#METABOLOMICS WORKBENCH nuean_20211223_030043 DATATRACK_ID:3005 STUDY_ID:ST002042 ANALYSIS_ID:AN003393 PROJECT_ID:PR001289 VERSION 1 CREATED_ON January 3, 2022, 10:33 am #PROJECT PR:PROJECT_TITLE Investigation of long-term metabolic alteration after stroke in tMCAO (transient PR:PROJECT_TITLE middle cerebral artery occlusion) mouse model using metabolomics approach PR:PROJECT_SUMMARY Investigation of changes in brain damage and long-term metabolic changes caused PR:PROJECT_SUMMARY by stroke in a transient middle cerebral artery occlusion (tMCAO) PR:INSTITUTE Korea institute of science and technology PR:LAST_NAME Yoon PR:FIRST_NAME Naeun PR:ADDRESS 5, hwa-rang ro 14 gil, Seong-buk,, Seoul, seoul, 02751, Korea, South PR:EMAIL betteryun@kist.re.kr PR:PHONE 029585145 #STUDY ST:STUDY_TITLE Long-term metabolic profiling in transient middle cerebral artery occlusion ST:STUDY_TITLE (tMCAO) mouse model ST:STUDY_SUMMARY we investigated the long-term metabolic changes caused by stroke in a transient ST:STUDY_SUMMARY middle cerebral artery occlusion (tMCAO). ST:INSTITUTE KIST ST:LAST_NAME Naeun ST:FIRST_NAME Yoon ST:ADDRESS 5, Hwarang ro 14 gil, songbuk-gu, Seoul ST:EMAIL betteryun@kist.re.kr ST:PHONE 82-10-9091-5149 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 1dM_1 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_1.raw SUBJECT_SAMPLE_FACTORS - 1dM_2 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_2.raw SUBJECT_SAMPLE_FACTORS - 1dM_3 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_3.raw SUBJECT_SAMPLE_FACTORS - 1dM_4 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_4.raw SUBJECT_SAMPLE_FACTORS - 1dM_5 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_5.raw SUBJECT_SAMPLE_FACTORS - 1dM_6 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_6.raw SUBJECT_SAMPLE_FACTORS - 1dM_7 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_7.raw SUBJECT_SAMPLE_FACTORS - 1dM_8 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_8.raw SUBJECT_SAMPLE_FACTORS - 1dM_9 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_9.raw SUBJECT_SAMPLE_FACTORS - 1dM_10 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_10.raw SUBJECT_SAMPLE_FACTORS - 1dM_11 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_11.raw SUBJECT_SAMPLE_FACTORS - 1dM_12 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_12.raw SUBJECT_SAMPLE_FACTORS - 1dM_13 time point:1-day Variant=tMCAO; RAW_FILE_NAME=1dM_13.raw SUBJECT_SAMPLE_FACTORS - 1mM_1 time point:1-month Variant=tMCAO; RAW_FILE_NAME=1mM_1.raw SUBJECT_SAMPLE_FACTORS - 1mM_2 time point:1-month Variant=tMCAO; RAW_FILE_NAME=1mM_2.raw SUBJECT_SAMPLE_FACTORS - 1mM_3 time point:1-month Variant=tMCAO; RAW_FILE_NAME=1mM_3.raw SUBJECT_SAMPLE_FACTORS - 1mM_4 time point:1-month Variant=tMCAO; RAW_FILE_NAME=1mM_4.raw SUBJECT_SAMPLE_FACTORS - 1mM_5 time point:1-month Variant=tMCAO; RAW_FILE_NAME=1mM_5.raw SUBJECT_SAMPLE_FACTORS - 1wM_1 time point:1-week Variant=tMCAO; RAW_FILE_NAME=1wM_1.raw SUBJECT_SAMPLE_FACTORS - 1wM_2 time point:1-week Variant=tMCAO; RAW_FILE_NAME=1wM_2.raw SUBJECT_SAMPLE_FACTORS - 1wM_3 time point:1-week Variant=tMCAO; RAW_FILE_NAME=1wM_3.raw SUBJECT_SAMPLE_FACTORS - 1wM_4 time point:1-week Variant=tMCAO; RAW_FILE_NAME=1wM_4.raw SUBJECT_SAMPLE_FACTORS - 1wM_5 time point:1-week Variant=tMCAO; RAW_FILE_NAME=1wM_5.raw SUBJECT_SAMPLE_FACTORS - 1wM_6 time point:1-week Variant=tMCAO; RAW_FILE_NAME=1wM_6.raw SUBJECT_SAMPLE_FACTORS - 1wM_7 time point:1-week Variant=tMCAO; RAW_FILE_NAME=1wM_7.raw SUBJECT_SAMPLE_FACTORS - 6mM_1 time point:6-month Variant=tMCAO; RAW_FILE_NAME=6mM_1.raw SUBJECT_SAMPLE_FACTORS - 6mM_2 time point:6-month Variant=tMCAO; RAW_FILE_NAME=6mM_2.raw SUBJECT_SAMPLE_FACTORS - 6mM_3 time point:6-month Variant=tMCAO; RAW_FILE_NAME=6mM_3.raw SUBJECT_SAMPLE_FACTORS - 6mM_4 time point:6-month Variant=tMCAO; RAW_FILE_NAME=6mM_4.raw SUBJECT_SAMPLE_FACTORS - 6mM_5 time point:6-month Variant=tMCAO; RAW_FILE_NAME=6mM_5.raw SUBJECT_SAMPLE_FACTORS - 6mM_6 time point:6-month Variant=tMCAO; RAW_FILE_NAME=6mM_6.raw SUBJECT_SAMPLE_FACTORS - 6mS_1 time point:6-month Variant=sham; RAW_FILE_NAME=6mS_1.raw SUBJECT_SAMPLE_FACTORS - 6mS_2 time point:6-month Variant=sham; RAW_FILE_NAME=6mS_2.raw SUBJECT_SAMPLE_FACTORS - 6mS_3 time point:6-month Variant=sham; RAW_FILE_NAME=6mS_3.raw SUBJECT_SAMPLE_FACTORS - 6mS_4 time point:6-month Variant=sham; RAW_FILE_NAME=6mS_4.raw SUBJECT_SAMPLE_FACTORS - N_1 time point:1-day Variant=naive; RAW_FILE_NAME=N_1.raw SUBJECT_SAMPLE_FACTORS - N_2 time point:1-day Variant=naive; RAW_FILE_NAME=N_2.raw SUBJECT_SAMPLE_FACTORS - N_3 time point:1-day Variant=naive; RAW_FILE_NAME=N_3.raw SUBJECT_SAMPLE_FACTORS - N_4 time point:1-day Variant=naive; RAW_FILE_NAME=N_4.raw SUBJECT_SAMPLE_FACTORS - N_5 time point:1-day Variant=naive; RAW_FILE_NAME=N_5.raw SUBJECT_SAMPLE_FACTORS - N_6 time point:1-day Variant=naive; RAW_FILE_NAME=N_6.raw SUBJECT_SAMPLE_FACTORS - N_7 time point:1-day Variant=naive; RAW_FILE_NAME=N_7.raw SUBJECT_SAMPLE_FACTORS - N_8 time point:1-day Variant=naive; RAW_FILE_NAME=N_8.raw SUBJECT_SAMPLE_FACTORS - sham_1 time point:1-day Variant=sham; RAW_FILE_NAME=sham_1.raw SUBJECT_SAMPLE_FACTORS - sham_2 time point:1-day Variant=sham; RAW_FILE_NAME=sham_2.raw SUBJECT_SAMPLE_FACTORS - sham_3 time point:1-day Variant=sham; RAW_FILE_NAME=sham_3.raw SUBJECT_SAMPLE_FACTORS - sham_4 time point:1-day Variant=sham; RAW_FILE_NAME=sham_4.raw SUBJECT_SAMPLE_FACTORS - sham_5 time point:1-day Variant=sham; RAW_FILE_NAME=sham_5.raw SUBJECT_SAMPLE_FACTORS - sham_6 time point:1-week Variant=sham; RAW_FILE_NAME=sham_6.raw SUBJECT_SAMPLE_FACTORS - sham_7 time point:1-week Variant=sham; RAW_FILE_NAME=sham_7.raw SUBJECT_SAMPLE_FACTORS - sham_8 time point:1-week Variant=sham; RAW_FILE_NAME=sham_8.raw SUBJECT_SAMPLE_FACTORS - sham_9 time point:1-week Variant=sham; RAW_FILE_NAME=sham_9.raw SUBJECT_SAMPLE_FACTORS - sham_10 time point:1-month Variant=sham; RAW_FILE_NAME=sham_10.raw SUBJECT_SAMPLE_FACTORS - sham_11 time point:1-month Variant=sham; RAW_FILE_NAME=sham_11.raw SUBJECT_SAMPLE_FACTORS - sham_12 time point:1-month Variant=sham; RAW_FILE_NAME=sham_12.raw SUBJECT_SAMPLE_FACTORS - sham_13 time point:1-month Variant=sham; RAW_FILE_NAME=sham_13.raw SUBJECT_SAMPLE_FACTORS - sham_14 time point:1-month Variant=sham; RAW_FILE_NAME=sham_14.raw #COLLECTION CO:COLLECTION_SUMMARY Plasma was obtained from the blood samples upon centrifugation and stored at CO:COLLECTION_SUMMARY −80 °C until analysis. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY The mouse model was induced via MCAO using a 6-0 nylon monolayer suture. Animals TR:TREATMENT_SUMMARY were anesthetized with 2% isoflurane in 30% oxygen and 70% nitrous oxide using a TR:TREATMENT_SUMMARY face mask. The mice were anesthetized, and blood was collected by retro-orbital TR:TREATMENT_SUMMARY bleeding using sterile capillary tubes. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY plasma samples were processed through a simple protein precipitation technique SP:SAMPLEPREP_SUMMARY using 150 µL of ice-cold methanol using plasma methanol ratio of 1:3. After the SP:SAMPLEPREP_SUMMARY addition of methanol, the mixture was then vortexed and centrifuged at 20,800×g SP:SAMPLEPREP_SUMMARY for 10 min at 4 °C. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Normal phase CH:INSTRUMENT_NAME Orbitrap Velos Pro mass spectrometer system CH:COLUMN_NAME ACQUITY UPLC BEH C18 column #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Velos LTQ Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples 1dM_1 1dM_2 1dM_3 1dM_4 1dM_5 1dM_6 1dM_7 1dM_8 1dM_9 1dM_10 1dM_11 1dM_12 1dM_13 1mM_1 1mM_2 1mM_3 1mM_4 1mM_5 1wM_1 1wM_2 1wM_3 1wM_4 1wM_5 1wM_6 1wM_7 6mM_1 6mM_2 6mM_3 6mM_4 6mM_5 6mM_6 6mS_1 6mS_2 6mS_3 6mS_4 N_1 N_2 N_3 N_4 N_5 N_6 N_7 N_8 sham_1 sham_2 sham_3 sham_4 sham_5 sham_6 sham_7 sham_8 sham_9 sham_10 sham_11 sham_12 sham_13 sham_14 Factors time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-month time point:1-month time point:1-month time point:1-month time point:1-month time point:1-week time point:1-week time point:1-week time point:1-week time point:1-week time point:1-week time point:1-week time point:6-month time point:6-month time point:6-month time point:6-month time point:6-month time point:6-month time point:6-month time point:6-month time point:6-month time point:6-month time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-day time point:1-week time point:1-week time point:1-week time point:1-week time point:1-month time point:1-month time point:1-month time point:1-month time point:1-month 1-Hydroxy-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine 2431.510799 1536.554719 1876.303891 3629.753027 2814.692211 2740.385847 1665.682198 1637.681081 1075.673043 1310.025507 1417.125609 1635.321711 1208.011559 921.2497351 920.9331759 921.2759354 912.8987694 916.5940092 922.5300154 1183.501654 1438.882153 915.1527446 918.5795175 1108.57668 1053.776115 922.7367423 915.6031002 921.5738265 910.6519605 929.1524563 1203.734403 919.3556734 1178.371117 921.6864031 1039.363311 1157.056535 911.5888569 915.6973799 923.8333261 920.5528772 925.8457595 1125.27438 922.2292266 960.4788211 923.9677999 915.0335395 919.0102473 908.6139367 921.2488765 912.3712795 927.9956724 922.2908058 1162.27316 922.6519839 911.4379212 915.2231901 912.2283494 Glycerophospho-N-Palmitoyl Ethanolamine 38555.48386 36860.13717 43418.51991 35340.86203 43419.59265 40245.93492 26351.78997 39814.82138 40471.69088 37058.88741 41134.22259 36562.50762 31346.72976 33556.6161 39777.77037 37334.86881 38767.36286 38250.93067 41221.49694 36030.27715 32841.36811 41616.10192 35571.67581 38089.14107 37087.17153 33656.29662 34711.76866 38909.79763 37577.91045 36475.99292 34035.01651 40125.90426 32340.11454 38465.60025 32677.97331 39296.73959 35401.80222 37665.23307 35168.72922 37493.03582 43338.22176 35315.60681 34071.75915 38164.59236 30813.29727 36470.25762 41007.67028 29726.58201 29011.89134 33837.37271 31829.67536 39210.78616 34319.85962 36438.76522 32248.41037 30447.77475 30476.60335 12-HETE 44542.7639 59759.73216 45746.16916 22141.60734 37167.42097 37298.45277 94808.45109 46486.68241 50817.54089 44992.54445 28964.49046 74170.44245 51613.2377 73071.71956 89273.43363 94322.15292 87044.27306 86100.91285 51837.50017 67399.98687 66961.18698 96062.39759 79275.13216 113486.1349 98525.48949 78478.3229 63538.41663 66372.22246 93329.23901 57195.08275 72575.90134 60017.88559 73621.52709 87574.0402 73876.66437 68367.36541 77836.64846 61061.08133 61722.7599 76925.26954 64777.55409 67648.25271 63511.83751 62619.83312 85798.78134 95211.66116 79994.38015 85153.96287 95941.64566 89058.58979 79391.69782 85389.50747 72062.38904 91741.15019 77912.57847 83394.97748 111926.1997 (4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid 4457.390461 4084.373373 3662.601595 3139.53983 3393.503192 3715.460737 3934.02336 4012.432069 3834.986736 3849.489065 3184.139661 3649.353145 4078.658213 3198.250951 3176.823068 3218.579586 3723.928008 3956.582293 3211.634075 3432.6034 3213.160258 3744.172294 2626.540994 4055.935482 3883.756405 3811.588429 3862.041503 3599.930471 2875.263829 4242.513341 3493.263119 2670.953749 3261.34355 3235.297192 2992.355324 2189.6511 2939.6467 3042.690664 3661.511943 2956.936162 2710.818725 3133.362289 3380.366878 4173.724816 3496.89924 3495.895496 3562.53928 3674.247758 3819.213475 3667.388319 2716.901931 3715.59795 4022.597385 2853.110259 3704.98796 3216.418392 3449.145011 12-Hydroxyoctadecanoic acid 5343.24233 1776.312919 5646.579451 3215.169028 3030.679866 2517.440327 1996.153328 3762.827829 5336.653916 3540.670245 5413.366056 2840.507192 4073.730067 3158.595794 768.4983083 723.0231766 2911.444016 1212.902514 331.4000378 334.6583426 733.1671118 859.5582415 573.0790883 2440.460302 1295.209233 3602.515827 1397.381409 7274.312711 4779.001701 3152.259485 5305.181334 332.3618822 1873.224338 1914.292209 1415.373687 1611.557134 1751.697351 2872.574923 2684.061117 413.3158436 2562.61296 4065.124384 488.9402172 1122.121316 1213.688711 1052.50616 1801.476561 2341.564617 2075.45719 614.9702251 885.4021953 1482.659088 1785.819354 3562.284293 3420.921978 3581.403693 5116.694017 7Z, 10Z, 13Z, 16Z, 19Z-docosapentaenoic acid 2757.806016 1087.299279 1045.752234 585.7134046 1345.081422 1196.262054 1931.419988 1837.504695 612.06954 2140.399931 886.0054984 787.9749161 735.8379896 1200.923605 4438.564559 3732.508322 1477.988858 3933.382106 241.7970258 269.7847546 657.7463151 241.6475767 242.4285982 2832.562535 352.6419977 400.7709109 2338.755704 434.4927372 1119.218675 495.4050865 328.023891 284.3319401 1448.494832 2215.959359 1698.807152 3022.007589 2140.820838 998.0605442 6141.04238 5512.488879 1307.051401 1195.857054 2943.720289 447.7113309 987.5530538 1135.296144 955.5612168 5503.263316 6367.470185 4033.655661 3926.435804 5937.347006 5377.952079 8590.427371 8962.542333 8089.24785 11502.64521 12(R)-HEPE 1021.856541 1147.362554 1062.148573 426.637052 681.0417232 1062.003025 556.7690281 981.7984174 350.2952198 412.4519219 350.809341 849.5146014 350.5982126 1247.409121 3081.647236 3001.438274 2290.969237 1942.991813 1358.525062 1878.010538 1816.283862 893.0139783 1003.364431 2181.753165 636.2029212 875.7155844 1789.11643 1008.557212 1493.576487 914.9311477 621.0416863 851.7199286 1803.794745 2515.122199 1139.090294 1519.112779 1108.80021 1763.993816 2711.751293 2525.143375 1677.673011 1796.395984 1657.154185 1745.118993 2010.088412 2293.014203 2887.615233 2692.504801 2576.736247 2736.241426 3101.584783 3974.502216 2665.259913 2721.929546 2040.066322 2277.66521 4495.896801 Leucinic acid 23217.61133 21642.24955 22651.39811 22024.76761 24847.38263 23799.52655 18962.78186 21573.40524 21177.44414 20725.21205 19164.92186 21891.44256 21904.6028 18249.93736 15335.40192 18962.18531 19326.48411 16725.16406 19241.48803 20316.45412 18256.71093 20809.84397 21885.2198 9695.45348 21284.12045 17730.53826 20870.29473 20432.56333 20634.99147 17205.49163 19164.19126 23025.86118 20216.77659 21411.00316 18823.82388 19439.23269 16517.96517 21200.95136 18971.19772 21317.33499 18423.98903 18712.89056 18027.47217 21036.3256 19216.71234 21792.8195 18326.7114 18762.17443 21632.708 17807.70541 16721.09461 22404.01505 19746.07779 17702.89618 19528.83094 17406.75702 18804.59962 9,10-DiHOME 15423.76469 32367.23126 6648.798963 19807.33348 42634.99878 11530.89648 30714.64759 18862.1946 34869.51975 18225.58069 27204.33849 25569.01552 27221.71897 292.2498357 290.5542074 949.5988714 6422.067371 1127.84384 291.4297787 289.8628697 289.7013106 437.0565391 292.8045006 343.4144872 294.0607934 6326.169721 292.3861386 4434.026027 289.8604776 301.2539383 5005.903695 292.8201452 472.0108378 557.1736312 293.7308469 3263.532764 2946.590373 9629.852266 299.5269315 604.3877975 8963.769227 9924.63076 616.7901584 2927.769226 771.8466027 918.2649541 291.9147786 945.4339432 979.614593 364.1275476 289.7036218 927.6348759 932.2383767 21745.73971 3137.084529 19943.1448 3788.228045 12,13-EODE 2990.477461 1234.522496 2063.403872 1474.804379 1672.921176 1183.25922 1020.015432 1978.630095 1452.141671 1393.058181 7433.26927 1528.429953 1468.925216 1393.235891 1444.89034 1317.942129 1156.454155 1380.106969 1279.541377 820.873506 877.5285068 691.8432549 832.938431 600.0456956 502.5652513 1554.470737 1332.879366 1432.473448 1439.927149 1391.864848 1050.724203 1128.401921 1070.444125 1196.79746 1180.762105 1256.028325 980.809142 1165.426783 2114.68344 1044.959 907.1776689 907.3925967 525.9141911 712.5495244 773.7727308 651.1987115 893.8252728 3627.846942 3305.899462 1324.112973 1756.379668 1981.52125 1657.427214 2123.809614 2167.301426 1762.911353 2511.184752 Acetyl-DL-Leucine 693.4781649 774.6404618 1549.020965 945.2554665 845.2250518 692.2074483 664.2952156 966.1261883 608.0398397 779.692103 698.0311774 609.7862639 714.133007 8114.063167 4686.012833 2996.605077 3955.505913 5225.164308 2125.654363 1383.548943 2885.919848 677.0903896 1180.127409 816.1735824 824.0284467 1818.836363 4502.890966 4839.803196 5606.833095 2218.749319 1525.756607 2655.648115 2629.838878 2652.443071 7181.489177 9142.362687 18324.80962 2869.231756 1256.983325 7732.009909 2965.675059 2872.516665 18387.13537 612.2564527 1241.543108 948.4202498 848.8743816 1684.68709 1271.276759 3351.710879 2636.531049 1943.99433 1446.597692 4760.987188 4299.683748 4088.654372 6337.780944 DL-Indole-3-lactic acid (3-Indolelactic acid) 37237.81842 12608.72644 12495.22709 17330.18922 15883.57694 25214.81942 24914.76172 12182.21242 18991.56771 10577.3658 37874.97088 21620.68095 12103.27466 6790.143722 10635.49639 3500.966482 7270.683656 6118.505862 11886.0683 6631.915958 6704.723893 11778.59393 13762.67411 3483.795016 11465.60008 46027.95944 7696.012231 8925.818282 18322.44797 20296.50501 6492.605608 6730.555668 6991.381782 8071.221448 7077.422168 8373.732299 68431.99406 26271.8956 10308.51029 16731.90342 14667.62704 6913.232454 20299.97374 6837.338991 38124.66487 14076.44568 16454.83382 19270.41475 34226.58756 7742.65534 26173.53747 13037.03034 11216.4892 11163.09231 9135.103499 11301.45844 6252.638808 15-HETE 8176.244857 9300.152535 8576.098753 8683.642327 9497.447156 7444.844182 4816.661705 7450.97511 6227.18499 6710.293368 7968.656061 5973.154437 6237.684237 2777.656095 2581.157121 2692.824138 4850.833162 2849.853959 1170.320785 3718.69949 2707.782828 3792.875403 4018.928 6474.84022 6295.211189 3527.316807 1727.528872 3423.88469 3164.728746 3708.835522 3411.214833 2408.558301 3206.271068 3773.703552 2610.118285 2574.008669 1320.630779 3877.59511 6099.965605 2067.830315 3275.12696 4480.194368 394.4493753 5884.625116 7255.405244 8388.838792 5671.979208 5724.980921 6663.394845 2377.062931 3467.096502 7222.3711 4551.338959 5607.460456 5594.341053 3704.272566 5053.877221 13-Hydroxyoctadeca-9,11-dienoic acid (13-HODE) 1045.450913 922.3525877 1539.048674 901.8079077 1322.702364 1132.735251 555.6519407 1274.986349 848.8845248 902.3379016 1798.336434 686.0343058 1045.901568 1711.940704 1127.149294 1219.246969 1389.145376 980.9891779 506.5545335 613.8911482 452.1914847 651.1226384 502.4898119 734.2757923 1183.616075 2001.600041 1101.889456 3378.151569 2867.978662 1341.938953 2234.342777 519.4477469 585.7868789 902.9238683 879.4038828 664.5272474 324.1220342 823.5257507 647.9657663 421.6157709 711.7477531 743.8982827 264.8603731 351.8531857 565.5816227 525.7278965 721.9655403 892.7030208 1105.437562 445.9785834 571.5050403 1005.257332 445.4525612 1248.958464 1109.387129 2168.095603 2510.739132 Tridecanedioic acid 736.942609 740.4124098 787.2569852 738.4214825 734.7874377 762.4099183 742.822022 735.1739641 739.18717 739.2747809 816.4231479 739.2014988 742.4548127 1598.2713 853.1160475 1116.145318 733.8630584 770.708981 972.5632215 1185.403139 1124.893578 741.8628263 750.8247671 737.4364959 734.9559646 995.6182263 2100.502616 2194.113067 2345.45886 742.0435423 1013.483744 969.4160365 923.7735947 1121.823838 3774.493958 5667.07073 29100.85726 1349.600084 732.0691386 4181.85726 1338.502607 1474.760299 17403.77903 733.8054686 773.4256046 739.9587501 858.2546312 752.8683447 741.5771222 976.9750392 736.2704265 737.8802077 741.2869819 738.9186893 730.9569569 760.3081992 823.1311846 13-HOTrE 38556.01817 6057.04927 21341.16102 36971.20064 30448.00292 41270.67724 39729.88202 24156.15155 26286.93325 21541.28619 45637.09779 42781.93703 4576.042105 18520.95512 17122.00342 5248.933165 10019.05074 14348.32655 7007.801277 12607.01038 549.3960832 21036.076 21183.52557 11730.92701 5914.427846 69985.92586 15875.25393 7908.650067 26806.21006 43804.38419 13593.38815 13963.56237 10444.23682 15764.3937 3362.777795 12276.4396 115470.7018 22161.52771 14619.89755 21268.48829 33438.8252 15798.46291 46771.15747 9582.393446 1858.718275 20505.35572 13794.42391 30101.48006 37652.59798 11453.75471 80217.89835 26886.38172 21434.78134 9198.692118 17089.7016 19261.32248 16259.70661 16-HDoHE 4337.744527 3660.419212 6102.876653 11667.71017 11607.18435 3229.614917 2193.878646 4625.393877 10825.44803 7712.546136 8330.350544 1833.346016 2942.5594 79522.74226 127453.0638 41077.59033 76304.29563 112915.4018 928.5773422 798.4330977 831.0586859 643.362785 595.4338105 1796.224897 1129.142854 55128.82956 67101.06449 151155.6326 87935.61426 116295.1769 75809.68072 8059.734329 6894.57025 9050.675166 13738.69575 867.6579313 1762.987271 1135.630577 612.7823979 1039.986933 1053.308493 1372.096981 1929.824348 3972.258427 551.8615085 1373.408315 3913.397224 1125.234836 1089.941379 1595.992629 1985.719197 2447.156659 1698.887544 152880.3415 188117.7673 145016.1799 218632.9762 Cer[NS] d37:1 241.4372494 243.3952203 241.1939916 252.9918669 239.6808209 243.0316188 246.1169641 238.899757 239.2564495 245.8013169 240.5080859 237.9833209 238.3461616 2574.822272 2014.115434 1074.266598 1609.05515 1463.260965 244.4651548 240.5794517 443.6607886 889.8917557 928.2323179 274.9367405 271.0750344 933.1435835 679.4435546 239.2056059 241.3849928 999.3215422 304.857336 241.3767348 238.9599161 295.3796659 314.7602891 238.1873303 236.7901847 238.9461054 940.1685789 238.4437081 240.3956827 239.8245547 243.7633317 238.2443838 289.052595 343.1284407 2573.865203 2077.51874 3073.872722 799.9053264 1112.913381 1055.220821 840.8047516 1002.394311 440.6494748 708.9938096 489.758289 adrenic acid 9760.604247 9077.141912 10520.80158 10507.27868 10904.80244 10281.89033 7986.611632 10857.32819 11182.53725 9666.516552 11356.74476 10593.46761 8794.336217 7253.534056 9473.73626 8346.535436 8638.139123 8780.916987 10842.63567 9141.848709 9172.326491 10171.93639 8831.772417 9291.879495 9227.174809 6494.195003 8560.120187 9040.504824 8984.393719 8603.328994 7951.463047 11226.05059 7920.653272 8854.756692 9021.380281 9843.338818 8074.675117 9048.317822 9699.098037 9916.045068 9464.742058 8370.076482 8504.741026 9170.072098 8606.497848 5308.792345 10218.45868 7892.460181 7161.224473 7002.405798 9397.634597 9722.090019 7837.222013 8843.030644 7244.606157 6082.142042 4885.269267 DG 31:1 253.8968968 217.5397438 220.769144 663.9388512 460.6190728 303.2792936 1408.591742 219.4664085 219.5246133 3377.272482 519.3180836 219.2606851 218.0818027 287.9472929 218.5741616 218.6020295 1189.407558 217.8661559 3285.435911 305.4693938 317.6193075 457.7751517 221.0168401 224.4588495 276.6116175 221.0012622 218.3546564 269.2903026 220.4042452 222.1288694 219.8294101 222.0158278 217.8836289 219.3458719 3264.327707 257.0304726 219.6011016 253.5808718 1557.84568 449.4801959 218.4347346 219.6701977 306.7204865 220.733732 221.1787713 219.7645701 218.3124103 218.6267374 1924.328731 218.6940068 217.3519758 222.8917704 217.0534106 219.4364335 3388.086436 451.0258402 220.8219828 Arachidonic acid 363.0912986 365.9144719 366.7242713 366.159249 366.8035755 380.5926308 366.497844 363.9748484 368.999908 366.0282934 373.9582951 369.0070609 371.987658 367.3589508 370.0186993 367.1982511 364.626281 369.2397418 893.0578227 668.9191601 2377.897326 370.3355872 367.9978469 367.573383 368.6536399 365.7750251 366.4902146 368.9725607 376.0872189 366.6541782 369.1388716 2621.974505 3110.295185 4554.931481 2674.16608 5271.080257 5245.753603 3623.753604 364.9618982 3213.747118 2962.848049 2549.315707 4044.499238 366.3133796 368.8207777 366.8505151 368.100648 367.888088 367.5189784 5063.039859 3343.653618 367.6649158 370.0481275 368.8658833 366.4724931 373.5868183 367.8243252 9-Oxooctadecanoic acid 1233.36181 1124.198503 644.8468413 1869.710882 638.5410562 844.4493745 497.0444851 1136.888529 739.2508927 1539.759463 1433.364446 1973.520592 940.5826331 175.2355915 175.4630335 175.7786471 313.7570665 249.1813511 174.3848799 174.3453823 175.3045385 348.4795482 868.0516985 354.579997 428.6243683 174.2803393 173.9725764 194.3655747 175.4343607 209.5277205 173.0157715 174.0552483 174.5866243 175.1354402 175.6391345 174.9375063 184.7936457 176.2920222 298.5542305 175.3481578 174.9282573 174.5336133 176.3775584 713.6850923 433.5466288 215.0880718 492.1012744 618.3732666 556.6444215 173.6377027 174.4639312 583.1525527 512.7147271 398.8718605 426.12112 173.7323704 195.2873736 Phosphatidylcholine lyso 19:0 429.4820806 424.2596676 430.9094256 430.9800013 433.8316841 424.6394819 431.018434 429.8950006 432.0440541 429.4673842 430.6512458 430.7640005 427.8254183 428.5000943 432.5487411 433.2876027 429.5259666 428.7053046 855.2572272 424.7132317 427.6216459 425.6809651 426.9279381 426.4830338 424.4324967 428.6674333 428.9443427 429.7543137 520.1493499 432.5228779 433.7181942 428.1919142 427.6062622 577.5479111 934.3213099 1328.145387 1712.488004 429.7653282 428.6145839 1051.104237 437.2822393 427.5828827 1329.22384 425.6289722 431.5390795 426.3157092 429.169035 426.39804 425.8421949 494.0933091 501.1235206 427.712917 430.7359649 429.8984006 430.0917764 425.663361 430.7648185 Phosphatidylcholine lyso 18:0 3779.261425 2378.783907 5272.73736 1678.077003 4128.91275 3497.191692 2423.497325 3990.078437 3065.175242 3324.307311 3437.598673 4325.410045 3376.949189 3067.61515 3475.506295 3028.648603 2421.08976 2570.151117 2502.359577 2276.848593 3278.558311 5021.889437 2613.032039 2389.269818 2263.541894 3966.906696 3096.421929 2927.885145 6009.747879 3869.93576 3657.201919 3554.177274 2806.931746 4071.354464 2061.194488 3188.582045 3579.960342 2972.028153 1967.469493 4324.236744 2995.108467 3090.618453 2523.634 3055.044368 2667.210934 5931.124282 3306.046573 2495.152948 2940.076652 2052.387287 5462.564541 3084.092435 2116.661688 3699.072947 1554.084251 2468.470949 2465.845109 Dihomo-alpha-linolenic acid 86909.57734 95052.87379 83581.29365 81740.10328 102494.8551 90538.67467 110056.7599 87164.30397 134749.0315 105072.2238 121798.4677 105089.8997 102076.2297 128138.0029 116113.7178 95415.89452 162021.9016 126174.7787 155943.6974 168507.4181 159601.2762 150689.536 143551.051 101460.3378 140697.7353 117419.5738 110305.2115 144017.6077 168080.3248 125433.0891 141062.3776 116196.8282 117865.662 141312.7381 119233.4394 141670.599 129797.8835 161164.8918 103185.1265 112297.5596 102122.571 118583.5115 130840.8751 185520.6228 102584.6485 144579.3899 123175.6654 113571.6452 139786.3825 121451.5155 122987.4682 135094.7373 107168.4346 94802.75203 82948.51776 94373.52409 97284.23179 9-KODE 210.2971394 209.651745 209.5041774 210.4917484 209.3647012 210.755259 208.8730376 210.7344842 210.3619317 210.7803931 3653.981312 210.9808448 210.5438873 210.0656612 209.510463 208.4596263 208.3172225 211.6284042 208.2046744 210.7797455 209.9264407 209.6184936 2421.5291 210.7691165 211.8195059 210.7197006 211.6889571 212.1143009 209.2476406 209.7539255 210.7518414 209.3069666 211.0367289 207.179514 210.1055581 209.5864926 208.4795965 208.684413 212.304893 210.2182072 210.9768258 209.8586664 213.2496966 208.0757865 210.0412904 209.8646151 210.3780898 213.7094917 211.3180687 209.8985097 212.1523441 207.6750941 209.2414611 211.1940542 210.7027876 212.4052904 212.1505666 Gamma-Glu-Leu 204.9599806 207.5820613 205.0530022 206.8786407 204.4983569 206.7922139 206.6109291 204.8986767 204.806185 206.1094922 335.7228031 206.0690384 206.4746871 206.6998038 205.5995928 206.4392155 204.9260902 204.9926638 202.8080544 205.2238069 204.9828889 207.0732089 264.56431 204.7113043 203.5897005 206.6755021 207.0422587 206.4946107 207.126179 204.4613687 207.3737251 205.2473725 204.5969748 207.7311123 205.7065541 206.4540735 205.5946483 209.084418 206.9395258 208.0187995 204.7211451 205.7391401 205.8677153 203.1944213 204.4959573 203.2135981 203.3500923 205.0957449 203.1585468 204.4108299 204.211511 207.084625 205.5416355 204.6101101 203.5876819 204.3695401 205.3398795 Glucose (isobar) 350.136368 277.2482734 366.0568095 442.2805582 1195.53367 433.2429566 272.4188048 273.9750217 333.1093063 276.3449158 152067.3201 272.7577725 366.3257599 550.1012671 316.067728 278.4807558 8780.200332 3092.382763 469.3368015 556.2386743 276.5088258 428.3067746 306025.5949 274.3953771 2538.678828 275.0698485 1104.693148 276.0758159 568.3817099 4508.073227 2764.463299 456.226238 4647.936159 5298.198966 2877.889861 4317.783461 3430.539084 2060.456552 302.0264586 971.0008403 375.8184352 2664.292742 2745.056298 445.0244529 411.9522778 309.7182356 308.1023509 3484.942595 4034.493678 4967.1394 834.1989998 272.537536 275.5290814 382.1140314 12051.36609 814.4163397 16243.37867 Phosphatidylethanolamine lyso 22:6 355.4719215 355.4447437 356.8506936 359.1321623 351.348403 355.0315078 356.5805731 353.4968581 349.8212834 350.1460521 5039.426365 354.0501109 354.5816576 352.2349612 353.1122747 349.6675027 355.2693948 356.4775326 358.75993 354.2250833 356.0941535 352.788445 1655.28541 352.3073639 350.9841707 356.0804961 354.8986609 354.3471737 352.7143111 351.1335872 350.4220132 353.7083954 352.0458289 356.9050964 351.939 356.8710294 353.095649 354.5668851 354.1642751 354.7937514 353.6957202 353.20865 355.3075131 356.1924713 350.7558569 356.1306929 357.0824815 351.5391351 353.3993602 356.6743332 356.2620183 356.8155818 351.5984933 354.8780372 356.4207547 354.5469792 353.0869056 Eicosapentaenoic acid 245.9552846 305.700272 246.3633204 413.8567849 276.6276926 330.4954354 250.6013754 292.813299 246.3471373 331.8107485 271.5331865 306.2894255 369.27268 410.1012112 946.1154166 424.4934599 2352.905578 504.4659624 247.2286581 247.1726616 248.532475 396.4350796 372.9818412 460.3743723 248.0793637 352.7512961 423.0650678 477.6178837 248.7165263 1053.526956 249.762858 247.9980494 247.5146747 248.2927412 249.7012018 248.0121266 251.8643592 249.9324488 663.8726292 249.149485 247.9990142 247.5839529 250.0537151 635.1629379 411.5778441 271.7604787 491.9580417 347.8384208 540.7561515 249.0790902 247.3407305 245.8066551 338.4124768 1241.233759 1211.58445 563.1669022 369.6651291 Palmitic acid 291401.1574 193690.9843 234103.0758 298877.714 259174.6102 310182.9719 140174.3097 330425.7881 256416.6026 245956.0429 217487.4907 212976.2258 191391.3834 38253.9061 38289.61311 40101.34145 105039.9247 45825.89778 7986.244535 19315.16005 16618.95101 80789.5432 45810.42642 103424.0446 106881.8794 42357.31468 24209.26533 43389.90588 19874.77103 81365.75543 43332.13826 21185.31402 22517.81356 28559.76446 19361.09987 15935.79602 9270.412452 34880.82255 120317.4775 15388.27314 30396.80364 51131.82332 5774.561041 140567.2043 130732.5196 127580.812 117678.5536 129463.4309 117265.53 21290.42798 28541.21812 118260.8545 93179.73925 109508.1547 133597.0597 51379.43127 104641.8729 LPC 18:3 49283.11945 42651.05746 38699.99188 51232.99402 60289.15495 43121.66334 53870.82844 39726.44253 61756.43267 47717.17296 61751.57184 60004.88861 53901.71642 21083.29694 15304.27482 19186.07298 27266.68724 15559.64501 116026.4639 57223.94328 76226.73248 135369.7449 42921.17744 86132.57182 89484.16373 36211.64607 18171.94133 48612.5099 41752.89234 33762.00224 47056.34995 54143.27508 54589.17892 73863.64644 36743.32454 24686.1754 9180.255387 42127.66716 62842.66527 23653.33091 39434.76436 45521.7329 2403.845643 100902.9135 67708.40304 74876.26164 101503.7024 57631.67707 67254.20345 37365.20586 48399.22382 65461.79708 50199.25354 32776.68498 33064.18661 26296.6101 33741.02777 LPC 18:1 282.5871221 283.0356518 386.1170506 283.7392801 281.1047738 282.3106679 768.5125072 283.5039679 280.2153471 283.6516106 284.6697208 279.6119886 284.7820698 716.2858913 374.2645706 677.4291047 284.768529 397.5898964 307.2886454 2300.357538 2044.598734 281.4235273 283.1127565 281.5735547 281.730017 523.9011269 577.8262656 1356.528124 3030.383172 280.5367469 1329.606804 1340.884714 2302.333668 2802.690716 811.5260777 1102.56849 281.8530928 3341.002013 279.6720438 552.1199069 2857.015848 2794.058829 283.2091373 282.2966183 282.9290124 282.1681326 284.7260602 283.8654649 280.1476023 2103.024982 1839.933522 283.5369418 282.6733152 285.0217968 317.1795848 1466.466831 990.6007766 Eicosenoic acid 2315.088629 2085.189543 2119.304058 2735.546524 2345.668196 2537.548527 2456.57898 2498.313489 2170.631706 2266.099023 2667.256219 1724.460633 2236.674114 3572.286097 1976.938486 2590.259925 3543.529644 2827.437828 5861.274877 2526.489514 2868.74241 4991.96019 3592.393562 4047.276512 6468.867691 3350.685562 2210.290876 3034.489934 3559.2629 3631.283118 4205.941826 1723.857671 3804.277033 3589.252168 3466.009511 2413.593878 3189.549458 3290.148557 3162.650834 2375.382051 3806.640339 3725.967123 1938.000065 3262.480058 2682.779941 3967.570166 6281.564151 3633.334247 3606.083673 2006.180893 3053.378679 3197.396517 2740.499166 2358.063409 3471.314464 3871.457353 3919.584949 Hexadecanoyl-hydroxy-sn-glyceroethanolamine 228.1587179 226.2727723 227.2098914 225.8498332 275.3098456 226.6045738 224.9109589 226.0424758 225.0735839 226.9907907 9634.784377 225.8355429 229.8523597 227.3214964 225.7086378 225.7182474 228.5129291 228.5778733 226.1465013 226.8598842 225.9666844 226.7045177 752.9926352 228.6777689 225.1565391 225.0890174 227.2120143 227.8856157 225.5152309 228.8591095 224.46529 336.9117373 225.7700406 224.4964489 229.644862 226.1514422 227.726237 224.3481498 227.1861411 225.2605782 226.7271927 225.0653217 226.2343825 225.2695289 227.0575877 226.3996821 226.0621506 225.5558663 225.0626188 226.595395 225.0314638 225.4079708 225.7635605 225.0445566 227.5148595 228.4388059 226.3423738 Prostaglandin A1 694.8246817 692.9942863 2832.834835 695.4270615 694.3007229 691.0673015 4080.809429 694.72932 698.3465427 686.8054821 685.276351 688.6305936 695.4473188 13795.69407 12950.98367 15326.09004 690.2397805 11365.33583 3516.706688 22192.2339 23145.51545 689.4001885 694.8948693 690.5167866 689.9795628 2916.562607 13913.85857 9254.739399 11314.35514 694.0850666 6519.714775 19876.48082 14861.61947 14490.60851 9893.138661 15425.23482 11615.52967 16601.6729 698.8560853 17685.58238 19050.1212 10896.69403 7780.04108 694.712379 690.9441913 690.3036031 686.5660348 691.0886621 691.1091233 15335.39112 4882.232943 690.3936222 692.4503287 684.4481258 699.0217036 3836.754578 1095.715729 PE 34:2 (Phosphatidylethanolamine 16:0-18:2) 2506.586478 2117.093734 2070.554479 2116.612897 1864.226641 1621.497734 1021.244508 1937.522966 2583.067239 1553.430161 2553.142377 1553.472287 1156.626975 2415.323323 1995.563812 2752.89584 2340.947676 2193.064187 2389.818802 1184.2571 1056.011895 2337.586667 3347.477973 1977.938199 2830.936495 1051.117288 1649.746222 1433.857196 914.0582758 2094.823702 569.644144 2803.727757 1116.110672 931.2747683 1612.377482 3747.83875 2164.431082 879.9711271 2236.901933 3314.769491 520.2985481 2102.317122 2934.592879 2125.676764 1910.954451 1680.92775 1560.774905 2838.288263 2865.326421 1454.200481 1412.16388 2170.047096 1756.699353 2960.117706 2465.098473 1638.357921 1212.591781 PC 16:0 GPCho(10:0/6:0) 55360.18118 68694.02909 65139.8919 70845.19528 81629.64093 75132.37393 56841.74527 58355.11395 74561.42095 59673.19 64184.11064 79633.52635 74328.41877 26229.21776 36859.62684 24783.12532 33871.15303 29674.27648 11057.90553 34697.12001 25343.36198 47367.13737 26805.40322 61986.14418 36339.98242 47922.33168 32349.64035 34683.18038 35114.45735 43173.23357 48045.16326 28702.20582 33604.02247 36412.45956 15523.90444 21343.4853 5065.646945 46198.98429 44309.9057 16077.53576 40699.6186 41640.72507 4593.096269 58479.63887 49093.82516 62288.16733 27091.0233 50530.96208 39371.06026 26759.78508 22408.30944 52606.60127 60464.59485 56244.02476 54950.57097 44219.02425 60773.08167 Phosphatidylethanolamine 16:0-20:4 22166.58935 4014.951293 39034.99747 36017.12364 26571.76093 7883.666134 23836.85285 4850.24516 33315.34741 29111.37949 32736.16363 29484.13702 4536.219301 23147.54072 15782.66381 13633.939 23353.347 4970.626956 32073.1882 5702.004429 15256.27165 30126.33555 4960.929848 17394.43735 4912.874963 20695.8579 6387.957284 25096.53174 5627.440021 22832.58019 21658.8557 8662.193719 24989.28632 19361.60087 17747.43669 5154.830653 22563.02439 29382.82145 28045.89032 27911.37262 5650.595345 22495.09123 22719.46684 27268.75487 13493.69725 10158.18279 32822.74019 3928.793947 10381.52061 21225.91323 22328.13403 26481.84022 6520.993112 13116.85013 5297.509669 17520.66222 9412.721754 PE 36:2 17056.61845 64868.68075 56216.81061 65480.23788 27393.16317 26279.65316 22371.02322 42270.94969 70960.14754 61138.565 51288.64057 69372.28784 28234.10101 41394.92821 32778.67702 66420.68576 43978.75549 33836.8934 33463.3543 42677.57965 26127.68377 28988.83737 56156.05458 40180.09703 42729.44129 14185.55611 71205.7993 22321.32123 61458.36967 35811.85136 32857.36617 57461.50688 41131.01057 58641.11103 47563.32886 18958.12655 56371.00614 53808.21916 34301.86441 52606.38746 37926.60237 62475.94416 22812.75335 50684.71843 58685.61863 38043.27238 69484.98526 55238.59335 62280.09959 43103.91058 36404.65758 41345.72266 56718.2523 72221.85731 31136.56487 33725.44729 61795.65438 Phosphatidylethanolamine lyso 20:3 1999.669257 1861.850517 3104.394381 2099.097732 3347.817514 2132.2864 1818.453723 2137.119613 1206.824855 2700.702416 2496.975487 878.5895306 825.5992273 2149.676169 798.8638196 487.7099182 2151.752553 672.4102778 2839.011709 2739.031011 635.665963 1616.105031 1331.7836 1821.590603 1217.472342 1850.670603 2825.115614 1784.637034 2292.21442 2691.436978 1820.776089 2041.260699 1736.501388 1287.162016 471.6093859 496.6342743 1506.859588 2833.740664 778.7606218 2015.935103 2222.235247 807.1340836 1560.953917 1901.326128 1814.971525 794.2404708 727.4485997 873.0707309 1370.332682 907.1167208 1916.270011 1261.14283 1859.917215 1187.564368 2570.201485 615.7297031 1851.961332 Stearic acid 591.2929456 590.3217708 681.6419878 591.3769121 592.7253953 588.0756031 589.5949117 591.8028585 590.3987838 586.1340793 589.657922 593.7772138 587.1726204 750.6729558 588.5349244 587.5637102 584.3868216 586.8944541 589.8276481 660.1073174 995.0932852 590.8740952 584.0284075 584.4465698 582.9831262 587.743698 841.4533026 1465.73537 589.0253329 585.7127502 589.7293045 994.050454 1014.645766 674.8913301 2431.687743 2987.940907 5587.530253 780.5361524 588.4945285 2404.931394 721.8368805 901.3462397 3426.536603 590.4250066 585.3147012 588.8124734 587.5809331 587.0016272 590.0914258 584.3411756 583.2707702 588.9071616 589.4942138 585.9644625 583.9490232 591.497336 584.9781037 Phosphatidylethanolamine lyso alkenyl 16:0 308.2233451 309.595209 494.1371627 309.6708564 307.5539964 311.2184909 2804.287647 308.5200354 309.2755711 308.9939545 309.445381 309.8707494 307.6803536 1449.392346 907.2121122 1083.69881 310.3778736 794.9647658 643.2780434 2723.415097 1025.528216 312.5920978 311.0086767 309.1488929 310.7364822 655.2643643 2168.40157 2329.066716 1540.283835 309.4830851 1715.641174 2587.923805 2921.907921 2099.97345 1159.746492 1572.220717 2048.473862 1337.545544 311.8912393 3009.411729 1216.989386 1956.646358 918.9009672 313.7117683 308.2949239 308.607647 310.087059 308.8557251 311.4655769 2748.16268 542.161539 312.306967 310.2889946 309.6767868 310.6618295 430.5547265 335.6699061 Traumatic Acid 1530.50818 3166.390955 2713.836142 3188.278226 2760.156164 2600.199242 1533.561361 2909.048744 2400.64624 3482.885789 3425.468523 2450.633022 3135.383794 2411.370552 2050.284486 1552.262351 3179.562367 2534.353809 203.9238948 330.1626493 301.4137426 282.1084876 310.7254007 1466.522631 725.5468813 3109.856017 2031.577221 2396.58019 1910.021974 3250.375855 3100.117529 1134.598498 506.1518798 1015.627874 636.5237859 421.062926 204.4103116 808.624641 1389.149233 202.4893385 727.2563924 1112.958001 203.6253546 1430.759301 1875.097039 983.7275975 903.1427586 1245.37657 1128.233933 250.5681481 421.2648174 1851.857227 1761.642334 3205.58335 3071.448594 2858.242625 3724.051425 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 1-Hydroxy-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine Glycerophospho-N-Palmitoyl Ethanolamine 12-HETE (4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid 12-Hydroxyoctadecanoic acid 7Z, 10Z, 13Z, 16Z, 19Z-docosapentaenoic acid 12(R)-HEPE Leucinic acid 9,10-DiHOME 12,13-EODE Acetyl-DL-Leucine DL-Indole-3-lactic acid (3-Indolelactic acid) 15-HETE 13-Hydroxyoctadeca-9,11-dienoic acid (13-HODE) Tridecanedioic acid 13-HOTrE 16-HDoHE Cer[NS] d37:1 adrenic acid DG 31:1 Arachidonic acid 9-Oxooctadecanoic acid Phosphatidylcholine lyso 19:0 Phosphatidylcholine lyso 18:0 Dihomo-alpha-linolenic acid 9-KODE Gamma-Glu-Leu Glucose (isobar) Phosphatidylethanolamine lyso 22:6 Eicosapentaenoic acid Palmitic acid LPC 18:3 LPC 18:1 Eicosenoic acid Hexadecanoyl-hydroxy-sn-glyceroethanolamine Prostaglandin A1 PE 34:2 (Phosphatidylethanolamine 16:0-18:2) PC 16:0 GPCho(10:0/6:0) Phosphatidylethanolamine 16:0-20:4 PE 36:2 Phosphatidylethanolamine lyso 20:3 Stearic acid Phosphatidylethanolamine lyso alkenyl 16:0 Traumatic Acid METABOLITES_END #END