809.93424 34087.78972 35072.97258 39207.95734 49104.86772 46105.47985 35683.69022 25033.4281 47486.66995 26377.94399 30508.89259 71811.0301 PC 36:4; [M+H]+@6.02 7526014.736 59930479.57 15148137.89 64741374.62 50872895.86 8647622.26 8109087.81 14600660.92 15640783.94 14075191.41 15306566 20856822.57 61692046.07 25193411.35 56175032.01 12028239.66 36899141 38440841.7 4151279.832 25518626.31 55036938.65 5402242.021 30077048.93 17385658.18 10385075.26 15676378.09 20087184.46 9255421.984 10962523.56 129967843.5 170240579.9 68455692.05 27935331.73 PC 36:7; [M+H]+@5.58 86808.83123 24460.62463 51714.8794 68546.30706 55088.69442 56290.62951 66454.34747 74814.10124 55260.8884 66868.20057 55739.83365 83832.57264 78427.03371 88848.7192 53803.61948 78509.75128 93187.35449 99458.20534 62633.55378 68097.23019 85126.27817 50150.38333 38862.08837 94702.41037 62816.19586 55596.49116 44922.97563 69820.07607 29005.55997 78081.4962 56059.95428 27153.18386 53771.17211 PC 37:5; [M+Na]+@6.08 5853.229627 5685.058323 13309.66766 2920.218731 2833.766926 5407.810276 16904.23115 5372.777039 8218.477423 3215.315524 4051.448389 4326.283246 7416.575373 1677.49356 5683.048753 25306.59707 7361.318919 3523.997847 15118.18741 5077.054896 5434.507784 7228.866917 9823.044952 5214.242817 11693.9256 7572.089389 5202.737604 20263.2606 5477.65474 3815.602313 4237.870206 3900.303548 15764.32062 PC 37:7; [M+H]+@6.04 19241.27332 3549.15475 18064.976 13322.68644 32725.67871 10415.11306 14418.13358 14543.13984 15344.79241 10102.12097 22229.1966 20217.69336 21541.93609 27849.18502 15791.66316 13341.36009 12763.12624 17611.26823 11423.57101 9301.859857 17678.7614 11061.72592 24496.99541 11268.35683 9743.142895 9128.396287 19826.79047 18858.36222 9865.586621 25292.94762 14916.81622 18932.86442 26091.70565 PC 38:4; [M+H]+@6.99 14215489.18 5685936.764 9936905.741 12496273.32 13756365.41 10948291.91 10486646.09 9953228.36 13226641.7 12831378.37 11133685.36 9703756.049 14436704.16 13702351.18 18603339.98 15426471.11 12398747.65 13261025.5 14166864.9 16041281.21 16709937.69 9758780.878 12217161.15 11297757.31 7271059.718 6130370.52 5901228.904 9498107.431 5140938.695 10630807.63 10089036.46 13424839.41 10762858.95 PC 38:8; [M+H]+@5.94 162082.8166 218210.1719 165112.6305 171530.057 206943.6714 182542.625 87848.28358 91072.42509 157093.2861 109115.8963 98297.31789 163822.4583 226865.3806 121714.302 336878.1416 169687.9859 261616.6888 109981.2871 199611.3374 114458.61 151288 137090.6743 103746.0752 195215.6956 153294.7182 138439.4959 135341.483 123202.5785 97677.5721 115043.3162 128273.9226 94470.295 118913.1895 PC 38:9; [M+H]+@5.57 13499.28269 465036.7246 22725.282 134006.9563 83754.05642 9284.780269 13604.20912 15682.24092 21540.68396 19305.04937 20516.33645 49667.55398 104885.3609 31422.82281 93810.73259 14116.39343 43488.62093 116881.2985 4211.615728 46778.31819 72594.32996 5688.066312 23922.09085 35588.07103 14387.13018 29849.38708 28671.26358 12467.30512 25253.51344 172598.968 191307.1769 32740.72462 46156.96319 PC 40:10; [M+H]+@5.65 30474.61836 102556.7619 24768.90325 25430.16506 35387.55718 31209.09068 25716.01594 25776.65714 38777.08254 39038.02494 26147.9924 36061.85698 45871.54113 22335.56127 77611.18524 45769.57178 40138.95145 38123.30542 32065.557 40641.68205 51295.54371 33207.09645 30675.03848 47550.08613 27017.56465 49668.82164 34947.97493 41502.35252 71995.23728 33056.36667 46321.58862 28824.27992 41324.58339 PC 40:5; [M+H]+@7.69 77240.33165 39637.88211 58567.67077 69053.08256 59105.23894 121091.0135 70255.96227 77295.23814 65697.3075 95657.34729 65528.0316 52777.67705 68230.19765 63420.04415 77443.84925 77328.73682 60235.13045 51481.63006 97652.58337 42116.70158 57905.71358 53622.86261 22673.85995 66448.77142 52870.19166 43640.87621 34027.89978 64050.58503 25994.9571 42458.51385 42546.37033 30901.58519 46204.56812 PC 40:7; [M+H]+@7.69 3547.572693 58419.15723 6303.052511 39801.76611 21969.77756 4111.804443 3822.185701 6542.189015 10447.07384 13666.52137 5122.336679 12356.57415 39185.77242 14781.12773 33046.68916 7287.189933 5388.427805 20956.27337 2031.242259 14215.9096 20719.0661 3081.096919 17342.832 8126.609873 4561.906181 4515.279801 5529.629193 6439.752618 17620.17304 44826.19545 87923.63972 63095.65493 18441.97831 PC 40:8; [M+H]+@6.64 9986.834823 348816.335 39986.56424 141780.5827 160081.3214 10509.30295 15460.03852 25841.59732 31767.05417 36977.32299 34167.64874 44564.44917 159573.4554 32440.17881 119788.3977 24190.55822 68481.96836 93059.93775 8498.315657 61781.79584 66013.86689 5988.173458 71155.95924 40068.48153 17068.74648 31282.75549 46306.37055 12598.62384 22643.16467 262982.0176 267017.6254 159299.371 72580.28922 PC 41:4; [M+H]+@7.81 11733.13101 9711.990676 16835.66747 15356.73632 13380.26454 17016.16602 8466.319631 16377.40935 7330.734133 17718.56757 10399.00983 11372.05177 11515.9515 10524.0892 17624.05336 17404.62807 18263.27878 20754.02902 17857.83972 6956.699151 12717.18627 9241.515976 10726.19664 8694.374865 13733.99467 8136.87957 8974.563975 10808.49898 7032.664971 10871.8058 13455.0742 6504.086746 15109.82204 PC 42:11; [M+H]+@5.86 5284.115648 102662.7781 6826.118977 34249.86336 20853.08006 4687.368043 3406.196042 9988.914741 8328.919535 6994.231885 4011.504453 19917.48911 40442.42451 17066.46999 35814.93207 3656.697332 21312.78328 14412.13841 2689.202635 12502.47198 19038.2397 2239.26897 10117.79268 10982.47034 6444.906523 11550.02217 13917.81967 9851.730989 11683.29663 25480.02619 76251.30634 25605.35508 17601.76759 PC 42:4; [M+H]+@8.20 20645.74421 14521.3718 19395.04168 4278.430447 4841.002316 12263.01878 63683.24316 23702.70799 5165.212303 26727.86754 3098.176423 10112.80361 29815.41681 6998.405601 12636.02607 73974.66243 9205.013549 14169.44696 44496.03761 17133.06292 2854.141874 42975.67741 21297.65798 16924.40964 7568.058269 11479.00137 6382.490764 67115.56269 21652.18108 9701.039275 9811.743842 6588.050024 17304.12235 PC 42:5; [M+H]+@8.27 9204.283706 5972.617856 10306.39295 3503.624043 2504.267885 5910.486253 3020.006604 4449.506253 5379.310687 7041.511302 4297.984209 5581.051947 8618.661935 3223.695785 3876.534153 11168.19924 2915.305501 2774.995675 15271.98951 2185.307315 3802.925677 13671.20243 4232.018179 7853.303298 6451.718987 6496.694091 2996.983922 15942.51777 5865.816286 1656.576758 4249.556221 2213.66935 8197.739686 PC 42:8; [M+H]+@7.10 9485.16567 8966.266349 12115.10653 5711.150663 8226.52896 6277.232347 70543.16834 29492.77486 10985.26681 10380.12304 5212.831155 8930.964857 38316.49362 8913.877151 7506.519472 78870.77512 11090.85614 8880.018917 20628.91278 20479.24245 7119.318378 34579.20347 24321.14211 23956.4387 9191.000134 7330.726543 3661.873405 56420.60355 9373.352011 10669.97491 8194.084725 8138.845205 18914.25024 PC 44:4; [M+H]+@8.78 6693.517854 9109.297907 7231.597167 7221.092887 3075.142528 9068.240384 10246.13896 7186.608621 7391.523381 8775.58704 6824.758591 5039.765977 10216.33332 5448.939312 7723.25564 5936.297173 5613.879098 3659.860086 10122.94696 4172.869762 8172.785728 6143.502264 3723.207624 7297.153593 5647.078812 7849.563289 5671.95589 15662.51254 10556.966 6401.888098 13862.74244 4447.384517 8201.527721 PE 36:2; [M+H]+@7.08 666462.1408 111524.5667 137159.4931 186921.0447 86970.2406 465960.6005 246351.0395 261064.141 301145.0544 344888.7703 215744.322 351338.244 230856.857 289598.0142 139677.3222 126603.5337 179137.7455 167960.5101 402049.7976 204257.2484 231195.3774 307110.989 63212.97397 287174.2726 214835.1812 317825.6617 125505.9667 384914.9088 208656.3902 62124.03389 51494.02244 71739.97017 243296.647 PE 36:4; [M+H]+@6.40 289914.8471 26880.1487 97827.20213 32577.65151 30034.88361 155342.0478 152971.5215 149262.1203 212734.4226 110797.7461 67357.034 120580.9214 92036.46214 116669.6704 84602.60716 124060.6146 79471.30985 115470.8008 329855.5038 120984.6615 112147.16 247876.9585 73398.7927 131171.8733 102334.0188 118986.4992 42092.90351 318879.8393 125642.1979 21396.28292 16743.40639 86700.08131 188616.4217 PE 38:6; [M+H]+@6.25 87427.1497 979643.1326 73117.46477 287938.3837 131193.9223 42874.9691 18725.08081 56037.73757 123601.1978 63415.30636 85102.56837 109632.9904 425747.1822 147579.4181 285254.1882 24210.86257 91666.48084 403910.1543 25543.06276 217503.3755 268445.1534 25374.30841 89620.14439 71502.28915 47532.64117 91952.6425 83306.22034 71419.79279 120657.8094 204370.3627 396942.7359 254482.7584 283339.4364 PE 40:5; [M+H]+@7.11 121524.8331 33854.01095 9732.109552 52999.15148 53434.49505 35245.14695 67386.82948 27022.8581 89744.61446 78853.88538 23491.20667 76094.42297 71180.85049 91473.03243 56281.09842 31991.684 47148.17208 41703.28278 55608.57926 57901.22841 61860.62377 66097.60621 47264.77884 49628.78836 54929.10437 49137.58009 28556.6952 31246.60708 29334.97043 14961.04683 8294.694074 39411.64656 91676.22487 SM 21:1; 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[M]+@8.99 7196.109766 109939.7812 15726.76294 38195.27213 63338.00006 8962.093704 18752.79048 11142.36608 16303.34371 15605.85028 9013.377463 31931.0025 54301.73543 19616.41133 56812.01271 7779.318017 42318.3809 27014.61191 3653.30509 34723.52822 113906.7921 3243.897584 23539.15096 22487.97417 6378.724867 12705.38914 24641.54457 10076.70831 39297.8751 83794.64778 104002.7316 33959.63879 31124.2522 SM 44:2; [M]+@8.43 49397.9831 35047.91118 31818.94542 13474.68086 17121.02624 52902.48202 88772.42647 28089.8096 43619.58244 44200.81931 19692.56515 22817.59277 28446.88927 8273.078133 32312.56881 50348.66567 27822.78326 24644.10228 58493.72806 39262.49937 42229.87741 56986.35211 39626.91853 44875.83539 32000.61882 41024.56437 12089.95509 67981.47441 74724.41737 15348.51375 11574.22896 26335.80073 52748.21536 TG 40:0; [M+NH4]+@9.46 38540.85902 14071.50531 65801.38356 110077.2622 18475.19465 240709.8715 107410.8386 37706.31482 9732.680312 605579.0364 173214.8175 214111.6389 4822.295276 8484.308146 5138.8846 78153.00123 54993.45851 8744.884043 31587.49556 12174.5692 8774.432806 121317.5444 1960.14184 74882.4868 6292.308075 22763.57642 2231.584258 5089.933176 1221.21845 3745.820229 2007.676548 1630.387175 360977.2944 TG 40:1; [M+NH4]+@9.16 33149.98785 9747.212007 33389.45926 22160.64092 7140.863038 129802.4645 89348.62497 28953.62937 10429.93249 70373.61946 116392.098 133933.0836 3179.84944 5087.530734 891.9899112 20145.94619 54618.76345 3576.476764 98550.34124 6077.716243 7828.277942 76761.02398 1265.088832 78223.02508 4095.305108 18490.63698 1435.221187 9439.577356 1415.533273 2391.249477 2542.764377 208.7926212 21709.17277 TG 42:0; [M+NH4]+@9.75 77207.4093 13766.51964 86761.30144 86885.00596 20529.21546 254154.8269 236759.7398 117685.6234 16078.56617 482544.0842 227606.6844 401754.8167 9339.34911 14879.54984 4331.534335 105085.6842 78551.89127 12986.79863 45834.26029 13585.44414 11722.79879 164327.0526 2537.265641 171952.3246 12102.7503 47928.84694 3811.015443 20252.17267 6443.937065 10896.20097 2873.558649 1946.111213 516031.2312 TG 42:1; [M+NH4]+@9.51 65317.63531 10099.83644 99301.57775 134384.1869 25925.93262 289778.2863 193566.3163 93099.94149 28208.81368 377686.967 261825.2652 375500.0388 16361.90854 15239.13177 7129.475171 112617.7455 141905.2092 20723.66171 98671.82593 22536.78937 16074.79877 209273.8865 2658.387038 207896.5096 17357.10732 50236.12422 3662.138819 20063.4115 4793.364187 4504.646765 2929.139905 794.6963455 138603.9888 TG 44:1; [M+NH4]+@9.79 160323.0655 17744.16493 238160.4904 180196.4086 69786.81469 575641.8236 649494.0437 368577.5141 82223.43561 451868.0743 493955.1157 772547.3217 46862.04978 43141.28286 19677.64283 374306.7812 296570.0712 63313.78278 205789.7808 45115.19111 38120.09445 397450.9031 16593.875 505145.2531 50475.99775 132740.8165 19662.208 74333.58845 22465.41966 25111.37661 12833.36108 5808.765405 145222.7421 TG 44:2; [M+NH4]+@9.54 214987.284 10434.93807 159078.3355 213815.54 32413.85451 488051.5307 374771.9738 116390.6754 75640.64462 268150.6932 357542.0545 586312.0483 31576.95891 32161.0268 11485.73057 157335.8143 214634.0169 23903.42122 120682.2375 33567.26297 65845.9657 220971.3149 7968.124091 333868.3522 40758.95996 155523.0869 8710.753026 60652.19432 14218.818 14920.03944 11085.30154 3191.767909 105352.7738 TG 46:0; [M+NH4]+@10.33 129571.3761 29869.56034 149728.4489 79818.59187 61453.96876 448874.3098 479433.4382 317148.0051 36068.26673 289382.7655 398418.663 314927.4228 40980.03318 63621.70637 18435.48944 222096.0232 164351.0453 48757.19475 188236.642 30511.57384 20922.92974 258873.6459 5472.916862 230277.0943 66609.40315 147342.7918 20157.93638 59559.04873 36087.33059 27240.42277 18642.58749 10785.61193 160427.0591 TG 46:1; [M+NH4]+@10.07 388999.6502 37481.59732 422972.0305 478279.8109 211113.1024 1113999.998 1542828.891 1143528.726 202483.7888 1347121.605 853274.1481 1847240.384 116179.5337 177355.7667 82802.69584 1168573.709 479971.1353 190484.7748 522805.1307 130814.5577 76177.64513 639816.3109 30970.67874 630237.8506 134896.5309 223836.6775 56873.54058 142780.8595 67966.39941 54671.68767 49173.77837 16603.91064 239381.6798 TG 46:2; [M+NH4]+@9.82 544704.6012 26862.57765 332491.0668 546420.3491 124371.4787 893559.1334 1195457.822 645461.1211 263033.5837 804987.9061 626099.7706 1600692.089 102008.1769 137165.0258 95688.00269 775224.1 460861.4246 144365.3877 348370.2728 165392.4412 177136.0534 477917.647 43756.6657 870844.1633 201895.3226 266452.6495 57018.86483 296936.4568 66340.31211 54487.55334 56906.6616 22425.22792 293909.0174 TG 46:3; [M+NH4]+@9.61 184333.6795 31593.98626 241458.3575 148485.424 51182.7349 414923.81 395560.2992 174396.2038 151962.2234 214756.2606 269109.6934 408122.5377 67770.20443 51240.46322 34408.73502 258990.0617 217995.7551 61498.31982 139526.3766 75567.03083 115717.1033 243486.3073 25531.44625 410702.1354 89306.92015 188266.8445 22437.52855 98385.09264 22710.90494 21167.19255 26843.41524 15163.61935 80968.15916 TG 48:0; [M+NH4]+@10.56 395859.3807 28318.87604 132486.7709 102582.8127 101137.4981 511884.1888 471957.7697 426658.7698 125163.5285 410176.5175 645221.0249 455230.5359 48156.82257 199569.8507 41833.06922 269884.4027 390169.8302 39097.16758 380449.8253 56988.31017 64297.70245 241357.6207 37744.42573 562311.1892 116220.841 252738.8134 75362.03898 175275.497 68715.79466 63895.44569 27067.53399 50155.48237 164723.185 TG 48:1; [M+NH4]+@10.32 1348881.683 116959.2227 1100125.821 553411.9637 755995.2593 2692895.367 3346777.587 1794751.763 793530.0915 1067521.264 1637770.053 2450035.35 363796.0243 818196.4213 434917.9496 2567345.064 1587126.982 525057.4468 2008252.871 447239.9389 268450.8185 1358037.777 172177.7443 1655497.613 508060.1814 893931.025 273441.7408 432229.8904 317602.2463 187749.6308 154457.7848 114014.3627 469725.571 TG 48:2; [M+NH4]+@10.09 1662552.555 101113.3884 1549252.341 1071167.189 874271.2858 2422952.777 3675054.91 2010187.539 1277006.43 1436013.404 2366414.357 2959292.919 471516.2159 788039.5428 451629.8508 2642443.542 1259931.325 677638.9512 1671342.375 660094.6506 384017.7728 1848390.513 243192.8047 1788045.133 737578.152 979541.7905 312176.9934 758237.4036 343040.619 247044.0949 234328.5349 124349.8762 575807.34 TG 48:3; [M+NH4]+@9.87 1275266.262 50885.24858 1000561.529 510753.0434 209111.7148 2051694.339 3946102.771 931642.5519 1166123.264 1504332.773 795313.9569 1461318.265 305492.7462 236450.6916 155454.8217 2442277.845 507498.0095 279995.0858 1186072.486 409261.6518 277911.145 1962682.251 200969.9964 1493221.084 929236.3905 784664.7244 126297.758 1330735.87 216054.9495 61710.63943 117028.3449 48333.21276 633883.0098 TG 49:0; [M+NH4]+@10.69 27662.09526 6396.852674 22254.74845 10597.2544 10991.28078 58997.28279 70233.89814 38396.523 17086.24324 10603.8117 66639.56347 39391.31951 3826.241297 16222.85713 5873.775029 56140.07888 30465.77014 9330.52097 56833.35564 10707.82444 9618.953537 27405.23236 5391.198929 56992.20348 19062.17365 24560.97205 11017.17836 12053.33932 13034.82745 9148.308819 4157.023056 7983.098373 19654.1422 TG 49:1; [M+NH4]+@10.47 125288.7527 23284.39046 133529.7439 43168.77367 122182.353 238039.5902 290689.5055 146830.5376 82556.02713 69455.65498 159759.2087 207285.1753 31579.61584 76559.76417 39636.16411 277537.7831 149557.8801 41050.36407 278000.835 40458.71069 30867.38673 141892.0417 21991.24404 149147.0886 59008.60483 66416.63135 47007.1604 47406.47111 44372.90331 38372.25031 17647.9018 23285.97244 55151.03967 TG 49:2; [M+NH4]+@10.27 116752.8558 28688.46002 160745.4548 50111.27222 79852.42806 187527.835 243750.067 155766.776 91669.25758 74490.62089 142918.2277 185646.3574 42497.95273 58499.63292 44778.9449 293657.9089 114716.2881 61177.71087 215896.4183 67310.68854 43782.44355 143237.0937 50486.00949 293573.1656 108782.7849 90322.50286 59404.96614 87527.48562 62418.00885 51514.40405 35073.08231 26153.59973 96203.97652 TG 49:3; [M+NH4]+@10.04 136986.3241 27573.63578 107154.1744 36800.21015 81022.08054 183963.1844 180494.8685 76960.67008 105357.9892 69083.72018 83451.68669 126212.5198 42579.62041 46873.16092 37809.35403 161694.4706 98370.95487 45580.59644 126101.4526 39439.08566 49023.29425 99779.08833 22926.27156 124578.7842 68048.41812 43415.44715 32319.72876 59492.84641 29735.61975 22510.38776 20012.82364 17304.53589 50015.24681 TG 50:0; [M+NH4]+@10.81 739027.2532 43493.253 323038.1873 46484.85709 93044.10026 535322.2952 2007664.51 599323.5931 203634.8437 189098.8255 293392.2527 319604.8957 195534.6353 126128.3655 47410.17838 1454391.917 223130.5675 136727.7615 1242221.536 151283.129 43274.80679 1510202.231 117663.6981 554485.9826 171195.1114 285569.0077 83072.69 1196846.583 265814.4959 51057.50766 36081.74971 65407.13313 303756.6429 TG 50:1; [M+NH4]+@10.55 2589050.319 279419.9085 2117254.305 888937.8661 1178572.739 3340986.734 5246896.809 2871946.433 1785083.05 2293700.021 3379675.292 2695167.903 880450.7167 1997841.31 1396215.988 3673983.208 2660851.629 1384429.792 4680044.478 989856.2967 585644.4796 3932409.137 582940.1159 2512478.068 1105605.768 1699836.441 727467.5348 1438991.171 1055356.985 458303.3572 313311.5303 768542.8424 1298552.914 TG 50:2; [M+NH4]+@10.33 5112181.078 460119.8472 3609968.004 1652609.938 2649603.85 5982912.689 5886174.553 4240032.931 3292716.212 3184355.975 3380595.662 4030549.742 1488747.698 3126073.341 2907388.215 5930459.705 4229089.908 2169474.734 5544567.131 2586889.541 1143209.904 4641806.79 1340860.567 3992338.574 2262789.49 2576179.659 1464535.216 2405414.819 1825002.54 819930.3186 916761.6155 1091036.391 2056183.25 TG 50:3; [M+NH4]+@10.13 4564232.747 441213.6108 2795480.883 1789368.794 2578105.102 4964840.011 4957347.923 2566405.952 3601439.956 3170226.619 2730065.656 3290472.186 1215620.983 2385474.516 2119411.198 4290755.93 2549662.481 1794985.905 3620373.597 1955797.621 1442735.376 3481122.86 1134362.732 3144383.537 2301015.059 1714021.097 1320556.521 1998193.732 1304980.059 644611.8562 892183.4285 636087.9756 1423455.92 TG 50:4; [M+NH4]+@9.94 1168309.414 164420.6001 1236021.608 1012284.392 638600.8897 1961554.698 1894013.81 971138.0999 1485981.005 1204028.085 1131638.998 1207484.124 668024.5573 743878.7168 546452.002 1710879.985 1015582.397 711806.4997 1186765.241 758020.6881 745467.365 1700328.557 628551.5046 1709889.33 1304302.693 975006.8406 573372.6001 1065596.647 389384.5697 273657.4853 515318.2244 242094.2809 706625.7537 TG 50:5; [M+NH4]+@9.74 436654.2973 84962.65057 306866.7493 247117.6584 219099.44 650343.3371 670457.331 243917.5488 402798.5067 305845.2755 315613.1767 536372.1985 264080.6619 173971.0797 195669.289 475076.0795 405820.6137 212577.5961 467384.2455 274675.5987 408382.6158 430127.2261 128947.5368 358805.1714 301616.901 371540.867 103683.2934 217739.1992 71932.15023 49426.67223 112087.8492 53906.60931 123564.6374 TG 51:1; [M+NH4]+@10.72 257693.1295 20452.63955 139834.2608 40421.6 73980.7512 232626.766 442493.9388 216516.2003 132486.1467 114123.3753 184735.1239 204753.7432 54068.97161 112184.0625 52116.63452 382543.1233 137083.6426 60055.78033 307171.1636 53516.74599 49930.621 205684.7229 47781.44751 274551.2753 167201.776 128604.7369 63729.40132 144529.5521 93400.14448 58641.17545 18454.07688 38678.34501 122844.698 TG 51:2; [M+NH4]+@10.52 592095.0137 81210.0344 475808.6716 170316.1867 288885.9988 704662.2995 724078.2806 377650.6695 383445.8771 316263.8659 376395.5069 376316.8614 197017.7656 257853.891 232844.4808 892323.1255 370767.1272 184241.4679 680535.7543 175251.4623 140230.9505 461408.6052 136753.4337 407596.2621 339714.2787 222259.9811 187469.3476 269901.0022 201957.8537 104567.6732 74192.2383 106364.8751 229133.4005 TG 51:3; [M+NH4]+@10.31 462357.0714 69480.87378 287372.7762 154590.6618 205987.8296 474397.6162 450304.8316 221126.4515 341806.0213 339628.8797 237632.8636 291986.1137 116598.2146 180019.5837 122358.472 543364.507 190582.3882 120611.9767 297586.4258 159890.972 169020.6301 332268.5435 131622.9364 368639.0369 401455.0366 211017.6463 218647.0162 312339.5624 155371.5844 112420.59 98941.39562 99980.80127 344429.0245 TG 51:4; [M+NH4]+@10.13 244893.4306 85539.05941 137205.6549 81851.76883 137808.1058 310928.8004 284675.8995 144044.442 227870.3222 168083.3168 153833.883 177102.863 118275.4332 80281.31002 118702.3553 284405.8407 117013.7919 117898.8438 195873.2 88759.17043 140170.3635 222803.7583 64467.58178 185569.7169 248741.8583 116358.8249 94847.79941 172533.8962 67367.43087 50253.10001 88256.13948 50650.19802 139521.7331 TG 52:0; [M+NH4]+@11.06 353914.5309 13155.33158 80387.06195 54282.11889 78685.64522 440054.8285 331402.3543 271446.2153 147492.5372 175873.2755 295789.6254 181218.0232 49160.5267 139313.3015 44339.71683 213798.4832 192120.9229 49114.28515 233737.6239 55147.26503 69449.15728 215146.433 50247.91656 357243.742 121021.3172 201159.5113 49518.88461 269853.1205 110967.0664 53304.58784 25863.51308 45679.75208 133451.6655 TG 52:0; [M+Na]+@11.04 132861.3415 51431.09816 27186.39176 68191.91745 106029.1669 231121.8893 136678.6587 171526.7597 127309.2356 143173.2299 256822.6699 117096.0583 112272.1202 126511.0256 10639.12143 157823.1228 142327.5346 81607.63729 145365.5826 104724.0209 191.5289382 152393.7492 75452.70536 265440.5317 119125.4269 160122.007 83039.51184 136081.1806 61432.39866 80204.33567 37903.66607 69318.57939 112703.3215 TG 52:1; [M+NH4]+@10.79 1664605.471 264167.9558 1245466.448 479204.2415 805011.1649 2481414.898 4099972.17 3475902.013 1522727.262 1556329.008 2024182.239 1314611.477 848545.8329 1245192.645 572876.1501 3298828.233 1451431.457 1023090.69 2719095.964 821642.7221 499404.8857 3585623.39 691053.0018 2839095.217 1219228.994 2446135.24 748495.9572 2166224.757 1054192.624 547354.6977 287286.3417 596420.6842 1299887.081 TG 52:2; [M+NH4]+@10.57 9749233.458 1882482.556 9052578.579 4269086.291 7919949.455 11339497.35 12093952.62 8141627.94 9395632.024 8404653.391 8265968.934 6936604.979 6162651.553 7340220.047 8598253.78 12879971.68 6088955.13 5404466.425 10787612.52 6171937.42 3500185.071 13470773.75 4029897.478 6656349.918 6088110.94 5125909.075 3694471.219 6518778.61 5664358.505 2050782.092 1979259.548 3526430.746 6305142.958 TG 52:3; [M+NH4]+@10.38 13318076.59 2079672.655 10632620.08 6337401.785 7422213.322 15840403.26 12140841.04 6556722.554 11807756.34 10184823.55 7811496.488 7363613.15 6587264.295 8216839.706 9461407.527 14099235.94 6329736.027 8886901.279 9411874.232 7147286.271 6250660.849 15396860.15 5067899.9 6103980.083 7384364.242 5646433.342 4654758.883 8109882.254 5494448.879 2357814.841 3390574.255 4866144.191 7762717.775 TG 52:4; [M+NH4]+@10.19 9634774.727 1450991.53 7086435.807 5508990.621 3449140.069 9410847.47 8267012.143 4394808.611 9640417.524 8393683.927 6203543.5 5747184.071 3913889.737 4642618.534 4419244.773 8138810.402 3332618.361 4294828.287 5539731.164 4998460.418 4503311.306 11606039.84 3597073.763 4186512.137 5141656.789 4353124.172 2603384.944 5119394.779 2582003.009 1340161.13 2543732 2862219.119 4677886.552 TG 52:5; [M+NH4]+@10.00 2959949.385 441675.2371 1282093.519 1080760.292 937860.3801 2488690.345 2601137.613 1192971.019 2409623.831 2319072.559 1231238.794 1821965.266 1159413.75 1274200.911 1353090.698 2017485.806 1338505.569 1164969.055 1861609.268 1393635.281 1514437.027 2411243.417 1373313.469 1839753.412 2056511.023 1859127.877 964609.0089 2035487.85 957492.9308 556136.2643 1022334.714 891087.0812 1613481.41 TG 52:6; [M+NH4]+@9.84 660179.1138 258246.4609 519032.3216 321818.5199 281823.4486 636494.0707 712240.5329 305133.0598 751166.5094 484963.6608 465238.6232 583435.215 512870.5199 264498.9724 389861.405 616615.5323 439937.6893 367720.3851 628555.9661 494309.562 504686.9325 662525.0178 286628.53 388806.3532 445324.2476 462416.1673 168216.6798 338145.735 131006.2436 104807.624 243567.5399 117801.9752 220802.9165 TG 52:7; [M+NH4]+@9.64 116528.2881 91571.80664 47463.85431 40969.38347 30086.2857 96197.18557 101529.4031 53316.73375 88676.60212 67168.1562 58244.73015 126735.7496 85600.58692 42330.17444 83398.44384 115813.8031 93260.21709 45624.72235 122909.0675 81186.23778 164366.7752 73096.62117 50365.59418 91004.64477 73040.50462 96961.67923 31788.33156 65615.59434 37725.34773 24141.48398 45646.27666 27608.28259 46801.16089 TG 53:1; [M+NH4]+@10.95 130887.123 12595.1529 58986.97723 24108.94457 29006.18903 113935.0714 165546.1473 65841.07764 55414.43128 71877.18426 84930.19771 57531.70717 35418.81813 43044.07433 18304.28508 186605.4369 47844.01618 27149.44247 100387.1678 21446.2769 21309.04247 95239.18345 17823.6994 113630.5766 81964.40576 56148.43839 29995.56582 98375.74008 42838.83135 22062.45865 9517.041959 12791.41521 69415.44594 TG 53:2; [M+NH4]+@10.74 472185.7336 63802.65362 265122.1718 82423.5875 112437.464 296076.7201 460338.0951 194145.3448 262425.2707 245528.745 176404.2442 189425.9386 146252.1809 147203.831 124188.2328 617881.3195 153365.636 95545.19309 388820.9585 119622.4948 104974.986 336876.5623 121054.156 328088.3609 389001.7742 202416.2663 130831.1994 349305.3171 235994.9266 90272.02854 51487.96425 90921.89461 265364.5324 TG 53:3; [M+NH4]+@10.55 537245.2673 105679.1156 482779.7819 194938.3783 253801.159 542810.4356 421477.9895 167688.1364 373669.3233 455356.3009 262396.387 236570.5125 254443.1441 230947.7527 202906.0758 603093.2621 235741.5394 164067.9404 350347.993 206080.6757 203336.1341 416324.4936 136922.5568 270934.7177 350980.4428 188294.2827 171412.812 264994.8381 168712.1686 94293.67626 83123.64359 96155.40957 264125.2053 TG 53:4; [M+NH4]+@10.36 323396.6575 77603.91709 273690.5018 179223.4827 176453.5265 397365.28 219853.1941 80426.09371 249816.1563 294762.9677 219897.2227 141930.2872 176321.7546 162443.7219 166329.1697 357672.4301 221393.9519 128597.2556 220261.8349 145778.4596 184054.1951 243173.7092 115940.4603 162737.6848 273888.8487 165211.025 112254.5833 174975.8451 107153.5782 72478.26165 77459.83467 79238.94005 177280.0716 TG 53:5; [M+NH4]+@10.17 110865.1183 40825.44976 78255.37648 39563.78674 28662.33202 86451.02054 81075.52334 34515.89244 159776.566 91841.89672 46654.52448 71147.06352 65366.91422 68579.62036 90011.14281 170387.5371 125804.8825 36216.67053 90236.05946 108735.6468 77749.44424 89769.40637 49262.48268 78266.00985 66328.39734 71850.26662 34010.82367 90700.8421 57642.89227 51797.5789 76179.27083 91867.13088 46971.81277 TG 53:6; [M+NH4]+@10.00 70461.6699 688274.2996 244377.8461 668347.6872 382268.8672 90103.37806 81563.04168 18251.84977 184975.6429 231325.7091 178713.8036 61352.84617 562865.6011 199682.5126 327034.6495 76689.57159 255375.6479 189053.8179 33314.20576 194271.0345 80128.2909 51439.20421 134591.2143 123118.0461 108873.7516 198405.0045 138078.1359 75941.91348 108827.0408 732901.7083 610197.226 305331.3546 205564.8763 TG 54:0; [M+NH4]+@11.28 57470.39147 291.5217724 36267.90166 4024.864623 15370.45364 80491.26183 283813.184 59569.74294 17556.71513 25175.25377 21913.16364 39449.15574 42616.23305 11742.41216 2762.583852 254081.1964 34584.20091 16053.44477 128489.9184 25160.19065 6126.811238 247736.2383 18430.78419 60354.37317 31884.8819 36568.81249 7113.175645 509010.3704 37227.36832 5203.659896 6573.239692 7230.055113 33925.46684 TG 54:1; [M+NH4]+@11.06 558998.0763 75061.78889 236432.3753 69900.40138 132152.0749 597250.9469 559938.987 422976.7875 262089.8243 355024.8374 299090.166 242949.1358 211935.7883 202813.6364 71126.51352 487518.0477 217986.6404 90275.10296 443677.7562 100605.1814 103293.7006 488810.1721 100174.0366 471804.4799 263395.4002 342999.39 70865.85321 1123004.868 211398.7928 84884.2512 39369.3912 80728.87154 192833.2866 TG 54:2; [M+NH4]+@10.84 2090339.244 455767.113 1410876.054 552313.8915 1003413.795 3017602.032 1767565.889 1117864.961 1411187.018 1816598.511 1195256.298 902495.1415 1521117.293 1172947.369 668180.7119 2246250.373 991341.6899 791751.3939 1983702.621 939196.5673 589701.6582 2427795.544 538964.2771 1376434.354 1079387.527 1220125.881 434770.1344 2356778.734 888247.9334 358738.3282 240672.1612 409100.2193 754056.8172 TG 54:3; [M+NH4]+@10.64 3733429.71 1248531.641 3752265.306 1715881.482 2381216.048 4648478.97 2694096.802 1622587.35 3285737.407 4101947.601 2345092.827 1664403.813 4275783.828 2191118.393 2302489.784 2864195.23 1642174.409 1615621.413 3610809.83 2437096.048 1627054.383 4584961.268 1366742.974 2416650.897 2421865.965 2441920.031 1136284.726 3471925.182 1791526.936 788512.346 657812.6382 1118953.713 1627748.841 TG 54:4; [M+NH4]+@10.44 4307242.369 1329811.003 4197744.933 2453487.304 2463420.843 5592526.47 2624532.771 1501995.685 3676695.214 4786379.333 2388475.299 2102003.525 4716571.887 2314332.797 2749285.252 3169368.989 2110271.898 1965269.619 3325692.817 2924988.182 2487293.385 4663029.194 1678998.764 2665954.781 2497262.475 2964480.178 1428236.827 3553538.673 1612309.565 838479.2968 1148366.801 1493991.379 1847266.512 TG 54:5; [M+NH4]+@10.24 3472349.698 1008346.47 3465891.737 2519624.949 1973308.523 4551582.784 2419332.094 1185288.943 3248194 3876344.375 2132835.688 2052670.913 3556156.148 2046438.759 2230436.887 2782836.588 2037929.116 1756073.789 2815196.147 2506457.025 2830381.973 3700608.462 1711232.708 2071802.929 2461131.736 3519577.946 1131905.84 2618967.29 1109715.216 756183.059 1155817.323 1417292.69 1619253.214 TG 54:6; [M+NH4]+@10.10 2237453.051 876575.1796 1833242.982 1624809.924 1057935.028 2218980.912 1744280.368 811405.9696 2406858.9 2053724.01 1518763.116 1420394.059 1960768.68 1010864.453 1285380.072 1649395.948 1114253.983 1052490.655 1669871.672 1630726.149 1926624.762 2352833.032 1137591.498 1026351.602 1577779.999 3308379.4 587696.5648 1257957.871 584921.7361 448019.5903 710180.8312 937441.2061 957500.7077 TG 54:7; [M+NH4]+@9.92 508885.8164 578347.5273 366423.8515 376750.292 292896.9087 605707.4631 466892.2963 296945.4134 800476.4293 518256.7997 423048.188 408340.5313 815804.2946 290833.449 542975.1091 525162.777 515568.231 458601.3169 542049.8724 615002.8116 857236.6607 747745.9589 662213.6185 510694.8335 761780.8905 1878439.645 252436.1682 418945.1553 271955.1692 186903.1105 341972.4311 296633.8076 358963.3389 TG 54:8; [M+NH4]+@9.72 172090.7657 250605.7494 82846.93517 78348.97075 84847.57485 159344.3623 132541.6379 64425.82962 172032.2793 106154.8003 93761.48908 119782.03 219131.6196 68653.14617 229478.7124 135780.7494 167342.8629 112144.3053 157761.2026 207358.4417 290654.5047 138997.3505 98858.93652 91344.50807 105443.7367 493978.9801 61018.50175 63632.63234 46178.19771 34576.70743 72417.14391 41878.75248 55897.10077 TG 54:9; [M+NH4]+@9.49 34842.02694 86893.02757 7175.002259 8700.723866 6595.933537 13623.41344 12890.34319 6782.278884 20055.0751 13522.70447 11310.06201 28153.64551 31265.53611 9565.263425 34000.69325 20839.19888 23051.23477 14117.40109 22087.40076 30524.86981 48113.32934 15986.51506 15719.52928 19826.1344 13407.11983 51613.70702 6104.301291 9155.379739 7982.368044 9018.190915 12347.72354 9767.164161 9796.317628 TG 55:1; [M+NH4]+@11.16 9158.771471 3000.017647 8108.061666 4451.444849 8495.103676 23662.91046 13590.29044 5021.2707 8677.15458 7427.033671 11951.36102 7869.002367 6073.45628 7441.214167 2022.648901 29841.59064 10866.31365 6026.660786 16840.84404 5514.432543 4077.028208 11891.71096 5329.270982 28111.06456 274.128888 10969.80836 4891.561395 10328.76325 5930.191307 5653.229391 2980.829176 1648.877252 1559.211499 TG 55:2; [M+NH4]+@10.97 46507.0394 7363.325167 34612.55511 19714.84847 18745.98784 53733.19466 29529.54527 9632.69829 20647.71361 32826.59316 35166.45677 11236.70301 13225.53936 18018.81888 3446.530791 65230.78291 15136.515 11140.45409 28937.88793 16744.37713 8710.975552 34860.29347 6081.682939 22965.93429 20794.54268 18696.51853 12001.03092 19432.43267 10199.37394 7831.130314 5211.865272 9551.019869 15530.59957 TG 55:3; [M+NH4]+@10.78 69337.37674 6005.173076 66167.94921 8838.942556 15313.92037 78328.48424 117062.1526 20108.17758 69973.40095 87201.74437 24055.46795 24502.25517 40387.34209 18802.36775 9795.240376 114721.1741 9941.470684 8892.495738 55767.17222 24666.49749 13792.70627 94105.92608 20924.26719 44871.68109 57299.05929 42013.00019 16905.91674 83578.83321 37451.27353 10291.87304 9735.620182 11596.03812 39747.31213 TG 55:4; [M+NH4]+@10.58 60716.98422 11137.49216 28596.17755 18021.52963 11253.17187 38408.87076 37420.91329 10475.6956 32379.60013 68498.79868 20286.03661 33345.90469 25534.39899 21809.04543 14450.14815 34936.38647 18078.41196 21553.57129 65288.66412 22941.4351 23977.48173 27933.79914 11845.14128 74927.31559 32818.94619 58198.6506 21432.61244 55668.13159 14251.47403 17930.7583 14666.53554 21220.82625 27916.81065 TG 55:6; [M+NH4]+@10.30 18610.27523 429712.237 96027.09019 101480.101 82657.46182 29409.2497 31981.91861 15516.84141 49514.60038 38874.13472 35095.0327 77293.65525 133224.5675 43012.0994 166069.8531 28169.31633 122406.7852 93160.6768 7262.099161 85477.34869 131193.3409 19384.34956 47576.57219 41585.42927 21843.88024 31478.70431 21203.23707 10507.51328 68432.442 135620.2065 304647.8989 59491.68607 113813.0636 TG 56:1; [M+NH4]+@11.30 16986.47193 100397.7726 83989.53719 63434.54445 52590.81293 36188.52533 31371.11959 29605.09632 23939.02805 66052.83524 52894.87785 24392.15631 340862.7028 24268.83454 21759.21694 40208.42784 80430.29605 9268.86487 16850.51237 29275.6048 19471.48896 20390.14311 18886.61256 42977.08466 22857.27803 51051.64233 20821.62225 129949.6188 19480.01018 60308.1757 44826.28114 64133.0993 21112.35176 TG 56:10; [M+NH4]+@9.68 35034.7673 220028.5804 12657.59181 14055.93847 12855.1117 17981.62536 12974.07013 8890.145669 29857.18882 20232.38361 20495.80411 28009.56378 58687.2862 15905.96219 118460.5935 22741.34925 56867.58191 36158.30119 41818.66681 64287.9998 83954.73094 16014.89349 21819.96605 13278.14623 13522.88422 34872.36163 9850.096878 7506.897425 10025.42865 12535.65097 19804.47783 13311.26502 13799.09298 TG 56:11; [M+NH4]+@9.48 5599.411131 109295.7271 2698.412476 2704.952129 2256.530912 2734.067079 1486.848081 2718.972142 3155.61547 4053.024564 2801.558798 4867.124486 5822.972785 2602.65398 16186.61599 47.68887398 8504.496552 123.3737878 2565.993165 10187.03489 13524.33112 3372.080216 3708.065873 3408.121018 2683.204637 4604.171746 1540.568835 1383.789811 1992.610886 2161.552077 2558.622798 2794.836918 1103.852976 TG 56:2; [M+NH4]+@11.08 122519.9076 36857.24029 159810.7749 34040.62923 76355.92221 181672.6874 97528.42897 36224.31481 67271.86202 129719.0331 90153.09615 55576.36612 226484.8926 88210.04812 29856.00286 139873.9584 55060.75217 47304.70196 177227.1077 56604.03093 56039.69013 111547.9511 35110.60468 73769.1855 69091.08296 118797.4377 16463.98615 250396.6197 46463.78936 17699.02705 20186.22343 21362.83576 31124.8616 TG 56:3; [M+NH4]+@10.89 231966.1988 88707.03968 200901.6013 73196.5526 106086.4757 194631.7949 126654.2003 89626.73454 122830.7007 310000.8112 130126.2319 90279.26247 279000.0287 144634.0361 74446.25227 166208.819 71748.15353 72875.98583 132738.0376 130865.7781 116324.3956 202238.4516 48368.13247 131958.626 109196.3619 118695.3924 30203.01937 249022.7059 74044.19919 42001.3149 28252.84059 43215.91352 50268.36739 TG 56:4; [M+NH4]+@10.72 378455.7963 80630.21221 200126.1512 122030.3277 101357.7469 205779.2941 174100.0955 129906.4821 219497.7715 341133.8012 179289.1305 129189.7095 220909.054 206964.4955 115892.2496 202133.4054 133146.591 126474.2931 148634.7433 172360.0459 182065.6518 213321.9746 132216.5847 249302.4818 162589.0224 178062.2216 79316.69567 385807.1068 155784.1557 93512.62111 76544.99958 91908.76164 140835.779 TG 56:4; [M+Na]+@10.74 120762.102 69532.13624 88256.75445 67363.45954 50018.59615 79534.22201 70301.60228 56657.06228 103385.9886 117576.1602 68128.17601 67020.84155 90225.63857 101569.1614 88803.76186 85488.40354 63272.24073 64304.35289 72896.8958 87021.65345 93478.65871 62106.98241 67468.64321 98720.80919 77440.78153 65838.62301 42178.57137 135241.8795 63667.11629 73980.19018 47128.60382 46089.96832 67988.07631 TG 56:5; [M+NH4]+@10.56 675277.4918 196470.618 570377.8949 363339.7063 405644.3448 597013.3746 342224.5239 284150.2035 668885.3408 720698.0298 449010.28 308821.0647 481241.5054 534745.2191 550346.5853 638705.167 452559.6332 353978.7503 459180.0074 477968.235 501232.4681 530755.0247 360400.9708 376391.9786 268862.7111 288833.5739 243947.4671 418696.1213 246778.5034 198365.8176 174337.0711 359058.5521 276063.1722 TG 56:6; [M+NH4]+@10.38 804411.2204 503327.5328 664392.8896 491303.381 494605.7204 765775.7998 475920.2907 358359.4904 927287.8582 863848.3211 573704.1184 490814.5211 765321.7051 785964.0728 1063662.647 919050.5645 549244.0303 613711.9337 589562.5762 792201.8692 837290.6562 607164.9862 511302.7849 506838.0669 387620.3785 441680.2111 316004.7423 522953.0861 428843.0727 334145.5516 297446.8239 565649.5061 484045.3671 TG 56:7; [M+NH4]+@10.18 1098188.381 1314102.227 558192.6529 471508.0284 414450.4018 674413.3055 509564.6916 354098.2453 946255.0724 862551.2375 656757.3844 539617.6625 824045.8502 516437.5072 1082389.009 840072.5809 519930.9934 595348.0291 590565.1375 966089.1798 994752.4615 735326.4645 495840.4111 428958.7349 407808.1544 425607.2618 260917.3849 469100.9328 503912.8124 274406.7427 308302.8272 628784.5168 509654.1049 TG 56:8; [M+NH4]+@10.02 767872.4383 1253104.536 343244.9667 323521.824 216355.2133 407784.8783 287641.2505 194335.1927 542967.5801 447715.3891 381445.72 336517.0044 534067.6792 268523.9987 744752.0554 446806.9307 329527.2369 392531.3743 309999.3377 665963.6143 686739.6083 464160.7382 336773.1616 245869.7254 236122.628 295741.6704 133217.101 234736.7484 297508.5471 178532.1095 227107.6034 465606.2773 305560.8986 TG 56:9; [M+NH4]+@9.83 181287.2282 474705.0901 78767.07753 97674.03657 78101.69052 121228.0046 73943.82961 59285.99709 179953.0356 116084.6767 107293.9272 98299.63236 213493.6082 93351.48603 344405.2214 119618.4061 178738.1365 163057.3697 142110.1756 262531.477 326507.0014 104825.6059 130223.5962 90406.32617 72100.44219 129257.0097 48273.20426 57446.75828 79566.53766 64896.81814 94603.40038 108702.9219 73655.4856 TG 57:5; [M+NH4]+@10.68 10778.92258 3585.596916 8335.53141 5891.74421 22775.01918 16858.86758 9295.705085 5374.007551 22701.71431 8360.355453 5432.529641 5975.264849 8538.940863 3966.693668 5452.251181 8649.542764 5695.613783 6124.178475 6613.51259 11605.47405 14304.30198 12050.29068 5042.31503 9592.029955 3960.639232 6946.498135 9505.476722 9698.367617 3514.49784 11305.67994 5742.041115 12999.84801 12605.25336 TG 57:7; [M+NH4]+@10.37 17450.81609 30600.55077 18635.15265 7353.941145 4741.013006 14830.02241 22848.33917 879.7489749 9939.101111 14187.96175 7356.131963 7110.561324 10060.66574 5906.866607 9690.905915 29461.16396 6331.013155 5265.167893 15359.99245 12620.35734 10874.24165 32108.57227 12779.33877 14242.6226 26444.35973 6635.839154 3235.822678 16685.0739 23227.13484 2299.596646 4333.214363 2520.296273 10661.82206 TG 58:1; [M+NH4]+@11.57 8078.758548 3230.279986 27772.44831 3866.328966 3439.635534 15500.86826 17238.10485 8656.699504 5177.66904 21607.96659 19648.51412 10470.47178 26017.00622 6445.64204 2280.426943 14998.53976 9913.943042 3966.839507 17891.82296 5628.627055 2758.069049 10349.75512 2043.39574 12119.40065 10073.99338 11718.02361 2118.540034 152281.8021 2187.030109 762.1528258 2044.238979 1335.087777 5799.93968 TG 58:10; [M+NH4]+@9.96 132454.7678 434490.839 49708.28589 73065.36064 47740.47736 68025.60179 33114.91678 37949.44821 95321.05989 68271.98957 83258.06648 68333.24415 145895.4634 66942.12409 263010.0778 55068.56876 132491.1737 151465.5749 76411.2071 175619.8135 230372.9844 53169.41366 93032.31112 47399.47855 36181.53098 68738.91786 27994.50085 38867.89923 58747.29699 57268.1122 51426.32564 127790.0448 60047.6266 TG 58:11; [M+NH4]+@9.77 28316.79209 597796.2805 7844.332087 15303.72867 10391.7077 21570.27169 7293.478771 10379.90114 27547.81916 16523.9697 28227.02257 18449.49059 51399.64893 12838.01557 153031.1433 16038.44893 44658.0269 44676.9249 22422.99257 77672.85047 98893.26243 12340.25681 42172.48425 24425.66844 13643.99873 43325.21932 10184.66325 11487.97239 22704.21257 22948.46223 19648.75977 34934.09859 18758.09582 TG 58:12; [M+NH4]+@9.61 8419.534908 469468.5293 2297.662343 2092.674579 1961.382597 3103.018113 1572.768743 1019.979629 4332.519899 2647.934711 4043.87807 5385.782393 11852.78503 1771.946316 81907.67885 2495.988104 9898.29732 7084.697004 5814.042514 17287.84684 24310.35445 2082.726453 3757.564291 3417.007344 2543.55573 7254.266416 1729.227097 1313.417814 6352.598595 2093.193531 1829.805721 4007.17296 3283.087356 TG 58:2; [M+NH4]+@11.32 17007.13292 12462.86177 83539.94543 9198.735139 11286.51094 40538.99595 27860.71612 13195.26142 9765.13036 45054.53478 24703.56334 14396.32654 162933.3597 11006.63192 4171.624947 34908.24276 22823.24841 7094.186508 48728.7433 6213.280799 6619.372856 38122.68078 7992.204374 19215.49958 26294.67532 51060.74084 4420.870984 186490.5321 11337.2206 3046.944046 2035.619439 23509.91259 7169.688375 TG 58:3; [M+NH4]+@11.12 34466.20625 19192.80411 112487.0526 14163.2879 17754.08027 33465.59635 54435.22869 12606.3658 18129.84436 42849.8636 41615.33862 17761.62292 151525.4962 12753.02171 8063.669955 26447.09473 15847.021 8618.297372 45273.58208 20530.44771 14776.14139 40528.08302 10173.3527 18848.59631 30333.8773 30657.91271 4738.52839 109619.0423 6656.838939 4628.926323 3089.675614 11546.07611 9565.018358 TG 58:4; [M+NH4]+@10.93 26197.67042 14705.35866 32931.75506 11751.10839 17533.38669 26127.67635 23084.79742 16121.15438 13484.28557 47765.8315 19275.46292 11384.31945 37201.81291 11379.88381 6136.838962 21671.38737 8196.88165 11148.0605 24368.47438 10640.07327 20202.77242 18790.0266 9108.630768 17312.84186 25165.65358 26893.95197 6656.337257 53511.02332 10084.34689 4402.064363 5190.84126 6865.865594 14952.37105 TG 58:5; [M+NH4]+@10.79 52135.23361 22589.2265 43982.56214 29731.94733 18801.77511 41458.82422 36267.76215 27335.64618 45573.62372 73225.21154 36812.87516 14374.7675 46977.63882 54765.97363 43375.06594 43021.77333 41341.63537 35039.34585 54912.65989 44048.03977 38312.00059 44179.49241 22057.27352 41907.7699 27466.90323 25006.80133 11549.39279 44783.93966 19800.52654 15604.35159 16907.74519 26435.54183 15423.13791 TG 58:6; [M+NH4]+@10.60 106466.1993 58521.67973 66806.22766 50864.23788 48174.79843 65812.08076 52468.61138 47198.28244 110068.0512 131887.915 60155.73136 53269.24163 82181.82469 74281.5795 87815.89768 88482.32459 60735.28517 75063.79537 55130.50474 92049.76952 78859.08533 83062.35212 47349.3535 53695.09441 41877.00174 42963.2268 26748.27301 60752.19726 37145.85832 40217.96621 19260.09055 32955.64892 49775.17513 TG 58:7; [M+NH4]+@10.43 202645.6716 247477.7635 121208.2382 75825.29993 67328.60838 120057.6019 83959.48096 56207.5373 132467.0055 163974.0814 99603.563 53748.62113 120365.7272 97570.73385 196541.3822 119582.42 113419.9928 119849.8449 111056.3707 154212.143 155286.7017 114477.6704 87788.75385 68137.10664 56030.16939 81338.5626 39434.41491 100431.2782 87329.80941 67103.27201 45115.1085 66567.46626 66311.3767 TG 58:8; [M+NH4]+@10.31 237708.9575 566453.7823 98546.08813 92274.17246 84239.23191 146289.7629 82797.11455 59420.85919 156665.8958 145431.4342 95972.74246 88316.31656 197690.5089 104584.7045 287705.3183 164402.9312 120415.9694 145578.9298 117830.0694 246390.8836 263022.5625 116793.2545 131073.3377 76080.4279 71523.2153 100387.3772 47296.51933 90161.33753 136172.4772 75251.90302 56033.9799 127320.043 86727.26613 TG 58:9; [M+NH4]+@10.16 228468.2108 606979.1836 86041.97066 99288.39416 60607.357 106553.9684 61057.22712 48397.6656 140856.7526 112697.6638 123785.0333 91937.01162 175038.2047 109334.8854 285663.9346 107930.7242 139323.6356 181148.9192 144704.5409 230952.3981 286200.2442 91273.40281 126503.702 82339.69594 52421.89683 89131.2608 54210.28864 62685.85095 111848.2317 69499.93707 72334.62958 142611.7452 71640.11694 TG 60:1; [M+NH4]+@11.80 2341.223061 794.097182 6879.877832 2216.883961 2087.734621 8805.374738 3392.27992 1650.972012 1010.568826 11111.95394 4222.092681 1899.610596 12885.58651 1858.740695 664.7004669 5687.128769 2647.237658 1037.869585 4786.961615 771.5871458 579.7661259 3051.604331 640.914711 6330.328781 2502.202543 5330.59364 1016.637507 26224.89514 2049.057694 869.8560897 1289.934003 276.5764335 1798.716632 TG 60:10; [M+NH4]+@10.21 35263.85316 79862.31327 7911.446163 13491.97754 6813.196523 15062.78586 11349.96394 12082.5151 22002.5786 21100.62098 17864.68431 14595.92089 30369.92381 18978.04991 54014.91438 18997.6643 21395.62319 26675.99835 14868.10766 37262.45205 55467.24305 13873.71719 22643.77135 20464.09267 10077.45185 20162.78335 10752.50443 16307.86408 23889.78927 17945.64305 11260.71819 31649.94184 21840.38309 TG 60:11; [M+NH4]+@10.09 31357.19694 207165.159 5918.090807 12409.29946 7973.393468 11035.12005 8764.695669 12156.55248 16046.60955 22150.44093 24354.53954 13202.86959 31344.64984 7231.923339 46576.7139 11617.84322 19563.57813 34579.76967 14983.67497 32750.60377 53597.98156 9011.950883 24052.19452 17778.6425 11029.24854 20974.1962 3954.950721 12020.78671 24031.18932 19366.28688 14576.97223 39465.50432 21293.0039 TG 60:12; [M+NH4]+@9.89 29228.32837 579341.6281 4442.044135 5056.221833 2901.184141 7512.855787 4142.931102 3617.650468 14551.05333 8379.848851 9778.714845 9004.773941 16435.4241 6250.360267 55810.69414 4682.723929 15565.62384 21640.08104 8352.220032 32435.85581 56754.67106 7408.802078 20802.14815 5616.410839 5530.81893 9429.42221 4942.094988 6650.187967 24753.37296 9699.148107 9341.754089 31181.40295 17642.13343 TG 60:13; [M+NH4]+@9.67 4499.546757 461239.7117 1338.583107 469.4638392 1214.596317 2105.293733 926.4172571 667.3632124 3081.720633 1879.60039 3231.258918 1751.038756 7040.40504 1472.872332 20024.15316 1227.992948 5019.558356 9409.476696 1792.220319 12732.05066 20631.51117 1444.324526 5227.488302 1570.240302 1481.884685 5322.364604 223.0503404 732.247814 4835.701622 2704.79063 3294.862346 6365.075381 3188.602852 TG 60:5; [M+NH4]+@11.05 4611.283773 5889.721978 9514.486262 1246.687172 591.6380921 5907.950352 14251.0039 3093.639543 5263.534378 6863.017902 3692.066215 3533.978083 16857.97896 3193.40217 615.7661452 17308.25814 2371.338393 2812.15317 39069.85341 6077.441704 3583.164654 14810.43418 4168.146662 3998.717829 5049.030879 12166.3879 2582.475085 37839.00456 5139.791971 956.5955017 4223.999146 1214.881133 3797.029361 TG 60:9; [M+NH4]+@10.38 21319.98142 40167.18047 8719.991277 15720.52791 9867.210629 14281.81139 18919.46426 5162.429147 20179.40511 24027.41991 15603.98304 9751.709524 23926.69835 16416.55179 27558.80428 27962.61761 16450.62438 25385.87003 11362.24663 24085.41908 31308.9608 13177.37117 17619.90191 14256.50991 7965.793333 15145.63468 4369.845604 12353.15093 17410.95685 11821.72304 8399.247577 12369.99217 12345.06704 TG 62:13; [M+NH4]+@9.92 6356.557673 235424.9156 457.9024508 536.6161444 562.7114416 2170.462837 636.6916119 462.4367928 3434.348448 1657.494616 2135.01706 965.4642595 4279.239698 1021.981124 10080.78294 437.8580051 3458.476099 6717.112274 1782.719247 8605.759268 16017.99948 1555.34314 4457.781941 965.186618 3195.373469 3905.208585 878.5488839 357.2847785 7146.898584 2563.870085 1957.724335 8818.504595 2110.504584 TG 62:14; [M+NH4]+@9.81 2367.732666 1809150.111 751.3462836 2646.158525 1666.812766 418.7066172 320.204073 271.4827905 1721.083452 506.0875581 3395.028602 900.4168667 9204.637107 1587.409903 25033.25467 744.5356362 2880.944929 10902.6449 283.7021986 11477.80081 21588.01586 258.059694 6228.529885 779.26624 373.6941237 2277.684092 567.1124172 517.5383149 6209.44497 14292.05094 16366.52763 11797.5308 2254.40826 TG 62:2; [M+NH4]+@11.88 2008.419603 1356.278963 7741.960205 815.5439661 2074.096209 3122.033282 1880.688189 349.798785 1339.064887 3159.805237 3768.990571 1883.721586 9051.4141 1909.887935 1272.648503 2285.159894 1172.394266 177.0066108 2203.57814 493.8099753 828.530212 1858.145176 235.7912308 2151.215134 1255.87557 4370.046161 101.4544293 10391.52502 668.5646014 437.7332425 467.2905257 347.7244817 476.217927 TG 64:17; [M+NH4]+@9.54 21.04230052 283754.864 1628.855546 7174.53175 2140.892047 2514.299929 1996.89426 1827.020963 2495.702659 70.00907157 1854.824139 2889.788014 933.9705662 2814.526901 743.4882158 3496.781459 335.7438103 2489.076997 765.5856659 728.4969926 4711.982599 1381.626841 3041.635596 108.9280982 2894.017504 1613.066988 2638.103109 184.2253744 1868.707709 3220.283598 1893.640052 433.2898379 73.55071875 lysoPC 14:0; [M+H]+@1.15 94599.34181 55307.09113 58479.11293 79714.28861 58167.19444 117338.6266 121717.307 81792.59319 46846.37866 46539.57721 59224.24767 104601.991 46419.28254 45712.66543 43638.09419 86532.3217 73431.05955 64942.85257 84036.49593 70715.303 87118.70781 77740.69951 45345.21345 99741.66121 105052.2389 87411.09772 55150.30883 83915.21077 53245.16553 54506.2296 31562.59215 20904.58862 44684.43813 lysoPC 15:0; [M+H]+@1.23 129782.6159 85034.15995 77832.01222 59233.72068 83313.93688 122634.0235 103081.6884 46169.88633 49115.33324 58681.42571 44367.04729 72795.46436 29031.43842 41511.87091 53597.57204 69120.97124 42928.52216 38810.72093 116220.1333 69519.29703 94698.00568 71768.20345 44282.29243 58081.00547 94872.00535 62154.25883 52057.91117 85310.45944 55110.21666 50644.29031 28050.71951 27172.2365 58869.93112 lysoPC 16:0; [M+H]+@1.62 16480805.75 8332854.648 4835917.673 6393507.416 5953832.825 12114736.95 11201092.18 8733668.683 6456252.029 8620165.587 4907362.097 7786639.367 3958947.582 6926313.1 10166559.05 7954702.433 7995384.982 4385615.022 12028885.08 8888396.91 12418058.09 9354316.082 6130168.076 8254375.41 11592080.21 8956649.699 9028882.886 20131172.66 10690209.9 6558260.273 5422459.181 7635118.562 8933957.675 lysoPC 16:1; [M+Na]+@1.18 116430.0536 30815.67231 83163.48732 15869.30943 30618.60411 145266.9398 139857.4197 40357.67682 56138.33513 67676.64016 35671.90463 34076.60511 24557.75098 29739.33972 37850.89834 93490.40175 58525.37532 23267.88532 162974.1016 66017.8722 41816.30174 111622.9548 54606.4723 80172.85256 124396.8019 75498.06467 36749.05105 180677.4436 63685.10892 20079.37824 19567.53711 20260.56883 56818.08382 lysoPC 17:1; [M+H]+@1.51 21254.07389 234702.4234 31925.53676 108695.1997 86747.05285 17672.17342 17752.72955 18971.53328 23645.95061 37215.01396 18955.42533 38124.54415 62216.84699 29453.93426 52125.52315 22208.24184 50317.86868 31606.33721 11892.76015 42790.16879 84887.33047 4164.429507 31282.9492 44664.22232 33720.24602 32543.62382 56891.56221 28060.13893 32350.53323 231217.6241 149511.8948 41781.86288 36483.86799 lysoPC 18:0; [M+H]+@2.43 8080131.155 5439686.714 3394964.987 5246986.687 7805494.802 10761872.38 8912955.134 4409638.331 5100624.137 6606568.352 3594181.71 5026143.975 3812499.425 3984118.11 7678311.572 6021666.946 4824147.811 3641852.428 9637600.455 7581260.2 8667170.737 6491847.725 3938053.356 5549047.29 6684382.751 5222130.949 4983593.47 10791161.28 7870970.4 3828155.604 3744505.717 2816438.922 4453278.434 lysoPC 18:1; [M+H]+@1.85 2806581.818 2075045.168 1396693.616 2264321.954 1840215.265 2744112.456 2537457.681 2075333.437 1274406.03 2321395.655 879060.2513 1754270.495 1143706.204 1620830.115 2564037.949 1828380.061 2374506.15 1192343.871 2531363.548 2796416.417 2833075.43 1851154.905 1310774.451 2436224.005 2635220.691 2448351.569 2444780.651 4722154.557 2668436.942 2306689.219 1641313.858 1570964.29 2040051.697 lysoPC 18:2; [M+H]+@1.38 3405460.336 3291984.256 3184718.854 6146928.912 4913434.529 5827293.997 4179052.781 2652514.102 2488397.645 4198063.611 1686570.014 3263145.243 2750042.167 3542928.446 4159023.073 2576789.882 6029015.082 2675329.944 3338487.303 4231913.459 4080720.214 3115790.378 1530614.965 3135457.878 2879343.754 3622510.899 3746906.156 3761574.79 2484597.533 3024682.462 2752019.884 2055899.636 2404480.024 lysoPC 18:3; [M+H]+@1.18 52862.90077 68211.82646 42839.13752 64588.24625 64527.20652 101819.3752 76318.66802 54385.81059 34170.49609 46513.72746 35783.07091 62266.64888 53956.46773 61005.64053 50099.83412 53787.2493 161404.1886 58332.30618 100100.7204 75965.15496 105799.912 37412.52792 20160.50824 51008.43753 53441.19104 67068.72734 48102.34206 49514.19292 30735.79631 52020.75191 32979.48624 11379.60473 21364.7169 lysoPC 19:0; [M+H]+@2.96 39360.57003 36448.8504 23300.18406 39073.60784 34511.01953 43339.07818 35862.2167 22408.98849 27524.72283 45368.4201 21500.5163 32192.4127 19355.34795 24899.63672 34692.19091 34056.04038 31367.0805 19456.36632 46411.44165 33738.12433 43930.72613 23432.14822 25991.25525 25970.96938 34167.80256 27154.73903 29877.0589 44746.69002 25940.02317 24705.1896 19430.43053 15106.88937 25980.29144 lysoPC 20:0; [M+H]+@3.44 25848.91941 40541.74325 25269.85331 31072.76811 33885.87608 43350.33562 30632.22758 21611.99413 19621.61896 48597.849 22464.30977 19428.61983 28873.78079 16405.79617 37327.85205 25675.62387 37834.99181 16233.81598 37559.20643 19647.51668 42079.34549 18002.89195 12478.99341 30374.33776 23553.00447 27260.04621 24153.21573 45055.67647 35072.69939 20318.79995 26852.44544 10905.32794 25148.08729 lysoPC 20:2; [M+H]+@2.04 48825.212 29196.2302 24456.83619 46587.31289 26409.34138 91562.06477 45971.73392 23414.55962 19575.28378 62182.9047 14602.31016 20142.73738 20820.7998 41413.78739 43869.90203 47933.5519 41094.54429 28721.23395 42677.98848 49844.29404 95381.04733 20791.65753 25711.90077 44147.19936 62251.32453 38914.34368 46808.00051 82704.43993 46371.22349 45172.08145 32637.71037 25559.9748 40610.00465 lysoPC 20:3; [M+Na]+@1.50 142799.6945 2453769.999 76981.93336 559299.4441 637549.1607 116638.8867 125194.9226 68780.98312 85961.48757 116040.7646 64643.6304 95760.1058 289862.4919 254182.3073 1154543.85 77345.29379 227181.0351 417695.3325 42230.36738 543729.575 732287.1845 53420.17764 250150.3349 113039.7746 119981.9731 248733.9558 318429.3621 187354.4067 360437.3178 1046709.391 1706359.865 623220.9004 512313.7481 lysoPC 22:0; [M+H]+@4.36 5196.538011 15347.42094 9176.231231 6911.651437 6068.64335 9048.769478 9667.126444 5224.139477 6470.30531 20118.10091 7966.602371 7521.249054 9694.971655 4927.104874 6550.633263 5891.204073 7947.648155 4706.538921 6591.52092 4661.234054 8424.53395 7632.981324 4477.641561 8826.214316 8224.08041 7152.499979 7495.093302 12620.24935 10767.01422 6000.023088 11507.22179 3563.253268 6638.608491 lysoPC 22:1; [M+H]+@3.48 3297.09413 12040.08658 2119.625797 5308.88943 3229.08514 3352.481 3866.95243 3684.12685 3473.475879 5016.288733 3634.928302 3475.364457 4303.419687 3009.913843 2519.754745 4665.325166 2164.656292 2304.37948 3561.926978 2845.798913 6058.854055 2892.89604 3041.32894 4071.819713 4063.390563 4001.917061 3449.114886 5964.040499 5994.9112 3125.292863 3551.47122 2839.882102 3949.825184 lysoPC 22:4; [M+H]+@1.82 17887.83208 2129.813428 15738.59027 33362.10221 16527.01169 26932.91831 32071.75681 24516.65151 9655.39126 19948.009 9484.881933 9430.042924 7963.579458 25337.25825 24151.46414 27363.53056 31575.49521 16025.46045 30941.96106 20013.73598 32536.08329 12992.15147 19969.52074 24846.97676 30760.38699 16137.60933 23882.86018 40640.8005 9817.284555 30800.65633 28395.97816 16816.2053 15613.37605 lysoPC 22:5; [M+H]+@1.53 59999.50065 55617.30919 43787.87992 79812.53473 85474.18586 77724.35687 92901.33141 76462.07123 56979.29882 69497.89221 38299.11656 51782.96084 42625.05771 64968.82923 147203.6993 82727.469 76760.36509 66090.42126 74793.86416 116146.8709 101502.7202 55495.59802 46440.31852 61963.29618 61456.97272 59241.39442 52519.57827 89128.65687 43709.49013 77321.36592 59284.87024 57425.36548 64305.85076 lysoPC 22:6; [M+H]+@1.31 119476.6846 2263099.31 73111.78641 529872.628 581303.9038 114378.1965 79099.35106 106049.8949 85342.4601 114345.7897 55620.4039 172956.2018 275619.7539 241750.6504 1073068.243 83220.57029 202481.0483 419863.6676 42347.10456 528744.2748 753294.2713 54148.64796 257700.674 165144.9927 106405.1323 239552.239 312729.897 183433.4128 381017.9184 1151180.294 2199712.731 691801.1333 490894.1524 lysoPC 24:0; [M+H]+@5.27 9137.471114 23507.42647 16984.90868 16649.30351 16341.37585 10070.42215 16862.24644 14732.52006 11208.19858 25519.12577 14512.54041 11100.73795 18358.89722 11152.12088 13448.12997 12387.49503 16866.33704 11872.26996 22435.35902 14820.16647 14113.50097 10254.29984 6174.533033 23187.39174 9815.878754 19860.85203 12466.44441 24296.38765 17199.18953 18781.7051 20151.56236 6431.138289 21027.53013 lysoPC 24:1; [M+H]+@4.40 4546.337852 11081.61749 3420.413768 4063.568084 2295.674339 3744.998946 5527.120969 3690.546468 3854.310479 6943.078031 1591.949808 4017.748343 3802.788925 3871.516643 6869.104956 4231.654587 4941.86894 2628.36371 7082.530649 4474.238751 6766.842692 2713.875561 2100.231791 5291.178167 4608.07848 3687.213877 5783.995959 5719.198425 8333.264967 2921.039993 2921.462798 3514.924439 5065.68705 lysoPE 16:1; [M+H]+@1.23 2113.582375 1393.247094 1417.101396 2590.568188 3727.295136 1578.334708 3051.184032 4907.170375 2141.842792 1585.317024 3269.046925 1960.832516 1862.649709 2930.100236 2705.757139 4033.63597 4600.250477 1932.261446 3386.347029 3532.516423 566.0498066 550.7671275 786.1463426 3480.082955 2779.236461 2059.157207 2088.399127 2408.953059 2416.933006 2204.251347 2266.54532 1286.016915 1592.053376 lysoPE 18:0; [M+H]+@2.50 150020.8703 83098.13449 43472.60826 87519.24953 61520.57728 116463.0119 123744.792 103871.9968 107914.5844 118812.2145 84679.12362 107001.44 74756.54097 73225.60444 120490.7004 56159.20752 113452.5974 54291.99977 157275.8672 102191.673 108965.4995 78090.94695 69351.12354 132937.9439 104712.5988 98759.28828 83891.83416 190984.1647 105174.7837 75103.566 52170.27178 69790.15042 122847.1468 lysoPE 18:2; [M+H]+@1.35 46580.58301 529075.4772 118466.0821 675799.2796 383305.629 81494.43621 92739.71736 111491.8467 87994.47851 161588.1086 73343.97568 194143.9054 255910.977 122790.795 200415.0196 58273.24896 326737.0614 114757.7885 31798.03722 152176.5402 175363.0778 24888.37595 65721.33498 130336.594 75494.72859 141891.2146 121743.714 79528.50156 69356.04585 517413.9255 585465.4311 117988.5795 150004.9527 lysoPE 20:4; [M+H]+@1.34 96223.92058 28171.64564 60178.59951 66408.75463 72332.34566 61245.69299 89219.765 89229.61877 70081.71826 71814.6196 37329.68447 54592.35973 50999.15693 79441.7049 128457.98 71856.86233 90500.76437 52027.75642 66409.04929 118945.3264 68888.50118 46401.09448 56889.77063 76318.19559 68940.33766 81152.59566 52909.69732 125071.7766 46192.03735 89278.68136 76083.36552 86316.8741 86093.12639 plasmenyl-PC 18:0; [M+Na]+@1.85 795469.6135 698270.6119 1014566.386 1043447.606 1136179.389 1368669.395 882622.8231 701220.1454 607571.0384 852273.355 507479.9063 679333.7446 655045.3219 849557.6648 1407602.919 889215.1279 1168105.485 716078.9653 1048008.671 1319879.635 851701.7846 717589.3437 483537.6436 668468.6723 732681.127 694327.7293 787942.7083 768506.3733 629174.7744 651937.2101 633004.5663 522696.581 574080.5345 plasmenyl-PC 20:0; [M+Na]+@2.61 7986.98014 14669.50288 8178.17777 8643.182796 6519.906515 15512.97207 12883.18971 3180.555956 6564.650855 9642.423376 2697.464879 3217.324542 8505.805318 8854.803873 7858.170284 10353.81915 11205.74141 5842.764127 8656.51912 10179.66809 9979.34764 5324.589241 7079.937119 8509.660361 7700.166803 15081.94801 8701.94097 22791.81952 22167.97339 7127.512739 9669.033483 5697.51094 11087.42675 plasmenyl-PC 24:0; [M+Na]+@4.41 1082.73884 5542.405218 1208.747485 882.482495 537.5630314 1209.554915 5827.530707 1364.66932 956.2130317 1055.690298 424.6783347 1019.624892 1425.798245 594.4015319 1095.295329 3998.934632 737.2199228 1142.096063 5751.648901 1155.614465 1029.237429 2358.940225 2082.321667 934.5547996 1436.311069 1167.789568 842.6633679 4771.016857 3975.838666 441.6660674 1669.31214 419.2426668 1705.793112 plasmenyl-PC 36:3; [M+Na]+@6.77 146917.4782 312239.4814 101615.7781 111312.2644 99188.4538 103966.7397 67501.45718 67927.93029 117267.3913 150362.8647 94359.25726 122374.2546 129881.5575 96928.06086 230145.8561 165840.5092 96142.56162 231102.851 100024.6403 155707.492 245941.1921 97271.85318 105370.5801 70730.79579 132690.8715 105394.3454 246872.7309 112443.7916 276166.0946 93322.59674 170339.8738 154568.1254 163422.831 plasmenyl-PC 36:4; [M+Na]+@6.67 13669.61399 9722.111214 19118.49506 19145.35782 10631.90557 6279.597997 10858.46401 6943.135982 12397.6277 11465.42566 7494.689747 16046.36134 14809.34698 12373.60049 19513.74523 10826.04588 24879.93852 14386.29341 11775.07848 5519.566902 21447.05968 11211.63456 15077.53912 15193.93158 13779.26325 7876.255814 19918.05394 22446.18273 12055.72865 18802.80594 18168.04757 25306.11259 9877.485632 plasmenyl-PC 38:3; [M+Na]+@7.17 66915.81566 102414.1411 67638.57685 60825.38805 62451.41746 43035.60469 36627.39534 34199.92084 76633.05366 65423.45893 28935.12194 59044.5427 61622.66367 50541.72923 94421.65133 83608.66404 50592.29217 112880.7747 57503.60739 52606.02771 77756.18223 62871.89632 37292.16509 44272.46733 50302.78511 49143.54784 68869.76007 41015.32142 74005.42261 30542.99963 74309.35427 66948.98141 69418.793 plasmenyl-PC 40:3; [M+Na]+@7.94 8571.124748 8529.105066 16332.8805 13131.80667 15781.20288 18256.64118 23664.93238 24971.66163 14234.94704 15166.33016 15558.46813 10375.39378 12015.35138 17160.28878 15463.4848 36486.51931 20236.19699 18912.86387 14807.43979 12241.09189 11705.73466 23663.60936 12991.52727 18154.99842 14557.59659 12670.14286 15499.91711 21308.28558 8208.940182 9597.799808 20696.51744 16721.84777 13622.71567 plasmenyl-PC 42:4; [M+Na]+@8.07 11542.88026 150877.566 31445.63458 124810.2627 62467.19974 12390.0466 7579.040879 27756.68337 26381.05256 19566.83526 20748.69994 24873.2289 72688.84543 47578.67523 77922.56303 27359.8151 54569.89052 70780.46916 10651.35621 25560.55356 31065.31544 8415.574523 34701.32329 34887.69464 16027.92716 31406.78469 42319.49546 18746.94926 24642.53667 169487.7938 342562.7318 151340.3123 107640.1131 plasmenyl-PC 44:4; [M+Na]+@8.58 66912.4321 51265.8811 54481.87284 60302.16453 82589.85189 62483.22303 46509.62072 73257.9997 65872.57533 62920.44827 50304.21413 46916.0483 57435.10323 63465.22107 130879.9032 118479.0361 94316.10618 77638.92044 59706.5687 58191.45834 56721.52403 46907.88246 38836.50958 55230.059 40321.23597 64350.26067 50963.62659 61179.72739 53976.18367 53170.71409 47953.42449 91760.07821 64876.50939 plasmenyl-PE 34:1; [M+H]+@7.22 9667.764923 256311.0204 30867.36422 171070.66 104922.6401 11361.30439 12244.15048 15346.57589 19758.68894 16773.28948 18387.06818 36563.7373 76744.80853 41423.9445 47285.15119 9687.237125 42814.24368 21424.59292 7920.065675 39379.98741 91502.16157 8671.857609 30256.35482 33309.80137 16168.61933 36168.89572 59154.67204 17382.58953 33602.02211 197602.926 245619.0914 58078.12705 30627.68108 plasmenyl-PE 36:4; [M+H]+@6.70 162783.5728 140374.287 219365.7665 250083.8701 332045.8867 190321.3169 122716.9287 203729.5806 267816.1233 173596.5857 170134.605 181550.5203 451103.915 428729.0107 408056.5615 240544.024 395841.7202 293482.435 233651.5276 314720.3891 368240.4805 518723.3771 292813.1207 203424.8802 239822.3839 188381.6935 316577.6887 257056.299 268895.0232 389515.1303 223951.9166 376331.3415 171730.7269 plasmenyl-PE 38:5; [M+H]+@6.73 284336.8217 339346.8581 324142.4324 368756.0981 371131.4722 268847.155 161912.3718 232997.5133 380077.132 233978.4868 223814.4474 220250.3623 406345.5319 440313.8217 400251.8721 258881.3562 297288.743 286026.8394 305281.0017 322413.9281 341535.1811 390788.5116 193381.6935 135348.4634 243646.8538 164190.1812 324204.1331 215058.2592 240495.2358 289337.6 230185.5607 323511.245 167261.2301 plasmenyl-PE 38:6; [M+H]+@6.63 199612.9766 402081.2559 128223.4595 137300.2476 173322.1698 149093.972 112888.1065 88459.92846 180573.0767 106007.207 101325.6028 94858.15561 192200.5989 211005.6412 290142.0418 151540.4237 150275.5481 252216.5791 121879.5633 227411.2843 270667.833 167266.7743 113907.1434 74903.23096 86714.95698 115116.003 169921.9668 105065.2329 212790.2609 160485.8229 125567.6978 155071.3522 127523.4739 plasmenyl-PE 40:4; [M+H]+@7.86 38299.02921 9950.625029 19101.6671 33977.46024 20596.28973 28810.6639 30576.07341 20155.82595 38469.25427 31931.75929 23104.28182 25523.90544 21164.73395 25890.48161 82102.44811 30817.56155 100286.9552 27092.24145 46022.85749 33681.69084 89233.48463 33912.57872 20741.03875 51355.64317 32716.16034 33014.73326 36493.44909 55156.25479 48205.04992 49024.55603 29452.42322 40025.92087 51467.44575 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type CE(16:0); [M+NH4]+@10.96 10.96 246520 LMST01020005 LipidMaps CE(16:1); [M+NH4]+@10.67 10.67 CE(16:1) LipidMaps Bulk ID CE(18:1); [M+NH4]+@10.92 10.92 5283632 LMST01020003 LipidMaps CE(18:2); [M+NH4]+@10.65 10.65 5287939 LMST01020008 LipidMaps CE(18:3); [M+NH4]+@10.50 10.5 6436907 LMST01020009 LipidMaps CE(20:3); [M+NH4]+@10.78 10.78 14274976 LMST01020013 LipidMaps CE(20:4); [M+NH4]+@10.54 10.54 6479222 LMST01020014 LipidMaps CE(20:5); [M+NH4]+@10.39 10.39 10372299 LMST01020015 LipidMaps CE(22:6); [M+NH4]+@10.50 10.5 14274978 LMST01020019 LipidMaps DG 30:1; [M+NH4]+@6.88 6.88 DG(30:1) LipidMaps Bulk ID DG 32:0; [M+NH4]+@7.94 7.94 DG(32:0) LipidMaps Bulk ID DG 32:1; [M+NH4]+@7.49 7.49 DG(32:1) LipidMaps Bulk ID DG 32:2; [M+NH4]+@7.06 7.06 DG(32:2) LipidMaps Bulk ID DG 33:1; [M+NH4]+@7.75 7.75 DG(33:1) LipidMaps Bulk ID DG 34:0; [M+NH4]+@8.41 8.41 DG(34:0) LipidMaps Bulk ID DG 34:2; [M+NH4]+@7.60 7.6 DG(34:2) LipidMaps Bulk ID DG 34:3; [M+NH4]+@7.18 7.18 DG(34:3) LipidMaps Bulk ID DG 35:1; [M+NH4]+@8.21 8.21 DG(35:1) LipidMaps Bulk ID DG 35:2; [M+NH4]+@7.83 7.83 DG(35:2) LipidMaps Bulk ID DG 36:0; [M+NH4]+@8.89 8.89 DG(36:0) LipidMaps Bulk ID DG 36:1; [M+NH4]+@8.49 8.49 DG(36:1) LipidMaps Bulk ID DG 36:2; [M+NH4]+@8.07 8.07 DG(36:2) LipidMaps Bulk ID DG 36:3; [M+NH4]+@7.69 7.69 DG(36:3) LipidMaps Bulk ID DG 36:4; [M+NH4]+@7.32 7.32 DG(36:4) LipidMaps Bulk ID DG 36:5; [M+NH4]+@6.93 6.93 DG(36:5) LipidMaps Bulk ID DG 38:3; [M+NH4]+@8.20 8.2 DG(38:3) LipidMaps Bulk ID DG 38:4; [M+NH4]+@7.92 7.92 DG(38:4) LipidMaps Bulk ID DG 38:5; [M+NH4]+@7.67 7.67 DG(38:5) LipidMaps Bulk ID DG 38:6; [M+NH4]+@7.28 7.28 DG(38:6) LipidMaps Bulk ID DG 40:6; [M+NH4]+@7.74 7.74 DG(40:6) LipidMaps Bulk ID MG 17:0; [M+Li]+@3.16 3.16 107036 LMGL01010002 LipidMaps PC 28:0; [M+Na]+@5.34 5.34 PC(28:0) LipidMaps Bulk ID PC 30:1; [M+Na]+@5.54 5.54 PC(30:1) LipidMaps Bulk ID PC 32:3; [M+H]+@6.09 6.09 PC(32:3) LipidMaps Bulk ID PC 33:3; [M+Na]+@5.71 5.71 PC(33:3) LipidMaps Bulk ID PC 34:4; [M+H]+@6.18 6.18 PC(34:4) LipidMaps Bulk ID PC 34:5; [M+H]+@5.57 5.57 PC(34:5) LipidMaps Bulk ID PC 35:3; [M+Na]+@6.18 6.18 PC(35:3) LipidMaps Bulk ID PC 35:5; [M+H]+@6.10 6.1 PC(35:5) LipidMaps Bulk ID PC 36:4; [M+H]+@6.02 6.02 PC(36:4) LipidMaps Bulk ID PC 36:7; [M+H]+@5.58 5.58 PC(36:7) LipidMaps Bulk ID PC 37:5; [M+Na]+@6.08 6.08 PC(37:5) LipidMaps Bulk ID PC 37:7; [M+H]+@6.04 6.04 PC(37:7) LipidMaps Bulk ID PC 38:4; [M+H]+@6.99 6.99 PC(38:4) LipidMaps Bulk ID PC 38:8; [M+H]+@5.94 5.94 PC(38:8) LipidMaps Bulk ID PC 38:9; [M+H]+@5.57 5.57 PC(38:9) LipidMaps Bulk ID PC 40:10; [M+H]+@5.65 5.65 PC(40:10) LipidMaps Bulk ID PC 40:5; [M+H]+@7.69 7.69 PC(40:5) LipidMaps Bulk ID PC 40:7; [M+H]+@7.69 7.69 PC(40:7) LipidMaps Bulk ID PC 40:8; [M+H]+@6.64 6.64 PC(40:8) LipidMaps Bulk ID PC 41:4; [M+H]+@7.81 7.81 PC(41:4) LipidMaps Bulk ID PC 42:11; [M+H]+@5.86 5.86 PC(42:11) LipidMaps Bulk ID PC 42:4; [M+H]+@8.20 8.2 PC(42:4) LipidMaps Bulk ID PC 42:5; [M+H]+@8.27 8.27 PC(42:5) LipidMaps Bulk ID PC 42:8; [M+H]+@7.10 7.1 PC(42:8) LipidMaps Bulk ID PC 44:4; [M+H]+@8.78 8.78 PC(44:4) LipidMaps Bulk ID PE 36:2; [M+H]+@7.08 7.08 PE(36:2) LipidMaps Bulk ID PE 36:4; [M+H]+@6.40 6.4 PE(36:4) LipidMaps Bulk ID PE 38:6; [M+H]+@6.25 6.25 PE(38:6) LipidMaps Bulk ID PE 40:5; [M+H]+@7.11 7.11 PE(40:5) LipidMaps Bulk ID SM 21:1; [M]+@1.35 1.35 SM 21:1 LipidBLAST SM 28:1; [M]+@3.60 3.6 SM 28:1 LipidBLAST SM 29:1; [M]+@4.03 4.03 SM 29:1 LipidBLAST SM 30:0; [M]+@4.73 4.73 46891775 SM 30:1; [M+Na]+@4.41 4.41 SM 30:1 LipidBLAST SM 31:1; [M+Na]+@4.81 4.81 SM 31:1 LipidBLAST SM 32:0; [M]+@5.50 5.5 44260138 SM 32:1; [M+Na]+@5.20 5.2 11433862 SM 32:2; [M+Na]+@4.56 4.56 SM 32:2 LipidBLAST SM 33:1; [M+Na]+@5.55 5.55 52931139 SM 33:2; [M]+@5.22 5.22 SM 33:2 LipidBLAST SM 34:1; [M]+@5.87 5.87 SM 34:1 LipidBLAST SM 34:2; [M]+@5.32 5.32 SM 34:2 LipidBLAST SM 35:1; [M]+@6.24 6.24 SM 35:1 LipidBLAST SM 35:2; [M+Na]+@5.75 5.75 SM 35:2 LipidBLAST SM 36:1; [M]+@6.57 6.57 44260139 SM 37:1; [M]+@6.95 6.95 SM 37:1 LipidBLAST SM 37:2; [M]+@6.47 6.47 SM 37:2 LipidBLAST SM 38:1; [M]+@7.29 7.29 SM 38:1 LipidBLAST SM 38:4; [M]+@5.85 5.85 SM 38:4 LipidBLAST SM 39:1; [M]+@8.36 8.36 SM 39:1 LipidBLAST SM 39:2; [M]+@7.16 7.16 SM 39:2 LipidBLAST SM 39:4; [M]+@6.88 6.88 SM 39:4 LipidBLAST SM 40:1; [M]+@7.79 7.79 SM 40:1 LipidBLAST SM 40:2; [M]+@7.23 7.23 SM 40:2 LipidBLAST SM 40:4; [M]+@6.33 6.33 SM 40:4 LipidBLAST SM 41:1; [M+Na]+@8.15 8.15 SM 41:1 LipidBLAST SM 41:2; [M+Na]+@7.66 7.66 SM 41:2 LipidBLAST SM 42:1; [M+Na]+@8.41 8.41 44260133 SM 42:1; [M]+@8.39 8.39 44260133 SM 42:2; [M]+@7.86 7.86 SM 42:2 LipidBLAST SM 42:4; [M]+@6.99 6.99 SM 42:4 LipidBLAST SM 42:5; [M]+@6.60 6.6 SM 42:5 LipidBLAST SM 43:1; [M+Na]+@8.68 8.68 SM 43:1 LipidBLAST SM 43:2; [M]+@8.32 8.32 SM 43:2 LipidBLAST SM 43:5; [M]+@7.76 7.76 SM 43:5 LipidBLAST SM 44:1; [M]+@8.99 8.99 SM 44:1 LipidBLAST SM 44:2; [M]+@8.43 8.43 SM 44:2 LipidBLAST TG 40:0; [M+NH4]+@9.46 9.46 TG(40:0) LipidMaps Bulk ID TG 40:1; [M+NH4]+@9.16 9.16 TG(40:1) LipidMaps Bulk ID TG 42:0; [M+NH4]+@9.75 9.75 TG(42:0) LipidMaps Bulk ID TG 42:1; [M+NH4]+@9.51 9.51 TG(42:1) LipidMaps Bulk ID TG 44:1; [M+NH4]+@9.79 9.79 TG(44:1) LipidMaps Bulk ID TG 44:2; [M+NH4]+@9.54 9.54 TG(44:2) LipidMaps Bulk ID TG 46:0; [M+NH4]+@10.33 10.33 TG(46:0) LipidMaps Bulk ID TG 46:1; [M+NH4]+@10.07 10.07 TG(46:1) LipidMaps Bulk ID TG 46:2; [M+NH4]+@9.82 9.82 TG(46:2) LipidMaps Bulk ID TG 46:3; [M+NH4]+@9.61 9.61 TG(46:3) LipidMaps Bulk ID TG 48:0; [M+NH4]+@10.56 10.56 TG(48:0) LipidMaps Bulk ID TG 48:1; [M+NH4]+@10.32 10.32 TG(48:1) LipidMaps Bulk ID TG 48:2; [M+NH4]+@10.09 10.09 TG(48:2) LipidMaps Bulk ID TG 48:3; [M+NH4]+@9.87 9.87 TG(48:3) LipidMaps Bulk ID TG 49:0; [M+NH4]+@10.69 10.69 TG(49:0) LipidMaps Bulk ID TG 49:1; [M+NH4]+@10.47 10.47 TG(49:1) LipidMaps Bulk ID TG 49:2; [M+NH4]+@10.27 10.27 TG(49:2) LipidMaps Bulk ID TG 49:3; [M+NH4]+@10.04 10.04 TG(49:3) LipidMaps Bulk ID TG 50:0; [M+NH4]+@10.81 10.81 TG(50:0) LipidMaps Bulk ID TG 50:1; [M+NH4]+@10.55 10.55 TG(50:1) LipidMaps Bulk ID TG 50:2; [M+NH4]+@10.33 10.33 TG(50:2) LipidMaps Bulk ID TG 50:3; [M+NH4]+@10.13 10.13 TG(50:3) LipidMaps Bulk ID TG 50:4; [M+NH4]+@9.94 9.94 TG(50:4) LipidMaps Bulk ID TG 50:5; [M+NH4]+@9.74 9.74 TG(50:5) LipidMaps Bulk ID TG 51:1; [M+NH4]+@10.72 10.72 TG(51:1) LipidMaps Bulk ID TG 51:2; [M+NH4]+@10.52 10.52 TG(51:2) LipidMaps Bulk ID TG 51:3; [M+NH4]+@10.31 10.31 TG(51:3) LipidMaps Bulk ID TG 51:4; [M+NH4]+@10.13 10.13 TG(51:4) LipidMaps Bulk ID TG 52:0; [M+NH4]+@11.06 11.06 TG(52:0) LipidMaps Bulk ID TG 52:0; [M+Na]+@11.04 11.04 TG(52:0) LipidMaps Bulk ID TG 52:1; [M+NH4]+@10.79 10.79 TG(52:1) LipidMaps Bulk ID TG 52:2; [M+NH4]+@10.57 10.57 TG(52:2) LipidMaps Bulk ID TG 52:3; [M+NH4]+@10.38 10.38 TG(52:3) LipidMaps Bulk ID TG 52:4; [M+NH4]+@10.19 10.19 TG(52:4) LipidMaps Bulk ID TG 52:5; [M+NH4]+@10.00 10 TG(52:5) LipidMaps Bulk ID TG 52:6; [M+NH4]+@9.84 9.84 TG(52:6) LipidMaps Bulk ID TG 52:7; [M+NH4]+@9.64 9.64 TG(52:7) LipidMaps Bulk ID TG 53:1; [M+NH4]+@10.95 10.95 TG(53:1) LipidMaps Bulk ID TG 53:2; [M+NH4]+@10.74 10.74 TG(53:2) LipidMaps Bulk ID TG 53:3; [M+NH4]+@10.55 10.55 TG(53:3) LipidMaps Bulk ID TG 53:4; [M+NH4]+@10.36 10.36 TG(53:4) LipidMaps Bulk ID TG 53:5; [M+NH4]+@10.17 10.17 TG(53:5) LipidMaps Bulk ID TG 53:6; [M+NH4]+@10.00 10 TG(53:6) LipidMaps Bulk ID TG 54:0; [M+NH4]+@11.28 11.28 TG(54:0) LipidMaps Bulk ID TG 54:1; [M+NH4]+@11.06 11.06 TG(54:1) LipidMaps Bulk ID TG 54:2; [M+NH4]+@10.84 10.84 TG(54:2) LipidMaps Bulk ID TG 54:3; [M+NH4]+@10.64 10.64 TG(54:3) LipidMaps Bulk ID TG 54:4; [M+NH4]+@10.44 10.44 TG(54:4) LipidMaps Bulk ID TG 54:5; [M+NH4]+@10.24 10.24 TG(54:5) LipidMaps Bulk ID TG 54:6; [M+NH4]+@10.10 10.1 TG(54:6) LipidMaps Bulk ID TG 54:7; [M+NH4]+@9.92 9.92 TG(54:7) LipidMaps Bulk ID TG 54:8; [M+NH4]+@9.72 9.72 TG(54:8) LipidMaps Bulk ID TG 54:9; [M+NH4]+@9.49 9.49 TG(54:9) LipidMaps Bulk ID TG 55:1; [M+NH4]+@11.16 11.16 TG(55:1) LipidMaps Bulk ID TG 55:2; [M+NH4]+@10.97 10.97 TG(55:2) LipidMaps Bulk ID TG 55:3; [M+NH4]+@10.78 10.78 TG(55:3) LipidMaps Bulk ID TG 55:4; [M+NH4]+@10.58 10.58 TG(55:4) LipidMaps Bulk ID TG 55:6; [M+NH4]+@10.30 10.3 TG(55:6) LipidMaps Bulk ID TG 56:1; [M+NH4]+@11.30 11.3 TG(56:1) LipidMaps Bulk ID TG 56:10; [M+NH4]+@9.68 9.68 TG(56:10) LipidMaps Bulk ID TG 56:11; [M+NH4]+@9.48 9.48 TG(56:11) LipidMaps Bulk ID TG 56:2; [M+NH4]+@11.08 11.08 TG(56:2) LipidMaps Bulk ID TG 56:3; [M+NH4]+@10.89 10.89 TG(56:3) LipidMaps Bulk ID TG 56:4; [M+NH4]+@10.72 10.72 TG(56:4) LipidMaps Bulk ID TG 56:4; [M+Na]+@10.74 10.74 TG(56:4) LipidMaps Bulk ID TG 56:5; [M+NH4]+@10.56 10.56 TG(56:5) LipidMaps Bulk ID TG 56:6; [M+NH4]+@10.38 10.38 TG(56:6) LipidMaps Bulk ID TG 56:7; [M+NH4]+@10.18 10.18 TG(56:7) LipidMaps Bulk ID TG 56:8; [M+NH4]+@10.02 10.02 TG(56:8) LipidMaps Bulk ID TG 56:9; [M+NH4]+@9.83 9.83 TG(56:9) LipidMaps Bulk ID TG 57:5; [M+NH4]+@10.68 10.68 TG(57:5) LipidMaps Bulk ID TG 57:7; [M+NH4]+@10.37 10.37 TG(57:7) LipidMaps Bulk ID TG 58:1; [M+NH4]+@11.57 11.57 TG(58:1) LipidMaps Bulk ID TG 58:10; [M+NH4]+@9.96 9.96 TG(58:10) LipidMaps Bulk ID TG 58:11; [M+NH4]+@9.77 9.77 TG(58:11) LipidMaps Bulk ID TG 58:12; [M+NH4]+@9.61 9.61 TG(58:12) LipidMaps Bulk ID TG 58:2; [M+NH4]+@11.32 11.32 TG(58:2) LipidMaps Bulk ID TG 58:3; [M+NH4]+@11.12 11.12 TG(58:3) LipidMaps Bulk ID TG 58:4; [M+NH4]+@10.93 10.93 TG(58:4) LipidMaps Bulk ID TG 58:5; [M+NH4]+@10.79 10.79 TG(58:5) LipidMaps Bulk ID TG 58:6; [M+NH4]+@10.60 10.6 TG(58:6) LipidMaps Bulk ID TG 58:7; [M+NH4]+@10.43 10.43 TG(58:7) LipidMaps Bulk ID TG 58:8; [M+NH4]+@10.31 10.31 TG(58:8) LipidMaps Bulk ID TG 58:9; [M+NH4]+@10.16 10.16 TG(58:9) LipidMaps Bulk ID TG 60:1; [M+NH4]+@11.80 11.8 TG(60:1) LipidMaps Bulk ID TG 60:10; [M+NH4]+@10.21 10.21 TG(60:10) LipidMaps Bulk ID TG 60:11; [M+NH4]+@10.09 10.09 TG(60:11) LipidMaps Bulk ID TG 60:12; [M+NH4]+@9.89 9.89 TG(60:12) LipidMaps Bulk ID TG 60:13; [M+NH4]+@9.67 9.67 TG(60:13) LipidMaps Bulk ID TG 60:5; [M+NH4]+@11.05 11.05 TG(60:5) LipidMaps Bulk ID TG 60:9; [M+NH4]+@10.38 10.38 TG(60:9) LipidMaps Bulk ID TG 62:13; [M+NH4]+@9.92 9.92 TG(62:13) LipidMaps Bulk ID TG 62:14; [M+NH4]+@9.81 9.81 TG(62:14) LipidMaps Bulk ID TG 62:2; [M+NH4]+@11.88 11.88 TG(62:2) LipidMaps Bulk ID TG 64:17; [M+NH4]+@9.54 9.54 9546534 LMGL03012576 LipidMaps lysoPC 14:0; [M+H]+@1.15 1.15 LPC(14:0) LipidMaps Bulk ID lysoPC 15:0; [M+H]+@1.23 1.23 24779458 LMGP01050016 LipidMaps lysoPC 16:0; [M+H]+@1.62 1.62 LPC(16:0) LipidMaps Bulk ID lysoPC 16:1; [M+Na]+@1.18 1.18 LPC(16:1) LipidMaps Bulk ID lysoPC 17:1; [M+H]+@1.51 1.51 LPC(17:1) LipidMaps Bulk ID lysoPC 18:0; [M+H]+@2.43 2.43 LPC(18:0) LipidMaps Bulk ID lysoPC 18:1; [M+H]+@1.85 1.85 LPC(18:1) LipidMaps Bulk ID lysoPC 18:2; [M+H]+@1.38 1.38 LPC(18:2) LipidMaps Bulk ID lysoPC 18:3; [M+H]+@1.18 1.18 LPC(18:3) LipidMaps Bulk ID lysoPC 19:0; [M+H]+@2.96 2.96 24779472 LMGP01050041 LipidMaps lysoPC 20:0; [M+H]+@3.44 3.44 24779473 LMGP01050045 LipidMaps lysoPC 20:2; [M+H]+@2.04 2.04 52924053 LMGP01050132 LipidMaps lysoPC 20:3; [M+Na]+@1.50 1.5 LPC(20:3) LipidMaps Bulk ID lysoPC 22:0; [M+H]+@4.36 4.36 24779479 LMGP01050053 LipidMaps lysoPC 22:1; [M+H]+@3.48 3.48 LPC(22:1) LipidMaps Bulk ID lysoPC 22:4; [M+H]+@1.82 1.82 52924039 LMGP01050124 LipidMaps lysoPC 22:5; [M+H]+@1.53 1.53 LPC(22:5) LipidMaps Bulk ID lysoPC 22:6; [M+H]+@1.31 1.31 10415542 LMGP01050056 LipidMaps lysoPC 24:0; [M+H]+@5.27 5.27 24779481 LMGP01050057 LipidMaps lysoPC 24:1; [M+H]+@4.40 4.4 53480477 LMGP01050144 LipidMaps lysoPE 16:1; [M+H]+@1.23 1.23 LPE(16:1) LipidMaps Bulk ID lysoPE 18:0; [M+H]+@2.50 2.5 LPE(18:0) LipidMaps Bulk ID lysoPE 18:2; [M+H]+@1.35 1.35 LPE(18:2) LipidMaps Bulk ID lysoPE 20:4; [M+H]+@1.34 1.34 LPE(20:4) LipidMaps Bulk ID plasmenyl-PC 18:0; [M+Na]+@1.85 1.85 PC(P-18:0) LipidMaps Bulk ID plasmenyl-PC 20:0; [M+Na]+@2.61 2.61 PC(P-20:0) LipidMaps Bulk ID plasmenyl-PC 24:0; [M+Na]+@4.41 4.41 plasmenyl-PC 24:0 LipidBLAST plasmenyl-PC 36:3; [M+Na]+@6.77 6.77 PC(P-36:3) LipidMaps Bulk ID plasmenyl-PC 36:4; [M+Na]+@6.67 6.67 PC(P-36:4) LipidMaps Bulk ID plasmenyl-PC 38:3; [M+Na]+@7.17 7.17 PC(P-38:3) LipidMaps Bulk ID plasmenyl-PC 40:3; [M+Na]+@7.94 7.94 PC(P-40:3) LipidMaps Bulk ID plasmenyl-PC 42:4; [M+Na]+@8.07 8.07 PC(P-42:4) LipidMaps Bulk ID plasmenyl-PC 44:4; [M+Na]+@8.58 8.58 plasmenyl-PC 44:4 LipidBLAST plasmenyl-PE 34:1; [M+H]+@7.22 7.22 PE(P-34:1) LipidMaps Bulk ID plasmenyl-PE 36:4; [M+H]+@6.70 6.7 PE(P-36:4) LipidMaps Bulk ID plasmenyl-PE 38:5; [M+H]+@6.73 6.73 PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 38:6; [M+H]+@6.63 6.63 PE(P-38:6) LipidMaps Bulk ID plasmenyl-PE 40:4; [M+H]+@7.86 7.86 PE(P-40:4) LipidMaps Bulk ID METABOLITES_END #END