#METABOLOMICS WORKBENCH AF_20230406_070022 DATATRACK_ID:3848 STUDY_ID:ST002545 ANALYSIS_ID:AN004192 PROJECT_ID:PR001639 VERSION 1 CREATED_ON April 7, 2023, 9:04 am #PROJECT PR:PROJECT_TITLE Lipidomic profiles of Toxoplasma gondii-infected mice PR:PROJECT_SUMMARY Cachexia is a life-threatening disease characterized by chronic, inflammatory PR:PROJECT_SUMMARY muscle wasting and systemic metabolic impairment. Despite its high prevalence, PR:PROJECT_SUMMARY there are no efficacious therapies for cachexia. Mice chronically infected with PR:PROJECT_SUMMARY the protozoan parasite Toxoplasma gondii represent a novel animal model PR:PROJECT_SUMMARY recapitulating the chronic kinetics of cachexia. To understand how perturbations PR:PROJECT_SUMMARY to metabolic tissue homeostasis influence circulating metabolite availability we PR:PROJECT_SUMMARY used mass spectrometry analysis. Despite the significant reduction in PR:PROJECT_SUMMARY circulating triacylglycerides, nonesterified fatty acids, and glycerol, PR:PROJECT_SUMMARY sphingolipid long-chain bases and a subset of phosphatidylcholines (PCs) were PR:PROJECT_SUMMARY significantly increased in the sera of mice with T. gondii infection-induced PR:PROJECT_SUMMARY cachexia. In addition, the TCA cycle intermediates -ketoglutarate, 2- PR:PROJECT_SUMMARY hydroxyglutarate, succinate, fumarate, and malate were highly depleted in PR:PROJECT_SUMMARY cachectic mouse sera. Sphingolipids and their de novo synthesis precursors PCs PR:PROJECT_SUMMARY are the major components of the mitochondrial membrane and regulate PR:PROJECT_SUMMARY mitochondrial function consistent with a causal relationship in the energy PR:PROJECT_SUMMARY imbalance driving T. gondii-induced chronic cachexia. PR:INSTITUTE University of Virginia PR:LAST_NAME Feng PR:FIRST_NAME Tzu-Yu PR:ADDRESS 345 Crispell Dr. PR:EMAIL ttf4ye@virginia.edu PR:PHONE 7022174454 #STUDY ST:STUDY_TITLE Lipidomic profile of Toxoplasma gondii-infected mice (Positive mode MS) ST:STUDY_SUMMARY Cachexia is a life-threatening disease characterized by chronic, inflammatory ST:STUDY_SUMMARY muscle wasting and systemic metabolic impairment. Despite its high prevalence, ST:STUDY_SUMMARY there are no efficacious therapies for cachexia. Mice chronically infected with ST:STUDY_SUMMARY the protozoan parasite Toxoplasma gondii represent a novel animal model ST:STUDY_SUMMARY recapitulating the chronic kinetics of cachexia. To understand how perturbations ST:STUDY_SUMMARY to metabolic tissue homeostasis influence circulating metabolite availability we ST:STUDY_SUMMARY used mass spectrometry analysis. Despite the significant reduction in ST:STUDY_SUMMARY circulating triacylglycerides, nonesterified fatty acids, and glycerol, ST:STUDY_SUMMARY sphingolipid long-chain bases and a subset of phosphatidylcholines (PCs) were ST:STUDY_SUMMARY significantly increased in the sera of mice with T. gondii infection-induced ST:STUDY_SUMMARY cachexia. In addition, the TCA cycle intermediates -ketoglutarate, 2- ST:STUDY_SUMMARY hydroxyglutarate, succinate, fumarate, and malate were highly depleted in ST:STUDY_SUMMARY cachectic mouse sera. Sphingolipids and their de novo synthesis precursors PCs ST:STUDY_SUMMARY are the major components of the mitochondrial membrane and regulate ST:STUDY_SUMMARY mitochondrial function consistent with a causal relationship in the energy ST:STUDY_SUMMARY imbalance driving T. gondii-induced chronic cachexia. ST:INSTITUTE University of Virginia ST:LAST_NAME Feng ST:FIRST_NAME Tzu-Yu ST:ADDRESS 345 Crispell Dr. ST:EMAIL ttf4ye@virginia.edu ST:PHONE 702-217-4454 #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 - Toxoplasma infected-7 Factor:Infected RAW_FILE_NAME=Ewald001_posCSH_15 (Cage 6, Mouse 3)_015.d SUBJECT_SAMPLE_FACTORS - Uninfected-3 Factor:Uninfected RAW_FILE_NAME=Ewald002_posCSH_3 (Cage 1, Mouse 4)_003.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-1 Factor:Infected RAW_FILE_NAME=Ewald003_posCSH_9 (Cage 3, Mouse 1)_009.d SUBJECT_SAMPLE_FACTORS - Uninfected-2 Factor:Uninfected RAW_FILE_NAME=Ewald004_posCSH_2 (Cage 1, Mouse 2)_002.d SUBJECT_SAMPLE_FACTORS - Uninfected-5 Factor:Uninfected RAW_FILE_NAME=Ewald005_posCSH_5 (Cage 2, Mouse 2)_005.d SUBJECT_SAMPLE_FACTORS - Uninfected-7 Factor:Uninfected RAW_FILE_NAME=Ewald006_posCSH_7 (Cage 2, Mouse 4)_007.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-2 Factor:Infected RAW_FILE_NAME=Ewald007_posCSH_10 (Cage 3, Mouse 2)_010.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-4 Factor:Infected RAW_FILE_NAME=Ewald008_posCSH_12 (Cage 3, Mouse 4)_012.d SUBJECT_SAMPLE_FACTORS - Uninfected-8 Factor:Uninfected RAW_FILE_NAME=Ewald009_posCSH_8 (Cage 2, Mouse 5)_008.d SUBJECT_SAMPLE_FACTORS - Uninfected-1 Factor:Uninfected RAW_FILE_NAME=Ewald010_posCSH_1 (Cage 1, Mouse 1)_001.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-3 Factor:Infected RAW_FILE_NAME=Ewald011_posCSH_11 (Cage 3, Mouse 3)_011.d SUBJECT_SAMPLE_FACTORS - Uninfected-6 Factor:Uninfected RAW_FILE_NAME=Ewald012_posCSH_6 (Cage 2, Mouse 3)_006.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-6 Factor:Infected RAW_FILE_NAME=Ewald013_posCSH_14 (Cage 4, Mouse 5)_014.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-5 Factor:Infected RAW_FILE_NAME=Ewald014_posCSH_13 (Cage 3, Mouse 5)_013.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-8 Factor:Infected RAW_FILE_NAME=Ewald015_posCSH_16 (Cage 6, Mouse 5)_016.d SUBJECT_SAMPLE_FACTORS - Uninfected-4 Factor:Uninfected RAW_FILE_NAME=Ewald016_posCSH_4 (Cage 2, Mouse 1)_004.d #COLLECTION CO:COLLECTION_SUMMARY At 7 weeks post-infection, isoflurane-anesthetized mice were retro-orbitally CO:COLLECTION_SUMMARY bled and sera was flash frozen and sent to the National Institute of Health CO:COLLECTION_SUMMARY (NIH) West Coast Metabolomics Center (UC Davis) for untargeted mass spectrometry CO:COLLECTION_SUMMARY analysisusing the primary metabolism assay (ALEXCIS GCTOF-MS) or the complex CO:COLLECTION_SUMMARY lipids (CSH-QTOF MS) assay. Detected meatbolites were identified based on CO:COLLECTION_SUMMARY retention time and mass spectra from MassBank of North America, curated by the CO:COLLECTION_SUMMARY NIH West Coast Metabolomics Center , and reported as raw peak heights. The raw CO:COLLECTION_SUMMARY peak heights from each analytical platform were normalized to the average peak CO:COLLECTION_SUMMARY heights of the identified metabolites in uninfected group. The resulting data CO:COLLECTION_SUMMARY were analyzed for fold-change and multiple unpaired t-test and visualized using CO:COLLECTION_SUMMARY volcano plots to identify the differential expression of metabolites in response CO:COLLECTION_SUMMARY to T. gondii-induced cachexia CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY To generate cysts for infection, 8-10 week female CBA/J mice were infected with TR:TREATMENT_SUMMARY 10 Me49 bradyzoite cysts by intraperitoneal injection. 4–8 weeks following TR:TREATMENT_SUMMARY infection, mice were euthanized by CO2 inhalation and cysts were harvest from TR:TREATMENT_SUMMARY brains homogenate passed through a 70 μm filter. Homegenate was washed 3 times TR:TREATMENT_SUMMARY in PBS, stained with dolichos biflorus agglutinin conjugated to FITC (Vector TR:TREATMENT_SUMMARY labs) at a 1:500 dilution. The number of cysts were determined by counting TR:TREATMENT_SUMMARY FITCpositive cysts at 20x magnification using an EVOS FL imaging system (Thermo TR:TREATMENT_SUMMARY Fisher). For experimental infections 10–14-week-old male C57BL/6 mice were TR:TREATMENT_SUMMARY infected with 10 Me49 bradyzoite cysts by intraperitoneal infection resuspended TR:TREATMENT_SUMMARY in 200 Μl PBS per mouse using a 5G 5/8” tuberculin syringe. Prior to TR:TREATMENT_SUMMARY infection, mice were cross-housed on dirty, wood chip bedding for two weeks to TR:TREATMENT_SUMMARY normalize commensal microbiota and limit the effect of eating corn husk bedding TR:TREATMENT_SUMMARY on dietary metabolites. At experimental endpoints, mice were fasted for 4 hours TR:TREATMENT_SUMMARY and isoflurane anaesthetized to isolate sera via retro-orbital bleed and/or TR:TREATMENT_SUMMARY euthanized by CO2 asphyxiation to harvest tissues for weighing and histological TR:TREATMENT_SUMMARY analysis. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY At 7 weeks post-infection, isoflurane-anesthetized mice were retro-orbitally SP:SAMPLEPREP_SUMMARY bled and sera was flash frozen and sent to the National Institute of Health SP:SAMPLEPREP_SUMMARY (NIH) West Coast Metabolomics Center (UC Davis) for untargeted mass spectrometry SP:SAMPLEPREP_SUMMARY analysisusing the primary metabolism assay (ALEXCIS GCTOF-MS) or the complex SP:SAMPLEPREP_SUMMARY lipids (CSH-QTOF MS) assay. Detected meatbolites were identified based on SP:SAMPLEPREP_SUMMARY retention time and mass spectra from MassBank of North America, curated by the SP:SAMPLEPREP_SUMMARY NIH West Coast Metabolomics Center , and reported as raw peak heights (Table S1 SP:SAMPLEPREP_SUMMARY and S3). The raw peak heights from each analytical platform were normalized to SP:SAMPLEPREP_SUMMARY the average peak heights of the identified metabolites in uninfected group. The SP:SAMPLEPREP_SUMMARY resulting data were analyzed for fold-change and multiple unpaired t-test and SP:SAMPLEPREP_SUMMARY visualized using volcano plots to identify the differential expression of SP:SAMPLEPREP_SUMMARY metabolites in response to T. gondii-induced cachexia #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 60% water/40% acetonitrile; 5 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 90% isopropanol/10% methanol; 5 mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT 15%-99% CH:FLOW_RATE 0.6 ml/min CH:COLUMN_TEMPERATURE 65 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Samples extracted using Matyash extraction procedure which includes MTBE, MeOH, MS:MS_COMMENTS and H2O. The organic (upper) phase was dried down and submitted for resuspension MS:MS_COMMENTS and injection onto the LC while the aqueous (bottom) phase was dried down and MS:MS_COMMENTS submitted to derivatization for GC. They are resuspended with 110 uL of a MS:MS_COMMENTS solution of 9:1 methanol: toluene and 50 ng/mL CUDA. This is then shaken for 20 MS:MS_COMMENTS seconds, sonicated for 5 minutes at room temperature, and then centrifuged for 2 MS:MS_COMMENTS minutes at 16100 rcf. The samples are then aliquoted into three parts. 33 uL are MS:MS_COMMENTS aliquoted into a vial with a 50 uL glass insert for positive and negative mode MS:MS_COMMENTS lipidomics. The last part is aliquoted into an eppendorf tube to be used as a MS:MS_COMMENTS pool. The samples are then loaded up on an Agilent 1290 Infinity LC stack. The MS:MS_COMMENTS positive and negative mode were run on an Agilent 6530 with a scan range of m/z MS:MS_COMMENTS 120-1200 Da with an acquisition speed of 2 spectra/s. Between 0.5 and 2 uL were MS:MS_COMMENTS injected onto a Waters ACQUITY UPLC CSH C18 1.7um 2.1x100mm Column with VanGuard MS:MS_COMMENTS PreColumn 2.1x5 mm . The gradient used is 0 min 15% (B), 0–2 min 30% (B), MS:MS_COMMENTS 2–2.5 min 48% (B), 2.5–11 min 82% (B), 11–11.5 min 99% (B), 11.5–12 min MS:MS_COMMENTS 99% (B), 12–12.1 min 15% (B), 12.1–15 min 15% (B) with a flow rate of 0.6 MS:MS_COMMENTS mL/min. The mass resolution for the Agilent 6530 is 10,000 for ESI (+). MS:MS_RESULTS_FILE ST002545_AN004192_Results.txt UNITS:reads Has m/z:No Has RT:No RT units:No RT data #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Reads MS_METABOLITE_DATA_START Samples Uninfected-1 Uninfected-2 Uninfected-3 Uninfected-4 Uninfected-5 Uninfected-6 Uninfected-7 Uninfected-8 Toxoplasma infected-1 Toxoplasma infected-2 Toxoplasma infected-3 Toxoplasma infected-4 Toxoplasma infected-5 Toxoplasma infected-6 Toxoplasma infected-7 Toxoplasma infected-8 Factors Factor:Uninfected Factor:Uninfected Factor:Uninfected Factor:Uninfected Factor:Uninfected Factor:Uninfected Factor:Uninfected Factor:Uninfected Factor:Infected Factor:Infected Factor:Infected Factor:Infected Factor:Infected Factor:Infected Factor:Infected Factor:Infected 18:1 Cholesteryl ester; 45944 64606 57462 63555 65250 57078 72837 51954 86956 70369 91719 88317 72596 108695 127270 81111 18:2 Cholesteryl ester; 1103248 2006152 1840403 2129721 2106436 1826298 2138802 1942579 1059626 1766097 1677231 1807153 1553756 1878248 1821958 2011371 20:4 Cholesteryl ester; 544238 859805 728454 760858 663247 584831 934234 821949 518256 653562 810200 671480 524596 734468 870077 700464 22:6 Cholesteryl ester; 197201 457129 419810 458058 422982 361177 532177 490825 281258 425331 423590 406321 341380 495408 509584 531772 Cholesteryl ester(16:1) 11067 15322 14821 23994 19409 16257 18095 22359 10257 15540 14167 24285 16205 27457 28130 13111 Cholesteryl ester(18:3) 21004 35564 33179 29443 30201 31334 31518 26607 20513 29413 26610 30946 25392 29184 30860 29214 acylcarnitine (16:0) 102322 53471 61856 50714 72723 80694 53046 51382 41453 58610 44707 42783 46313 68925 55346 44850 acylcarnitine(14:1) 11518 4260 4126 5824 3704 7141 5103 3681 5430 3373 3405 3183 5038 4058 5251 3397 acylcarnitine(14:2) 12140 3928 4291 3733 5155 7263 3998 3552 4015 3655 4313 3437 2920 3702 6350 3419 acylcarnitine(18:0) 13039 9904 9597 8141 10894 11013 8809 8628 7607 9595 8510 8618 8002 9948 10359 11526 acylcarnitine(18:1) 87997 39841 45485 41466 56854 63003 47608 39134 32537 34571 34956 27391 31062 41052 44429 26920 acylcarnitine(18:2) 82902 29490 38897 36088 46075 57995 37031 28357 29018 27214 25425 20608 24290 28879 41917 20709 Cer(d40:1) 11276 24817 31681 19378 25127 26659 16570 19054 9126 18642 10169 11129 14930 13796 9023 17155 Cer(d41:1) 4538 6971 7576 6056 6885 5827 5272 6513 5857 5986 5215 6544 5819 5280 6719 6128 Cer(d42:1) 12477 26855 32993 21257 30362 30649 19444 20058 17271 27470 17356 22419 25196 23932 17293 24390 Cer(d42:2) A 22011 27528 29445 26802 34583 28842 29479 28500 17748 24250 18174 22460 24540 23524 26386 19461 Cer(d42:2) B 11261 12410 11716 10893 16478 11526 11259 16326 13347 12735 8033 12799 11525 8956 15564 7813 Cholesterol 71500 68170 68500 68388 67438 69798 65442 64335 69221 70125 68114 70188 70297 67487 66871 70604 DG(34:2) 2325 4855 5528 5723 6989 4410 4901 7754 3326 5371 3800 4469 6476 4666 4152 5270 DG(36:3) 5812 11407 20463 23144 27145 13072 18921 27856 7915 9905 7797 10257 22773 8549 10654 9096 DG(36:4) A 5444 12465 11236 11791 19771 13927 10725 15313 7418 10696 7112 9866 13228 9771 8441 10541 DG(38:6) 3193 4380 6076 4392 6142 4638 5347 6157 3651 3262 3345 3301 5448 3269 4652 4661 Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0) 1389 1260 1861 1157 1743 1434 1463 3265 4175 4469 4372 3708 4388 5080 4825 GlcCer(d40:1) 8799 15668 16979 14399 15360 9006 13792 13383 5176 8670 7732 7975 8012 6322 7949 8161 GlcCer(d42:1) 5411 7103 8246 6684 7820 6672 6777 6337 5391 6468 6715 6668 7397 6513 8306 7029 GlcCer(d42:2) 14553 13450 12448 14132 13974 11757 16833 15475 11725 11380 12420 15284 13279 12396 20756 12454 LPC (17:1) 12498 16641 18381 29620 21554 18099 26457 24990 7573 12386 9381 11396 12869 9964 16968 7927 LPC (20:0) 33001 78168 80297 78525 87715 79104 64595 67646 11226 49555 18053 22751 34079 29593 17691 42060 LPC (20:1) 33825 43423 41261 60943 52437 41916 52196 58140 15478 31295 21437 24342 27184 27802 31581 20205 LPC (20:2) 31941 33266 33234 49304 45052 38530 46668 47971 30839 32029 31205 35432 35597 39648 54484 27252 LPC (22:4) 12338 12594 10385 22437 16629 15064 17813 19561 9806 12945 13059 18908 15006 18521 22229 11270 LPC (22:6) 1186985 1527399 1361638 1954151 1607960 1770875 1851864 1936818 735324 1144420 943781 1088700 954396 1259025 1438174 1238322 LPC (o-16:0) 13001 18176 15989 18090 17907 15293 20770 16516 13536 14506 13942 11469 16144 16188 17495 13481 LPC (p-16:0) or LPC (o-16:1) 5697 9484 7262 5524 LPC (p-18:0) or LPC (o-18:1) 6762 10529 9332 10187 10237 7036 11837 9618 8861 8460 8940 6963 9484 8788 11395 7885 LPC(14:0) 17012 13924 14958 18080 16468 15899 18960 19285 10861 13941 13602 17249 14243 13427 15982 11156 LPC(15:0) 55315 63802 62097 63392 61973 57070 71597 61972 30915 39413 33879 32367 42732 29128 46039 39158 LPC(16:0) 7352981 8973751 9294215 9526046 9595817 9423499 9632433 9194489 7032595 8511020 8004002 8155301 8557979 8756594 8187516 8952773 LPC(16:1) 105315 135968 147420 224566 178735 154975 190372 226355 52050 101315 72771 109515 103913 120317 140186 77828 LPC(18:0) 2883339 4688070 4962053 4808398 5150354 4574650 5244569 5414047 4456902 5140851 5683331 5470407 4816055 5928598 4984450 6396182 LPC(18:1) 1374909 1719559 1805165 3043952 2397499 2169149 2823277 2817704 787306 1431664 1242890 1810960 1547658 2093404 2325688 1041743 LPC(18:2) 6306119 6987580 7074690 7903050 7674125 7915770 7770915 7448678 4302335 6578690 5386165 6404964 6066038 5930794 6495196 6173091 LPC(18:3) 40962 36904 37587 41749 39790 48711 38314 35008 15502 27656 20717 29650 27230 25324 31963 23684 LPC(20:3) 184010 271187 237703 463052 312991 318916 330886 404398 117399 204634 170877 245692 175703 270544 188646 175215 LPC(20:4) 2995076 2577488 2362548 2905367 2646231 2637920 3154856 3096428 1385469 1889208 1759004 1907800 1541477 1826472 2402343 1792148 LPC(20:5) 18405 25631 24374 34648 28344 26194 24316 35669 19073 23710 17780 38532 24971 28407 26958 21561 LPC(22:5) 22164 40628 43272 76798 58615 58446 49746 62180 32539 57453 42922 70896 50163 80789 56044 50647 LPE(18:0) 11706 13049 12514 13133 15226 13001 14951 14042 12854 14406 13815 15109 15662 18039 13455 16902 LPE(18:2) 41152 51759 38368 58421 61593 50827 46513 50614 21472 35685 25371 44831 48045 33660 37106 38299 LPE(20:4) 62660 100182 72739 109279 106704 98775 101796 108533 44960 62525 54591 74689 80898 60936 71551 58905 PC (37:3) 14703 20765 15949 31057 26062 16076 32470 32991 12858 17748 20377 24445 19834 17637 45257 14005 PC (39:6) 35967 60831 54391 55093 53444 45967 66675 56759 45274 49295 53647 47826 40822 37795 61550 63115 PC (42:5) 2105 5611 4378 2795 4517 4287 2512 4813 2136 3617 3151 3453 3391 3508 2463 1394 PC (42:6) 3213 2052 3703 4606 4589 2322 1920 5389 2484 3406 3772 4686 3393 5004 3945 4025 PC (p-32:0) or PC (o-32:1) 5506 7954 7062 6990 10045 7209 2793 6743 4028 6754 5729 5766 5219 5186 5788 7508 PC (p-36:3) or PC (o-36:4) 47657 81110 65847 79532 83337 54340 93503 74650 33427 55421 55800 47518 52382 52869 87079 42750 PC (p-38:2) or PC (o-38:3) 1710 3032 2699 2866 2971 2670 2839 3552 2142 2423 2781 2727 2365 2995 2856 2571 PC 40:9; 506276 684239 633608 678616 722135 680236 734485 711443 424897 576617 578926 572034 560627 582390 625207 653706 PC(30:0) 36056 35238 39286 34217 56893 30238 36019 36905 30321 59633 40905 58809 50376 54354 62707 44530 PC(31:0) 7865 9437 7926 9226 10868 7453 9883 9206 5152 8922 6416 6994 8918 6122 11556 6718 PC(32:0) 319679 393594 356584 420946 593880 377868 467337 415056 291732 570223 406939 456031 496184 514374 500708 439800 PC(32:1) 95810 163640 139639 205499 215130 144054 185098 219278 49896 122719 92351 175050 143400 150716 190983 101598 PC(32:2) 15449 23731 19706 27751 28513 22475 26307 30408 8052 15549 13415 26113 18956 14771 23859 12557 PC(33:0) 4605 3766 3734 4943 4278 3684 5869 4784 2947 3817 3141 3336 3550 3656 5374 2186 PC(33:1) 23113 48458 42391 64679 61552 41996 63014 61445 14444 27937 21095 39107 36672 30441 43466 20540 PC(33:2) 60963 114477 92751 95374 111473 87182 106619 94075 37145 66710 48384 59031 69723 43051 80216 66098 PC(34:0) 51538 75150 72035 79120 99658 72088 92280 83202 59184 91383 79414 88610 76368 111899 90693 96709 PC(34:1) 3422119 5535407 5365148 6520112 6266946 5860179 6073467 6195226 2932442 4824610 4314313 5950095 5735113 6245731 5155482 4448440 PC(34:2) 8984787 11283046 11073790 11357214 11628542 11293218 11351720 11043753 7910362 10459147 9608233 10881716 10659680 10326992 10299688 10913378 PC(34:3) A 141322 374301 322052 428143 512518 350898 479242 536555 66988 200130 127669 267965 211157 219166 341488 152586 PC(34:3) B 89866 285483 248966 323107 411793 2031 399705 448553 41339 134235 79976 175202 140816 183578 256158 92019 PC(34:3) C 82062 148918 125695 121419 145736 141121 129107 115464 32974 81497 58789 109884 84109 84075 102780 81432 PC(34:4) 4795 6330 5041 6799 7264 4560 7283 7313 3059 3967 3627 5834 4510 3419 6060 3011 PC(35:1) 19811 30516 26230 40509 34642 27355 39221 38395 15961 25625 23637 31483 26213 28188 27502 23124 PC(35:2) A 30293 41192 37947 57270 46751 30692 62667 73377 15854 28902 28234 30474 28808 20883 39395 26900 PC(35:2) B 136380 201651 171025 214002 222394 156682 238760 220666 103755 163874 175146 178944 158238 116256 188324 193582 PC(35:3) 70830 129110 108071 141500 151623 105432 162380 142503 37439 79480 63661 84941 87485 53470 121963 61294 PC(35:4) 10712 16824 11423 12598 15312 11276 17649 14447 5380 8630 7153 7836 7848 4619 12387 7073 PC(36:1) 322078 506393 465614 679787 637091 531730 647651 705457 276616 479383 525171 800807 569501 1036734 591157 528484 PC(36:2) 6454773 8025840 7492174 8122075 8571014 7637618 8445077 8435474 6009602 7843648 8090700 8665237 7874250 7810475 7846480 8496192 PC(36:3) A 2318051 2931501 2512442 3669113 3528432 2767973 3998927 4027849 1572038 2545419 2632991 3241556 2980835 2549287 4637477 2118907 PC(36:3) B 902369 1967040 1510659 2587840 2302151 1796942 2381972 2614812 523765 1169999 913532 1630970 1267042 1636781 822354 1106823 PC(36:4) A 434645 746994 609304 776582 997175 771317 1022895 815193 266437 595583 537938 676821 582982 356801 766785 557555 PC(36:4) B 122766 161321 143582 184587 198128 169706 193435 60088 77019 136369 123532 190628 152528 132691 189836 118499 PC(36:4) C 4609300 6741166 5415874 5858758 6395866 5591026 6947642 6675283 2997350 4540997 4196746 4912367 4603902 4335727 5891157 4588999 PC(36:5) C 33996 54162 13078 60928 60018 42685 73152 78531 11786 29275 22569 36376 27955 27906 55452 19251 PC(36:5) D 39990 117726 99674 143604 147701 106455 122682 167376 40602 85691 57754 160430 98658 102666 118425 80388 PC(36:5)A 24283 57133 46437 47448 65629 60939 58958 51696 20037 38888 32906 47788 39399 33670 55640 44277 PC(37:2) 78215 79201 71816 104892 100036 61780 99524 81107 24766 54091 42616 46970 41746 27421 51602 44154 PC(37:4) 50311 78906 54595 64249 68352 50363 88749 81451 35055 43941 45688 50982 40567 36095 73855 45253 PC(37:6) 7632 12440 8800 10665 10796 9713 14180 11549 6350 7274 5805 7627 6607 5251 10425 6785 PC(38:1) 11229 19015 16314 16938 20445 15351 18531 18385 7924 13673 9001 12067 11298 17043 9880 12254 PC(38:2) 47090 101731 93802 102920 120395 96981 87509 94504 34119 59428 44049 59668 54652 60732 54579 58690 PC(38:3) 235885 552455 409146 655194 566570 465314 610051 794683 325948 435806 538742 742179 433756 798497 399047 583675 PC(38:4) A 44897 56196 139736 304224 263526 167231 295141 365715 21436 131302 129844 240116 172290 219510 306923 33916 PC(38:4) B 19731 40547 32974 62816 99339 71911 105830 108537 32494 82090 102111 74245 59171 64715 140434 49853 PC(38:4) C 2812488 4294722 3339623 3156227 3777706 3278062 4252955 4272864 3402861 3311426 4261424 4015559 3143456 3832933 4699926 4159222 PC(38:5) A 1145667 1507320 1188719 1653823 1614156 1214914 1915464 2000748 833895 1243796 1258560 1644184 1292881 1459253 2512575 996668 PC(38:5) B 100387 170354 71525 156740 218831 93751 113982 251263 96711 62026 151845 276725 178344 134900 275312 147052 PC(38:6) A 184182 345820 284679 316510 421924 320720 479316 415432 118598 209290 202236 209173 172177 157544 352153 170489 PC(38:6) B 5784992 8233263 7396866 7949332 8175728 7696331 8659899 8440484 5219254 6969940 6769322 7022510 6707755 7037990 7988214 7477437 PC(38:7) 23573 52861 45235 72363 60456 44457 75448 84735 14184 32167 26180 42586 34275 38384 62659 26336 PC(39:4) 20635 24349 20509 22024 23569 15131 26331 23639 9069 14164 10875 11675 10890 8967 15471 12882 PC(40:4) 9111 14920 12818 17810 10037 12704 9471 18837 19839 18525 24735 29023 20625 26506 25103 20263 PC(40:5) A 126657 269616 216863 285580 296830 227463 283157 333892 187100 274966 283257 405648 263513 435472 315734 306337 PC(40:5) B 30427 23751 18575 30952 28592 20016 27169 30216 29943 25251 33467 51671 27756 44746 55300 25346 PC(40:6) A 47862 62627 20767 19940 72190 50927 75338 72831 46879 54352 58952 38927 56609 40153 136277 40463 PC(40:6)B 450497 1278537 1002283 1116520 1182984 1013038 1307340 1402601 1179533 1287670 1760829 1638592 1241153 1877212 1542140 2162215 PC(40:7) A 9575 17905 14099 17804 24909 14104 23211 28777 5981 9607 12346 15480 8934 11373 19358 6462 PC(40:7) B 1039370 1682473 1284402 1872796 1783470 1358594 2226399 2249546 972397 1280303 1514126 1651316 1457074 1506383 2634300 1247435 PC(40:8) 53572 92228 76468 88057 100986 89563 127363 102934 44033 63525 63196 56581 50718 50425 95577 59252 PC(42:10) 14590 28336 26395 33733 32418 28575 42232 38461 11610 19900 21490 19563 14510 16248 29356 18204 PC(o-32:0) 11275 18404 15026 16295 21319 12781 18953 16770 10535 17099 13654 13918 15936 17187 16567 12449 PC(p-32:1)/PC(o-32:2) 6812 7697 6967 7196 8266 7774 7234 6579 5121 6547 6578 7278 6912 5611 6196 7056 PC(p-34:1)/PC(o-34:2) 35293 64243 56139 62924 69108 51232 67957 54169 29503 48504 48115 45109 45777 46919 52265 45060 PC(p-34:2)/PC(o-34:3) 13840 21289 18775 28968 27467 20564 26327 24377 7230 11356 14665 15523 12611 10811 16613 11799 PC(p-36:1)/PC(o-36:2) A 6905 11531 12728 7639 10156 8521 9570 9327 9167 8038 6920 7733 10905 7199 9622 7270 PC(p-36:4)/PC(o-36:5) 38730 71931 55256 78501 78103 53363 91793 78315 19659 32434 38338 38575 33471 33653 47557 34288 PC(p-38:3)/PC(o-38:4) A 4918 14759 12131 4373 14978 4835 15539 12697 8079 4378 4163 5817 10906 4839 14722 3857 PC(p-38:3)/PC(o-38:4) B 11536 15855 14587 13870 14923 11810 16699 15570 9286 13120 12222 11614 11732 12376 16504 10775 PC(p-38:4)/PC(o-38:5) A 56217 109907 84626 107656 109944 73587 135380 115128 60384 82951 95068 79118 87035 72966 130751 71356 PC(p-38:5)/PC(o-38:6) A 38485 63654 52363 57886 63747 46195 72740 57380 20307 37900 35982 30733 35957 31275 54356 32659 PC(p-38:5)/PC(o-38:6) B 9939 16455 17130 10323 9429 14779 20531 15758 5803 11346 9150 9391 8995 9966 10626 8607 PC(p-38:6)/PC(o-38:7) 30550 41033 39295 39220 43429 37776 45705 37337 16495 23436 22141 20373 20040 21559 31690 26143 PC(p-40:3)/PC(o-40:4) 5232 5968 5582 5688 4789 4514 7133 6657 3071 4990 4571 4622 4085 5191 5438 4982 PC(p-40:4)/PC(o-40:5) 8925 9018 7890 11798 10917 7145 10957 9911 4093 6973 6314 6599 5586 5279 7609 5901 PC(p-40:5)/PC(o-40:6) 10491 16074 15212 14605 16708 12559 18146 15403 5999 11968 10322 9435 8553 12835 13845 11338 PC(p-40:6)/PC(o-40:7) A 17543 34883 27492 34847 33074 22842 45360 36725 11784 18794 18851 17106 20097 18118 33545 15214 PC(p-40:6)/PC(o-40:7) B 17839 24028 23607 22269 19334 20817 23688 20333 11310 15931 13690 12543 10342 13339 15714 18922 PC(p-42:4)/PC(o-42:5) 2261 2751 2794 2834 2573 2702 3114 3096 1275 2832 2625 2554 2468 2627 2941 2074 PC(p-42:5)/PC(o-42:6) A 1815 2436 2007 2299 2491 2634 2850 2295 1670 1603 1999 1062 2155 2301 2360 1385 PC(p-42:5)/PC(o-42:6) B 3494 4280 3946 3505 3213 3437 3965 3917 2119 3201 3138 2667 2677 3850 3208 3446 PE(36:2) 7367 4440 7140 13422 3011 2609 7556 4264 2666 4155 10332 12145 2162 6608 5602 PE(38:4) 9555 14299 5167 11752 30077 11161 8365 15805 8082 26691 13976 15698 22320 17484 13591 15294 PE(38:6) 8064 10340 8136 9476 22035 7708 12000 13085 4257 9351 6701 9670 13589 10494 12506 9219 PE(p-36:2)/PE(o-36:3) 4946 6316 5381 7089 6342 5631 6473 6211 3483 4868 3785 4406 4741 3865 4082 4101 PE(p-36:4)/PE(o-36:5) 6019 10836 8548 11444 17107 7584 11533 10628 5302 21134 11832 11054 13340 12057 7506 10576 PE(p-38:5)/PE(o-38:6) 4139 6500 4596 5758 8843 4365 5412 5264 3734 13115 6889 6888 8346 7690 4520 6085 SM (d37:1) 3941 3896 3740 3218 4688 2136 4415 3644 2086 4204 3431 3270 2763 3223 3526 3896 SM (d39:2) 1248 2364 2676 2538 3165 2214 2926 2357 1571 2204 1809 1676 1732 1828 1379 1784 SM(d32:1) 3449 3641 3782 3968 4221 3318 4039 4415 3123 3948 4337 5713 3840 5204 6141 3783 SM(d33:1) 12332 12388 12583 14613 14927 10797 16858 14339 9371 13176 12163 13448 9722 11656 19425 13529 SM(d34:0) 14932 18146 19407 15717 24932 15590 17913 15744 17374 31369 23636 27927 25918 29016 26980 28892 SM(d34:1) 604925 718793 648161 644374 748087 584466 737086 678269 834751 915388 938579 1100654 872323 1134979 1135048 1104632 SM(d34:2) 27045 50665 45402 50595 57828 47525 60198 51853 28897 45583 40545 44300 38900 47490 41620 45707 SM(d36:0) 1850 2827 2172 2033 3273 1526 2365 1605 2465 2969 2889 2425 1079 3432 2490 2409 SM(d36:1) 23410 35418 27812 28238 38613 28671 32003 28931 36935 34367 48565 42539 30795 52123 47662 54504 SM(d36:2) 35432 53689 42431 48150 59221 51568 55717 51121 34253 43316 53669 53695 38734 69552 52844 60897 SM(d38:1) 7883 15136 13401 11737 15493 13222 14366 12488 7361 17613 12197 13019 12315 21856 7999 21077 SM(d38:2) 10467 20954 19415 22508 26304 22280 21921 22340 12071 22343 18072 16165 15366 20121 14102 22387 SM(d39:1) 4085 9491 10458 8499 9415 8974 8199 7449 3125 6762 4026 4102 4179 4729 3668 6673 SM(d40:0) 1406 2557 2243 1964 2627 2213 1811 2320 1967 3340 2017 2485 2646 3237 2074 2966 SM(d40:1) 47803 213808 208457 142709 223515 192568 131880 131660 56935 172246 91696 115408 113764 202724 52472 210672 SM(d40:2) A 22225 43023 42339 33961 51163 38509 48318 57653 9657 33445 9172 22307 26196 41375 12232 12987 SM(d40:2) B 11562 58330 57385 48687 64271 54520 51421 49648 12068 38883 22892 27262 26632 38562 15620 39413 SM(d41:1) 12803 23010 26365 21587 25537 21620 22821 19738 24360 22406 27154 28973 18366 30745 24314 31128 SM(d41:2) A 11355 16064 15471 18326 20623 15756 18901 18163 8216 11823 9575 11496 10589 11774 11482 11953 SM(d41:2)B 3929 5347 7464 3855 5225 6709 5690 5195 5296 3692 6350 2256 2023 3069 6945 7467 SM(d42:1) 25144 81874 85683 60633 95195 85356 60432 55569 56995 85677 66387 86007 75826 118851 49718 109271 SM(d42:2) 196488 351326 312326 293603 404163 318969 327292 310985 304464 312524 348931 394414 328968 550779 331435 417365 SM(d42:3) 3024 3001 3470 6519 3657 4165 8186 6818 2569 2148 2535 10003 3124 4733 3149 TG 52:2; TG(16:0/18:1/18:1); 547931 1351202 1536115 1114064 1683311 1781593 1648708 2196823 1344079 1369716 1345367 1630032 1419477 1457456 1311833 1102377 TG 52:3; TG(16:0/18:1/18:2); 1515095 3493980 3743529 4717280 5413893 4908724 3900178 6299578 2901578 3885265 2722028 3798327 5291219 3430700 3148110 2851287 TG 53:5; TG(17:1/18:2/18:2); 11134 27189 28032 41051 48374 39026 37852 56867 14701 27018 15638 23782 32879 15542 30102 15740 TG 54:3; TG(18:0/18:1/18:2); 309048 656761 671513 704961 821873 755390 1119421 853542 474054 749231 618462 763093 674422 538255 923452 469124 TG 54:4; TG(18:1/18:1/18:2); 619752 1436533 1339810 2121068 2436521 1819425 2318745 3420281 1040241 1418249 1210311 1524562 2149240 1022654 1973239 975265 TG 54:5; TG(18:0/18:2/18:3); 745247 1829924 1473230 1820176 2688367 2246310 2146174 2847629 1239306 1812318 1283552 1772522 2178285 1271476 2077060 1576077 TG 54:7; TG(18:2/18:2/18:3); 43805 152943 107980 100561 226610 201084 100372 160407 85438 159111 73728 181416 164342 114695 138514 151769 TG 56:4; TG(18:1/18:2/20:1); 91361 168707 178619 328438 281188 166524 279760 392509 60373 230039 94038 134930 185039 113289 243926 95854 TG 56:5; TG(18:2/18:2/20:1); 69854 156021 146977 252109 265860 161097 227038 324370 68558 192464 86990 129421 177371 98128 232992 86011 TG 58:10; TG(18:2/20:4/20:4); 121967 145166 164979 103878 190812 190072 175483 186784 147001 103101 84836 96503 123147 73938 162014 124820 TG 58:11; TG(18:2/20:4/20:5); 39080 51145 63584 28180 50155 60978 41835 37357 43595 32613 24277 37366 34400 30108 42936 45773 TG 58:7; TG(18:1/18:2/22:4); 41370 47711 54913 85417 86188 56975 87934 125915 50048 49727 51585 62964 87696 41933 97328 33544 TG 60:12; TG(18:2/20:4/22:6); 73288 68299 83716 39834 64392 64935 72571 51749 78819 40657 33657 39552 42241 25624 62769 63490 TG(48:1) 36907 51418 61705 111912 92153 80702 59047 175311 36548 71922 43445 82622 92410 63934 49800 35462 TG(48:2) 19753 34797 44621 89396 78177 66615 44259 169981 21183 49435 26361 67816 71912 41245 33988 18810 TG(48:3) 6320 11594 13717 24670 26165 23757 14911 50929 6637 12655 7643 22798 19971 11629 9952 5638 TG(48:4) A 2034 1082 3074 2940 4195 4018 2686 5003 1570 1360 1695 2787 2925 2451 2415 1688 TG(49:1) 8846 11482 12666 22271 14454 11971 12830 25243 7310 12665 8596 9762 16079 8470 11843 6992 TG(50:1) 118712 170877 226449 129152 181606 189410 166984 182844 166622 198234 132701 107647 186613 192951 198203 TG(50:2) 338135 606683 731102 1341886 1225883 996119 775997 1974329 434730 918056 516094 971468 1237371 727727 645247 534160 TG(50:3) A 179072 389445 486893 800271 862559 770804 512801 1465386 230048 477900 261618 552419 662014 405861 345682 217746 TG(50:5) 2054 4517 3029 1255 4468 4832 1569 4137 2352 2001 2121 5188 3996 3669 3223 2804 TG(51:1) 7454 8452 10122 15896 9625 8104 8940 17352 6157 10552 6126 8347 13496 5802 10384 6877 TG(51:2) 18624 32142 37491 82373 56434 39645 49045 104269 20420 40429 23334 34550 58706 21931 35157 17787 TG(51:3) 22907 45880 53910 90255 74452 62563 60376 130909 27831 50150 28269 42389 73468 28169 47282 24497 TG(51:4) 15004 38936 42647 56159 60343 51370 43138 81900 19942 43385 20431 28312 54039 20909 34568 25446 TG(52:1) 28624 57593 65448 96062 67684 54053 56510 110369 36873 78793 43238 58200 100764 53186 56916 49696 TG(52:3) 22624 39611 44135 47051 51178 51338 41552 57177 37296 44425 32763 42548 53775 41687 35192 35321 TG(52:4) 1186315 3036917 3134014 3197570 4489924 4533000 2853018 4503970 2365408 3139363 1970334 2735067 3692037 2553093 2481243 2563303 TG(53:3) 19641 35051 38127 77483 59266 42028 55229 98977 23787 43023 27532 35776 60814 20000 43118 22797 TG(53:4) 22792 51198 53114 91900 88412 64241 72626 129337 31398 55260 34204 48882 73172 27557 61585 32959 TG(54:1) 12852 21510 26227 33544 22546 18495 21156 31492 10233 27793 10158 15412 28529 15371 22351 16400 TG(54:2) 51469 101046 109847 199053 140953 98291 117602 238753 53906 127048 69230 95766 157930 74159 105358 70917 TG(54:5) B 133863 192147 209894 269189 284421 226756 224916 359466 221976 215461 190247 273452 350117 199623 234887 189379 TG(54:6) B 206611 280668 328142 308818 410099 393066 294911 462950 283218 299308 204581 302136 381067 239990 317421 275152 TG(54:7) A 40952 104124 135760 105624 156765 161213 85423 173587 69183 88280 54164 99168 119445 97937 71183 81195 TG(54:8) 12220 20462 28262 25015 32238 32365 17186 37781 11582 15302 9215 19691 20722 18737 18940 11436 TG(56:1) 4060 8941 5160 5822 4602 3373 5753 5051 3142 6295 3378 3522 4170 3439 5021 3856 TG(56:2) 16088 23636 30126 40857 30204 19690 27197 35773 6977 33454 7877 17149 23779 12879 28811 16264 TG(56:3) 41416 63356 71703 141126 93454 59519 89573 151111 17499 85433 25303 42872 65095 36515 77673 37061 TG(56:4) 2194 2316 2447 2555 1890 2116 6983 885 2490 1299 1291 1197 3828 1386 TG(56:5) A 22421 39792 42893 101174 86454 47408 74533 66851 13604 56653 35511 39606 59470 51381 77677 19202 TG(56:5) B 24000 50495 55999 59099 67654 62405 60750 93906 58313 56978 52085 62410 86510 56500 57027 59278 TG(56:6) 167708 226671 247451 357404 357505 264538 332004 481574 276072 266462 264634 379867 460738 282660 372566 223934 TG(56:7) A 248012 307512 363639 354273 476557 403102 406364 536423 345790 329264 266210 352307 438411 293759 451172 299136 TG(56:7) B 186318 315153 376048 435024 460213 423595 394598 634277 385094 284091 244775 327205 457017 247747 311115 286032 TG(56:9) 35713 55671 69538 66273 81639 85397 70095 116339 36490 34055 23551 43116 51051 31222 47167 15072 TG(58:1) 2641 8864 2303 2796 3175 2163 4242 1922 4230 3651 2861 2343 2508 2014 TG(58:10) 5175 3998 4060 5352 3448 6720 TG(58:2) 17868 28397 25590 30497 24809 16912 24444 23978 11833 33117 10679 16809 19152 13159 29917 18322 TG(58:3) 13233 19125 21396 27132 23179 13868 20783 21348 5879 29211 6201 15561 16838 9816 26450 14960 TG(58:6) 9264 10216 14894 20047 17880 13944 17678 26974 11157 11712 10695 13824 17735 9905 20582 7907 TG(58:8) 114408 142131 165994 219038 232280 166437 290111 380651 174068 111253 131778 143383 206285 96925 212685 103555 TG(59:3) 8638 9194 10310 13473 10214 8096 11398 10457 6236 17124 5149 10117 10049 6889 13772 8247 TG(60:2) 6431 965 1474 644 2783 2298 TG(60:3) 10681 11742 14482 19655 14764 9660 15126 15190 5709 23315 4392 10835 11594 6691 19663 10465 TG(60:4) 5257 9437 9051 10519 11774 7076 8760 9166 3278 13158 3568 7306 9083 4343 10824 7219 TG(62:3) 5871 5803 6348 7789 5455 4080 7576 5072 3178 10804 2120 4407 4787 3912 8962 4596 TG(62:4) 3860 3325 4328 5529 3684 3117 5252 3445 2430 6381 2239 2808 2900 2681 6435 2722 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 18:1 Cholesteryl ester; 18:2 Cholesteryl ester; 20:4 Cholesteryl ester; 22:6 Cholesteryl ester; Cholesteryl ester(16:1) Cholesteryl ester(18:3) acylcarnitine (16:0) acylcarnitine(14:1) acylcarnitine(14:2) acylcarnitine(18:0) acylcarnitine(18:1) acylcarnitine(18:2) Cer(d40:1) Cer(d41:1) Cer(d42:1) Cer(d42:2) A Cer(d42:2) B Cholesterol DG(34:2) DG(36:3) DG(36:4) A DG(38:6) Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0) GlcCer(d40:1) GlcCer(d42:1) GlcCer(d42:2) LPC (17:1) LPC (20:0) LPC (20:1) LPC (20:2) LPC (22:4) LPC (22:6) LPC (o-16:0) LPC (p-16:0) or LPC (o-16:1) LPC (p-18:0) or LPC (o-18:1) LPC(14:0) LPC(15:0) LPC(16:0) LPC(16:1) LPC(18:0) LPC(18:1) LPC(18:2) LPC(18:3) LPC(20:3) LPC(20:4) LPC(20:5) LPC(22:5) LPE(18:0) LPE(18:2) LPE(20:4) PC (37:3) PC (39:6) PC (42:5) PC (42:6) PC (p-32:0) or PC (o-32:1) PC (p-36:3) or PC (o-36:4) PC (p-38:2) or PC (o-38:3) PC 40:9; PC(30:0) PC(31:0) PC(32:0) PC(32:1) PC(32:2) PC(33:0) PC(33:1) PC(33:2) PC(34:0) PC(34:1) PC(34:2) PC(34:3) A PC(34:3) B PC(34:3) C PC(34:4) PC(35:1) PC(35:2) A PC(35:2) B PC(35:3) PC(35:4) PC(36:1) PC(36:2) PC(36:3) A PC(36:3) B PC(36:4) A PC(36:4) B PC(36:4) C PC(36:5) C PC(36:5) D PC(36:5)A PC(37:2) PC(37:4) PC(37:6) PC(38:1) PC(38:2) PC(38:3) PC(38:4) A PC(38:4) B PC(38:4) C PC(38:5) A PC(38:5) B PC(38:6) A PC(38:6) B PC(38:7) PC(39:4) PC(40:4) PC(40:5) A PC(40:5) B PC(40:6) A PC(40:6)B PC(40:7) A PC(40:7) B PC(40:8) PC(42:10) PC(o-32:0) PC(p-32:1)/PC(o-32:2) PC(p-34:1)/PC(o-34:2) PC(p-34:2)/PC(o-34:3) PC(p-36:1)/PC(o-36:2) A PC(p-36:4)/PC(o-36:5) PC(p-38:3)/PC(o-38:4) A PC(p-38:3)/PC(o-38:4) B PC(p-38:4)/PC(o-38:5) A PC(p-38:5)/PC(o-38:6) A PC(p-38:5)/PC(o-38:6) B PC(p-38:6)/PC(o-38:7) PC(p-40:3)/PC(o-40:4) PC(p-40:4)/PC(o-40:5) PC(p-40:5)/PC(o-40:6) PC(p-40:6)/PC(o-40:7) A PC(p-40:6)/PC(o-40:7) B PC(p-42:4)/PC(o-42:5) PC(p-42:5)/PC(o-42:6) A PC(p-42:5)/PC(o-42:6) B PE(36:2) PE(38:4) PE(38:6) PE(p-36:2)/PE(o-36:3) PE(p-36:4)/PE(o-36:5) PE(p-38:5)/PE(o-38:6) SM (d37:1) SM (d39:2) SM(d32:1) SM(d33:1) SM(d34:0) SM(d34:1) SM(d34:2) SM(d36:0) SM(d36:1) SM(d36:2) SM(d38:1) SM(d38:2) SM(d39:1) SM(d40:0) SM(d40:1) SM(d40:2) A SM(d40:2) B SM(d41:1) SM(d41:2) A SM(d41:2)B SM(d42:1) SM(d42:2) SM(d42:3) TG 52:2; TG(16:0/18:1/18:1); TG 52:3; TG(16:0/18:1/18:2); TG 53:5; TG(17:1/18:2/18:2); TG 54:3; TG(18:0/18:1/18:2); TG 54:4; TG(18:1/18:1/18:2); TG 54:5; TG(18:0/18:2/18:3); TG 54:7; TG(18:2/18:2/18:3); TG 56:4; TG(18:1/18:2/20:1); TG 56:5; TG(18:2/18:2/20:1); TG 58:10; TG(18:2/20:4/20:4); TG 58:11; TG(18:2/20:4/20:5); TG 58:7; TG(18:1/18:2/22:4); TG 60:12; TG(18:2/20:4/22:6); TG(48:1) TG(48:2) TG(48:3) TG(48:4) A TG(49:1) TG(50:1) TG(50:2) TG(50:3) A TG(50:5) TG(51:1) TG(51:2) TG(51:3) TG(51:4) TG(52:1) TG(52:3) TG(52:4) TG(53:3) TG(53:4) TG(54:1) TG(54:2) TG(54:5) B TG(54:6) B TG(54:7) A TG(54:8) TG(56:1) TG(56:2) TG(56:3) TG(56:4) TG(56:5) A TG(56:5) B TG(56:6) TG(56:7) A TG(56:7) B TG(56:9) TG(58:1) TG(58:10) TG(58:2) TG(58:3) TG(58:6) TG(58:8) TG(59:3) TG(60:2) TG(60:3) TG(60:4) TG(62:3) TG(62:4) METABOLITES_END #END