#METABOLOMICS WORKBENCH sven_haange_20200603_013800_mwtab.txt DATATRACK_ID:2040 STUDY_ID:ST001396 ANALYSIS_ID:AN002335 PROJECT_ID:000000 VERSION 1 CREATED_ON June 8, 2020, 5:39 pm #PROJECT PR:PROJECT_TITLE Enteric microbiota and liver metabolomics during the postnatal period PR:PROJECT_SUMMARY Following birth, the neonatal intestine is exposed to maternal and environmental PR:PROJECT_SUMMARY bacteria that successively form a dense and highly dynamic intestinal PR:PROJECT_SUMMARY microbiota. Whereas the effect of exogenous factors has been extensively PR:PROJECT_SUMMARY investigated, endogenous, host-mediated mechanisms have remained largely PR:PROJECT_SUMMARY unexplored. Concomitantly with microbial colonization, the liver undergoes PR:PROJECT_SUMMARY functional transition from a hematopoietic organ to a central organ of metabolic PR:PROJECT_SUMMARY regulation and immune surveillance. The aim of the present study was to analyze PR:PROJECT_SUMMARY the influence of the developing hepatic function and liver metabolism on the PR:PROJECT_SUMMARY early intestinal microbiota. Using metabolomic and microbial profiling in PR:PROJECT_SUMMARY combination with multivariate analysis we characterized the colonization PR:PROJECT_SUMMARY dynamics and liver metabolism in the murine gastrointestinal tract (n=6-10 per PR:PROJECT_SUMMARY age group). We observed major age-dependent microbial and metabolic changes and PR:PROJECT_SUMMARY identified bile acids as potent drivers of the early intestinal microbiota PR:PROJECT_SUMMARY maturation. Consistently, oral administration of tauro-cholic acid or PR:PROJECT_SUMMARY β-tauro-murocholic acid to newborn mice (n= 7-14 per group) accelerated PR:PROJECT_SUMMARY postnatal microbiota maturation. PR:INSTITUTE Helmholtz Centre for Environmental Research - UFZ PR:LAST_NAME Haange PR:FIRST_NAME Sven PR:ADDRESS Permoserstrasse 1, Leipzig, Saxony, 04318, Germany PR:EMAIL sven.haange@ufz.de PR:PHONE 0049 341 2351099 #STUDY ST:STUDY_TITLE Quantitative Lipids study on total murine liver tissue from mice at different ST:STUDY_TITLE age ST:STUDY_TYPE Liver tissue/Primary tissue ST:STUDY_SUMMARY Following birth, the neonatal intestine is exposed to maternal and environmental ST:STUDY_SUMMARY bacteria that successively form a dense and highly dynamic intestinal ST:STUDY_SUMMARY microbiota. Whereas the effect of exogenous factors has been extensively ST:STUDY_SUMMARY investigated, endogenous, host-mediated mechanisms have remained largely ST:STUDY_SUMMARY unexplored. Concomitantly with microbial colonization, the liver undergoes ST:STUDY_SUMMARY functional transition from a hematopoietic organ to a central organ of metabolic ST:STUDY_SUMMARY regulation and immune surveillance. The aim of the present study was to analyze ST:STUDY_SUMMARY the influence of the developing hepatic function and liver metabolism on the ST:STUDY_SUMMARY early intestinal microbiota. Using metabolomic and microbial profiling in ST:STUDY_SUMMARY combination with multivariate analysis we characterized the colonization ST:STUDY_SUMMARY dynamics and liver metabolism in the murine gastrointestinal tract (n=6-10 per ST:STUDY_SUMMARY age group). We observed major age-dependent microbial and metabolic changes and ST:STUDY_SUMMARY identified bile acids as potent drivers of the early intestinal microbiota ST:STUDY_SUMMARY maturation. Consistently, oral administration of tauro-cholic acid or ST:STUDY_SUMMARY β-tauro-murocholic acid to newborn mice (n= 7-14 per group) accelerated ST:STUDY_SUMMARY postnatal microbiota maturation. Lipids in total liver tissue from healthy ST:STUDY_SUMMARY C57BL/6 mice at 1, 7, 14, 21, 28 and 56 day after birth was analyzed. ST:INSTITUTE Helmholtz Centre for Environmental Research - UFZ ST:DEPARTMENT Department of Molecular Systems biology ST:LABORATORY Functional Metabolomics ST:LAST_NAME Rolle-Kampczyk ST:FIRST_NAME Ulrike ST:ADDRESS Permoserstrasse 15, 04318 Leipzig, Germany ST:EMAIL ulrike.rolle-kampczyk@ufz.de ST:PHONE 0049 341 235 1537 #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 - L_K9D1_pos Litter:9 | Day after birth:1 RAW_FILE_NAME=L_K9D1_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K10D1_pos Litter:10 | Day after birth:1 RAW_FILE_NAME=L_K10D1_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K11D1_pos Litter:11 | Day after birth:1 RAW_FILE_NAME=L_K11D1_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K7D7_pos Litter:7 | Day after birth:7 RAW_FILE_NAME=L_K7D7_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K8D7_pos Litter:8 | Day after birth:7 RAW_FILE_NAME=L_K8D7_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K9D7_pos Litter:9 | Day after birth:7 RAW_FILE_NAME=L_K9D7_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K10D7_pos Litter:10 | Day after birth:7 RAW_FILE_NAME=L_K10D7_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K11D7_pos Litter:11 | Day after birth:7 RAW_FILE_NAME=L_K11D7_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K7D14_pos Litter:7 | Day after birth:14 RAW_FILE_NAME=L_K7D14_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K8D14_pos Litter:8 | Day after birth:14 RAW_FILE_NAME=L_K8D14_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K9D14_pos Litter:9 | Day after birth:14 RAW_FILE_NAME=L_K9D14_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K10D14_pos Litter:10 | Day after birth:14 RAW_FILE_NAME=L_K10D14_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K11D14_pos Litter:11 | Day after birth:14 RAW_FILE_NAME=L_K11D14_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K7D21_pos Litter:7 | Day after birth:21 RAW_FILE_NAME=L_K7D21_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K8D21_pos Litter:8 | Day after birth:21 RAW_FILE_NAME=L_K8D21_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K9D21_pos Litter:9 | Day after birth:21 RAW_FILE_NAME=L_K9D21_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K10D21_pos Litter:10 | Day after birth:21 RAW_FILE_NAME=L_K10D21_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K11D21_pos Litter:11 | Day after birth:21 RAW_FILE_NAME=L_K11D21_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K7D28_pos Litter:7 | Day after birth:28 RAW_FILE_NAME=L_K7D28_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K8D28_pos Litter:8 | Day after birth:28 RAW_FILE_NAME=L_K8D28_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K9D28_pos Litter:9 | Day after birth:28 RAW_FILE_NAME=L_K9D28_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K10D28_pos Litter:10 | Day after birth:28 RAW_FILE_NAME=L_K10D28_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K11D28_pos Litter:11 | Day after birth:28 RAW_FILE_NAME=L_K11D28_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K7D56_pos Litter:7 | Day after birth:56 RAW_FILE_NAME=L_K7D56_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K8D56_pos Litter:8 | Day after birth:56 RAW_FILE_NAME=L_K8D56_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K9D56_pos Litter:9 | Day after birth:56 RAW_FILE_NAME=L_K9D56_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K10D56_pos Litter:10 | Day after birth:56 RAW_FILE_NAME=L_K10D56_pos.wiff SUBJECT_SAMPLE_FACTORS - L_K11D56_pos Litter:11 | Day after birth:56 RAW_FILE_NAME=L_K11D56_pos.wiff #COLLECTION CO:COLLECTION_SUMMARY Animals were sacrificed and the liver tissue was removed, snap frozen in liquid CO:COLLECTION_SUMMARY nitrogen and stored at -80°C until further analysis CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY All C57BL6J wildtype mice were bred locally and held under specific TR:TREATMENT_SUMMARY pathogen-free conditions at the Institute of Laboratory Animal Science at RWTH TR:TREATMENT_SUMMARY Aachen University Hospital. The day of birth was considered day 0, i.e. animals TR:TREATMENT_SUMMARY screened at day 1 were approximately 24 h old and verified to have ingested TR:TREATMENT_SUMMARY breast milk (abdominal milk spot). Mice were weaned at PND21. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Solvents: Acetonitril (Merck KGaA, Darmstadt, Germany hypergrade for LC-MS) SP:SAMPLEPREP_SUMMARY Water MiliQ, Extracting agent - ACN / H2O (1:1) Equipment 4 steel balls size M SP:SAMPLEPREP_SUMMARY Eppendorf Tubes 2mL Tissue slicer (Rettberg, Germany) Centrifuge (Sigma) Work SP:SAMPLEPREP_SUMMARY steps Approximately 100mg of sample and 4 steel balls of size M into each tube. SP:SAMPLEPREP_SUMMARY Per mg of sample 5µL of extracting agent was added. Shake the samples for 10 SP:SAMPLEPREP_SUMMARY minutes at 30 Hz in the tissue slicer and centrifuge for 2 minutes at 14000 rpm. SP:SAMPLEPREP_SUMMARY The supernatant was used for the targeted analytics. Kit reparation The analysis SP:SAMPLEPREP_SUMMARY was performed using the validated MetIDQ p180 Kit and described in Siskos et al. SP:SAMPLEPREP_SUMMARY [1]. Data processing was carried out with the provided quantitation method Kit SP:SAMPLEPREP_SUMMARY (Biocrates Life Sciences AG, Innsbruck, Austria). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME UPLC (Waters Acquity, Waters Corporation, Milford, USA) CH:COLUMN_NAME Agilent Zorbax Eclipse XDB C18 (3.0 x 100 mm, 3.5 µM) CH:CHROMATOGRAPHY_COMMENTS Agilent, Zorbax Eclipse XDB C18, 3.0 x 100 mm, 3.5 µM, Agilent Waldbronn, CH:CHROMATOGRAPHY_COMMENTS Germany #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Analyst version 1.6 Software from SCIEX. For Validation METIDQ Software version MS:MS_COMMENTS Boron from Biocrates #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS µM MS_METABOLITE_DATA_START Samples L_K9D1_pos L_K10D1_pos L_K11D1_pos L_K7D7_pos L_K8D7_pos L_K9D7_pos L_K10D7_pos L_K11D7_pos L_K7D14_pos L_K8D14_pos L_K9D14_pos L_K10D14_pos L_K11D14_pos L_K7D21_pos L_K8D21_pos L_K9D21_pos L_K10D21_pos L_K11D21_pos L_K7D28_pos L_K8D28_pos L_K9D28_pos L_K10D28_pos L_K11D28_pos L_K7D56_pos L_K8D56_pos L_K9D56_pos L_K10D56_pos L_K11D56_pos Factors Litter:9 | Day after birth:1 Litter:10 | Day after birth:1 Litter:11 | Day after birth:1 Litter:7 | Day after birth:7 Litter:8 | Day after birth:7 Litter:9 | Day after birth:7 Litter:10 | Day after birth:7 Litter:11 | Day after birth:7 Litter:7 | Day after birth:14 Litter:8 | Day after birth:14 Litter:9 | Day after birth:14 Litter:10 | Day after birth:14 Litter:11 | Day after birth:14 Litter:7 | Day after birth:21 Litter:8 | Day after birth:21 Litter:9 | Day after birth:21 Litter:10 | Day after birth:21 Litter:11 | Day after birth:21 Litter:7 | Day after birth:28 Litter:8 | Day after birth:28 Litter:9 | Day after birth:28 Litter:10 | Day after birth:28 Litter:11 | Day after birth:28 Litter:7 | Day after birth:56 Litter:8 | Day after birth:56 Litter:9 | Day after birth:56 Litter:10 | Day after birth:56 Litter:11 | Day after birth:56 Carnitine 4.916201117 3.4169279 4.18699187 0.823723229 0.520737327 0.638386648 0.644200627 0.912751678 0.727480046 0.446791227 0.867021277 0.4 0.269810085 0.290625 0.190754516 0.208086253 0.374115983 0.481786942 0.135877152 0.150419287 0.186694387 0.271774722 0.371445154 0.27258567 0.236021998 0.15273523 0.356147022 0.212170167 Decanoylcarnitine 0.00726257 0.003573668 0.005121951 0.001976936 0.001059908 0.001696801 0.001520376 0.002505593 0.001322691 0.000852965 0.001808511 0.000688525 0.000602489 0.000567708 0.000568544 0.000609164 0.000820368 0.000632302 0.000530479 0.000503145 0.00049896 0.000687623 0.000557168 0.000623053 0.000430797 0.000468271 0.000633714 0.000624663 Decenoylcarnitine 0.003910615 0.001755486 0.00300813 0.000955519 0.000626728 0.00108484 0.000799373 0.001521253 0.000741163 0.000528026 0.001152482 0.000401639 0.000386379 0.000333333 0.000297556 0.000318059 0.000544554 0.000378007 0.000367613 0.000293501 0.00027027 0.00043222 0.000313407 0.000384216 0.000238313 0.000271335 0.000405577 0.000376952 Decadienylcarnitine 0.003072626 0.001410658 0.002357724 0.000840198 0.000497696 0.000834492 0.000595611 0.001275168 0.000558723 0.000414297 0.000868794 0.000311475 0.000281598 0.000244792 0.000249734 0.000253369 0.000438472 0.000316151 0.000288506 0.000214885 0.000203742 0.000360183 0.000249565 0.000301142 0.00020165 0.000231947 0.000291508 0.000269251 Dodecanoylcarnitine 0.004916201 0.002633229 0.003821138 0.001449753 0.000709677 0.001196106 0.001003135 0.001767338 0.000866591 0.000593014 0.001329787 0.000467213 0.00043222 0.000385417 0.000340064 0.000350404 0.000622348 0.000446735 0.000395533 0.00028826 0.000320166 0.000504257 0.000359837 0.0003946 0.000265811 0.00028884 0.000418251 0.000393107 Dedecanedioylcarnitine 0.020111732 0.009529781 0.015243902 0.004744646 0.00278341 0.004436718 0.004153605 0.006487696 0.003432155 0.002623883 0.004929078 0.002057377 0.001702685 0.001614583 0.001466525 0.001525606 0.002079208 0.001876289 0.001437878 0.001325996 0.001442827 0.001774722 0.001508996 0.001386293 0.001090742 0.00121663 0.001552598 0.001497038 Dodecenoylcarnitine 0.006815642 0.002131661 0.003861789 0.003196046 0.001096774 0.001557719 0.001363636 0.002102908 0.001163056 0.00077173 0.002234043 0.001040984 0.000831696 0.001369792 0.001089267 0.001315364 0.001506365 0.000714777 0.001126105 0.001032495 0.002182952 0.001218075 0.001108532 0.001033229 0.000829514 0.000932166 0.001147022 0.001195477 Tetradecanoylcarnitine 0.005921788 0.003416928 0.004471545 0.00184514 0.000912442 0.001404729 0.001238245 0.002348993 0.001037628 0.000714866 0.001631206 0.000663934 0.000510806 0.000588542 0.000568544 0.000603774 0.000876945 0.000508591 0.000558399 0.000461216 0.001160083 0.00070072 0.000522345 0.000586708 0.000375802 0.000437637 0.000722433 0.000506193 Tetradecenoylcarnitine 0.001787709 0.000909091 0.001747967 0.000560132 0.000341014 0.000570236 0.000360502 0.000693512 0.00036488 0.000316816 0.000620567 0.000213115 0.000170269 0.00015625 0.000201913 0.00019407 0.000381895 0.000226804 0.000214053 0.000162474 0.000174636 0.000288147 0.000168311 0.000249221 0.000128323 0.000148796 0.000253485 0.000210016 Hydroxytetradecenoylcarnitine 0.002011173 0.000877743 0.001666667 0.000609555 0.000341014 0.000556328 0.000438871 0.000738255 0.000444698 0.000324939 0.000691489 0.000237705 0.000209561 0.000177083 0.00021254 0.000204852 0.000367751 0.000219931 0.000200093 0.000162474 0.000158004 0.000275049 0.000208938 0.000228453 0.000137489 0.000153173 0.0002218 0.000231556 Tetradecadienoylcarnitine 0.001173184 0.000595611 0.001056911 0.000395387 0.000230415 0.000375522 0.00023511 0.00049217 0.000250855 0.000194963 0.000460993 0.000147541 0.000124427 9.89583E-05 0.00012221 0.00012938 0.000254597 0.000137457 0.000134946 9.43396E-05 9.97921E-05 0.000176817 0.000104469 0.00017134 8.24931E-05 9.62801E-05 0.000158428 0.000145396 Hydroxytetradecadienoylcarnitine 0.001173184 0.000564263 0.00101626 0.000411862 0.000239631 0.000347705 0.000297806 0.000447427 0.00031927 0.000219334 0.000443262 0.000188525 0.000144073 0.000125 0.000148778 0.000145553 0.000240453 0.00014433 0.0001396 0.000115304 0.000112266 0.000209561 0.000145096 0.000176532 0.000114574 0.000113786 0.000183777 0.000145396 Hexadecanoylcarnitine 0.004804469 0.00476489 0.00495935 0.001350906 0.000663594 0.000973574 0.000987461 0.002013423 0.000786773 0.000487409 0.001010638 0.000442623 0.000340537 0.000276042 0.000297556 0.000215633 0.000388967 0.000357388 0.00022336 0.000204403 0.000203742 0.000314342 0.000255369 0.000264798 0.000178735 0.000201313 0.000392902 0.000258481 Hydroxyhexadecanoylcarnitine 0.002346369 0.001410658 0.002073171 0.000675453 0.00043318 0.000681502 0.000564263 0.000939597 0.000535918 0.000406174 0.00070922 0.000295082 0.000248854 0.000203125 0.000217853 0.000210243 0.000339463 0.000295533 0.000214053 0.000167715 0.000174636 0.000275049 0.000214742 0.000264798 0.000164986 0.000188184 0.000297845 0.000226171 Hexadecenoylcarnitine 0.002122905 0.001504702 0.00195122 0.000560132 0.000368664 0.00054242 0.000517241 0.00082774 0.00041049 0.000308692 0.000585106 0.000245902 0.000203012 0.000197917 0.00021254 0.000183288 0.000275813 0.000226804 0.00018148 0.000178197 0.000178794 0.000235756 0.000191526 0.000212876 0.00015582 0.000148796 0.000234474 0.000183091 Hydroxyhexadecenoylcarnitine 0.001396648 0.000752351 0.001219512 0.000411862 0.000258065 0.000403338 0.000329154 0.000581655 0.000330673 0.000235581 0.000443262 0.000172131 0.00016372 0.000135417 0.000138151 0.000140162 0.000226308 0.000158076 0.000130293 0.000110063 0.000120582 0.000170269 0.000133488 0.000166147 0.000105408 0.000113786 0.000171103 0.000145396 Hexadecadienylcarnitine 0.001620112 0.000752351 0.001056911 0.000329489 0.000239631 0.00038943 0.00031348 0.000536913 0.000307868 0.000194963 0.000460993 0.000213115 0.000157171 0.000145833 0.000132837 0.000140162 0.000212164 0.000178694 0.000144253 0.000125786 0.000153846 0.000203012 0.0001509 0.000155763 0.000114574 0.000109409 0.000196451 0.000145396 Hydroxyhexadecadienylcarnitine 0.001452514 0.000689655 0.001219512 0.000395387 0.000248848 0.00038943 0.000329154 0.000536913 0.000353478 0.000227457 0.000407801 0.000188525 0.000150622 0.000125 0.000132837 0.000123989 0.000205092 0.000178694 0.0001396 0.000115304 0.000108108 0.00016372 0.000145096 0.000150571 0.000105408 0.000113786 0.000164766 0.000140011 Octadecanoylcarnitine 0.002234637 0.001880878 0.002113821 0.000477759 0.000285714 0.000458971 0.000344828 0.00064877 0.000376283 0.000259951 0.000514184 0.000213115 0.000183366 0.000151042 0.000154091 0.000145553 0.000247525 0.000199313 0.00015356 0.000120545 0.000116424 0.000209561 0.000162507 0.000176532 0.000114574 0.000122538 0.00017744 0.000156166 Octadecenoylcarnitine 0.003519553 0.004952978 0.004796748 0.000609555 0.000304147 0.000486787 0.000438871 0.000872483 0.00036488 0.000243704 0.000478723 0.000213115 0.000176817 0.000182292 0.000180659 0.00012938 0.000219236 0.00019244 0.0001396 0.000131027 0.00016632 0.000229208 0.000191526 0.000155763 0.000119157 0.000122538 0.000202788 0.000183091 Hydroxyoctadecenoylcarnitine 0.002346369 0.001661442 0.002235772 0.000873147 0.000534562 0.00077886 0.000673981 0.000961969 0.000661345 0.000503656 0.000851064 0.00047541 0.000406025 0.000364583 0.000419766 0.000377358 0.000509194 0.000412371 0.00029316 0.000283019 0.000295218 0.000458415 0.000377249 0.000399792 0.000270394 0.00028884 0.000443599 0.000290792 Octadecadienylcarnitine 0.002793296 0.002163009 0.002560976 0.000593081 0.00035023 0.000556328 0.000438871 0.000850112 0.000433295 0.000268075 0.000567376 0.000237705 0.000183366 0.000177083 0.000127524 0.00012938 0.000226308 0.000226804 0.000130293 0.000115304 0.000133056 0.000176817 0.000162507 0.000166147 0.000128323 0.000122538 0.000190114 0.000166936 Acetylcarnitine 0.045977654 0.068965517 0.087398374 0.004596376 0.003778802 0.003115438 0.003416928 0.00557047 0.00281642 0.001592201 0.004255319 0.001721311 0.001270465 0.001098958 0.000712009 0.000760108 0.001958982 0.001766323 0.000572359 0.000587002 0.000727651 0.001021611 0.000992455 0.000747664 0.000728689 0.000512035 0.000836502 0.00092084 Propionylcarnitine 0.025418994 0.007899687 0.018170732 0.000840198 0.000801843 0.000723227 0.001065831 0.001364653 0.000718358 0.000576767 0.001170213 0.000696721 0.000537001 0.000458333 0.00021254 0.000269542 0.000615276 0.002213058 0.000172173 0.000183438 0.000241164 0.00037983 0.000667441 0.000254413 0.000210816 0.000175055 0.000335868 0.000263866 Hydroxypropionylcarnitine 0.001899441 0.000909091 0.001300813 0.000411862 0.000248848 0.000375522 0.00039185 0.000581655 0.000307868 0.000194963 0.000425532 0.000172131 0.000150622 0.000130208 0.000111583 0.000118598 0.000155587 0.000158076 0.000107027 9.43396E-05 7.90021E-05 0.000157171 0.000116077 0.000119418 0.000105408 9.19037E-05 0.000139417 0.000123856 Propenoylcarnitine 0.001452514 0.000626959 0.000934959 0.000345964 0.000193548 0.000375522 0.000219436 0.000402685 0.000216648 0.00018684 0.000390071 0.000114754 0.000111329 9.89583E-05 8.50159E-05 0.000107817 0.000176803 0.000123711 0.000116333 8.90985E-05 7.90021E-05 0.000137525 9.86651E-05 0.000124611 7.33272E-05 8.75274E-05 0.000114068 0.000107701 Butyrylcarnitine 0.016368715 0.013793103 0.012642276 0.00291598 0.00121659 0.0018637 0.002304075 0.004295302 0.001288483 0.000609261 0.001613475 0.000508197 0.000464964 0.000317708 0.00022848 0.000242588 0.000700141 0.000439863 0.000228013 0.000220126 0.000257796 0.000333988 0.000388857 0.00029595 0.000252062 0.000223195 0.000278834 0.000312332 Hydroxybutyrylcarnitine 0.020055866 0.016175549 0.01800813 0.005189456 0.002110599 0.002253129 0.002727273 0.004653244 0.003386545 0.001202275 0.002765957 0.001081967 0.000667976 0.000828125 0.000483528 0.00051752 0.001364922 0.000694158 0.000642159 0.000539832 0.000769231 0.001218075 0.001683111 0.00123053 0.001333639 0.001111597 0.001242079 0.001136241 Butenylcarnitine 0.003407821 0.001410658 0.001869919 0.000939044 0.000534562 0.000667594 0.000626959 0.000894855 0.000661345 0.000438668 0.001046099 0.000442623 0.000360183 0.000364583 0.00033475 0.000361186 0.000480905 0.000350515 0.000353653 0.000361635 0.000253638 0.000438769 0.000388857 0.000430945 0.00032539 0.000354486 0.000456274 0.000446957 Valerylcarnitine 0.021452514 0.025736677 0.020569106 0.006194399 0.003050691 0.004311544 0.004639498 0.008098434 0.00381984 0.001714054 0.005531915 0.001295082 0.001021611 0.000770833 0.000377258 0.000442049 0.000721358 0.000955326 0.000353653 0.000303983 0.000440748 0.000550098 0.000731283 0.000404984 0.000398717 0.000271335 0.000456274 0.000376952 Methylglutarylcarnitine 0.006871508 0.005924765 0.003943089 0.006029654 0.001741935 0.002851182 0.003495298 0.003892617 0.003660205 0.001064175 0.002003546 0.000737705 0.000458415 0.0005625 0.00033475 0.000366577 0.000671853 0.000378007 0.000451373 0.000330189 0.001006237 0.000471513 0.000771909 0.000477674 0.000307058 0.000328228 0.000342205 0.000328487 Hydroxyvalerylcarnitine (Methylmalonylcarnitine) 0.009776536 0.005297806 0.00695122 0.002355848 0.001483871 0.001988873 0.002037618 0.003221477 0.001676169 0.001007311 0.001843972 0.00097541 0.000726916 0.00071875 0.000579171 0.000609164 0.000813296 0.000714777 0.000511866 0.000513627 0.000528067 0.00086444 0.00089379 0.000732087 0.000641613 0.000450766 0.000874525 0.000635433 Tiglylcarnitine 0.006312849 0.005830721 0.00504065 0.00169687 0.000820276 0.001404729 0.001489028 0.003266219 0.001037628 0.00058489 0.001560284 0.00042623 0.000399476 0.000192708 0.000154091 0.000161725 0.000275813 0.000364261 0.00015356 0.000131027 0.000141372 0.000196464 0.000185723 0.000150571 0.000119157 0.000113786 0.000164766 0.000188476 Glutaconylcarnitine 0.002849162 0.001316614 0.001910569 0.000757825 0.00035023 0.000514604 0.000470219 0.000917226 0.000513113 0.00034931 0.000567376 0.000237705 0.000203012 0.000208333 0.000164718 0.000156334 0.000261669 0.00024055 0.000172173 0.000209644 0.000141372 0.000189915 0.000185723 0.00017134 0.000137489 0.000140044 0.000196451 0.000193861 Hexanoylcarnitine (Fumarylcarnitine) 0.002849162 0.001159875 0.001829268 0.000807249 0.000451613 0.00069541 0.000626959 0.000894855 0.000752566 0.00039805 0.000868794 0.000368852 0.000275049 0.000265625 0.000196599 0.000237197 0.000339463 0.000378007 0.00019544 0.000209644 0.00018711 0.0002685 0.000383053 0.000254413 0.000206233 0.000183807 0.000247148 0.000253096 Glutarylcarnitine (Hydroxyhexanoylcarnitine) 0.012513966 0.004639498 0.006097561 0.001762768 0.000894009 0.001293463 0.001347962 0.00212528 0.002200684 0.001088546 0.002234043 0.000959016 0.000628684 0.00071875 0.000467588 0.000544474 0.000855728 0.000735395 0.000460679 0.000387841 0.000677755 0.000713818 0.001073709 0.000695742 0.000522456 0.000450766 0.001159696 0.000667744 Hexenoylcarnitine 0.002178771 0.000846395 0.001463415 0.000444811 0.000267281 0.000486787 0.000407524 0.000626398 0.000387685 0.000235581 0.000567376 0.000188525 0.000170269 0.000161458 0.000127524 0.000145553 0.000212164 0.000199313 0.00015356 0.000120545 9.97921E-05 0.000176817 0.000133488 0.000155763 0.000109991 0.000118162 0.000158428 0.000166936 Pimelylcarnitine 0.005698324 0.003040752 0.003902439 0.002092257 0.000940092 0.001808067 0.001394984 0.003154362 0.001573546 0.000519903 0.001507092 0.000483607 0.000392927 0.000385417 0.000270988 0.000301887 0.000756719 0.000494845 0.000400186 0.000513627 0.000511435 0.000360183 0.000464306 0.000607477 0.000490376 0.000280088 0.000291508 0.000274637 Octanoylcarnitine 0.009162011 0.004388715 0.006056911 0.002125206 0.001364055 0.001961057 0.001802508 0.002908277 0.001596351 0.00112104 0.002446809 0.000991803 0.00081205 0.000708333 0.000669501 0.000738544 0.001067893 0.000948454 0.000618893 0.00062369 0.000482328 0.000877538 0.00069646 0.000669782 0.000568286 0.000525164 0.000766793 0.001017771 Nonaylcarnitine 0.003407821 0.001786834 0.002804878 0.001103789 0.000562212 0.000904033 0.000815047 0.001275168 0.000912201 0.000528026 0.00108156 0.00045082 0.000307793 0.00028125 0.000270988 0.000274933 0.000452617 0.00033677 0.000302466 0.000272537 0.00027027 0.000340537 0.000319211 0.000321911 0.000233731 0.000223195 0.000329531 0.000274637 lysoPhosphatidylcholine acyl C14:0 0.277653631 0.151097179 0.188617886 0.105601318 0.046451613 0.078581363 0.085109718 0.136689038 0.056556442 0.039723802 0.091134752 0.042295082 0.035101506 0.023385417 0.022848034 0.021671159 0.029773692 0.028178694 0.018054909 0.019811321 0.016049896 0.025343811 0.025827046 0.019522326 0.017277727 0.015623632 0.024461343 0.020570813 lysoPhosphatidylcholine acyl C16:0 2.452513966 1.811912226 2.296747967 0.766062603 0.284792627 0.50069541 0.543887147 1.156599553 0.270239453 0.218521527 0.485815603 0.23442623 0.206286837 0.1640625 0.191285866 0.150404313 0.146393211 0.114776632 0.133085156 0.126834382 0.082744283 0.136869679 0.160766106 0.126168224 0.093492209 0.081838074 0.139416984 0.09639203 lysoPhosphatidylcholine acyl C16:1 0.079329609 0.065203762 0.101626016 0.019604613 0.005585253 0.012141864 0.012915361 0.034228188 0.005165336 0.004874086 0.008404255 0.004221311 0.0037852 0.011302083 0.025557917 0.012614555 0.00615983 0.003230241 0.012052117 0.01163522 0.007858628 0.013817944 0.008879861 0.013759086 0.009165903 0.007877462 0.016476553 0.007000539 lysoPhosphatidylcholine acyl C17:0 0.01603352 0.012727273 0.016382114 0.003459638 0.001271889 0.001919332 0.002225705 0.00541387 0.001379704 0.001299756 0.002819149 0.001106557 0.001204977 0.00134375 0.001147715 0.001078167 0.00092645 0.000914089 0.000805026 0.000880503 0.000540541 0.001008513 0.00124202 0.000981308 0.000742438 0.000800875 0.002034221 0.001184707 lysoPhosphatidylcholine acyl C18:0 0.422346369 0.426332288 0.451219512 0.119769357 0.037880184 0.062447844 0.076959248 0.180760626 0.036488027 0.028594639 0.073404255 0.031147541 0.034184676 0.021354167 0.024760893 0.020485175 0.017963225 0.018350515 0.022149837 0.021645702 0.012266112 0.02724296 0.022751016 0.017860852 0.015811182 0.013347921 0.028326996 0.02541734 lysoPhosphatidylcholine acyl C18:1 0.31452514 0.347962382 0.5 0.111037891 0.031336406 0.063143255 0.069435737 0.182997763 0.034093501 0.032737612 0.069326241 0.034344262 0.027046496 0.041927083 0.076514346 0.043180593 0.033239038 0.026941581 0.040297813 0.045492662 0.026777547 0.050425671 0.037260592 0.044807892 0.03395967 0.028358862 0.08365019 0.037210555 lysoPhosphatidylcholine acyl C18:2 0.455307263 0.394984326 0.528455285 0.331136738 0.107834101 0.225312935 0.202194357 0.458612975 0.156214367 0.126726239 0.255319149 0.127868852 0.096267191 0.097395833 0.103613177 0.082479784 0.089816124 0.083161512 0.085155886 0.079140461 0.055301455 0.089063523 0.078351712 0.106438214 0.073327223 0.098030635 0.207224335 0.120624663 lysoPhosphatidylcholine acyl C20:3 0.029273743 0.022476489 0.030121951 0.032948929 0.010506912 0.020305981 0.021943574 0.049217002 0.01277081 0.011291633 0.020921986 0.012704918 0.009495743 0.00875 0.014399575 0.007331536 0.007991513 0.004494845 0.008655188 0.008647799 0.006153846 0.011918795 0.007080673 0.012564901 0.010082493 0.008708972 0.024588086 0.009369952 lysoPhosphatidylcholine acyl C20:4 0.384916201 0.284639498 0.414634146 0.362438221 0.114285714 0.235048679 0.217868339 0.478747204 0.139110604 0.1226645 0.230496454 0.11557377 0.102815979 0.08125 0.089798087 0.077088949 0.089108911 0.09347079 0.074918567 0.068134172 0.053638254 0.095612312 0.089959373 0.069055036 0.055453712 0.062582057 0.188212928 0.114162628 lysoPhosphatidylcholine acyl C24:0 0.005642458 0.004482759 0.005650407 0.000906096 0.000359447 0.000625869 0.000673981 0.001879195 0.000262258 0.000194963 0.000656028 0.000213115 0.000196464 9.89583E-05 0.000100956 0.000123989 0.000212164 0.000151203 0.00011168 0.000125786 9.97921E-05 0.000137525 0.000156703 9.34579E-05 8.24931E-05 9.19037E-05 0.000145754 0.000129241 lysoPhosphatidylcholine acyl C26:0 0.001564246 0.001943574 0.001544715 0.000873147 0.000267281 0.000570236 0.000532915 0.001297539 0.000262258 0.000227457 0.000567376 0.000245902 0.000196464 0.000104167 0.000170032 0.00012938 0.000162659 0.000151203 0.00012564 0.000125786 0.000116424 0.000176817 0.0001509 0.000150571 0.000105408 0.000126915 0.00026616 0.000150781 lysoPhosphatidylcholine acyl C26:1 0.000726257 0.001159875 0.001178862 0.000444811 0.000147465 0.000250348 0.00039185 0.000760626 0.000114025 7.31113E-05 0.00035461 0.000106557 0.000111329 0.000078125 9.56429E-05 7.54717E-05 0.000106082 0.000116838 5.11866E-05 7.86164E-05 7.06861E-05 9.82318E-05 9.28613E-05 7.26895E-05 3.66636E-05 7.87746E-05 0.000120406 7.53904E-05 lysoPhosphatidylcholine acyl C28:0 0.002905028 0.003667712 0.00300813 0.001252059 0.000423963 0.000723227 0.000877743 0.002527964 0.000467503 0.000284322 0.000992908 0.000245902 0.000307793 0.000234375 0.000185972 0.000215633 0.000261669 0.000268041 0.000190786 0.000204403 0.000162162 0.000242305 0.000226349 0.000192108 0.000164986 0.000170678 0.000240811 0.000199246 lysoPhosphatidylcholine acyl C28:1 0.002178771 0.002131661 0.002073171 0.000807249 0.000341014 0.00054242 0.000642633 0.001431767 0.000399088 0.000284322 0.000691489 0.000270492 0.000275049 0.000229167 0.000223167 0.000226415 0.000311174 0.000185567 0.000214053 0.000225367 0.000158004 0.000222659 0.000203134 0.000160955 0.000100825 0.000140044 0.000228137 0.000204631 Phosphatidylcholine Diacyl C24:0 0.001061453 0.000940439 0.00097561 0.000510708 0.000193548 0.000333797 0.000438871 0.000782998 0.000193843 0.000129976 0.000425532 0.000155738 0.000130976 7.29167E-05 6.3762E-05 7.00809E-05 9.90099E-05 9.62199E-05 6.04933E-05 8.38574E-05 6.23701E-05 9.82318E-05 6.9646E-05 6.23053E-05 6.87443E-05 6.12691E-05 9.5057E-05 8.07754E-05 Phosphatidylcholine Diacyl C26:0 0.016703911 0.011786834 0.012439024 0.005584843 0.002829493 0.004394993 0.005188088 0.007740492 0.003489168 0.002331438 0.005460993 0.0025 0.001971185 0.001520833 0.001551541 0.001617251 0.002157001 0.002061856 0.001368078 0.001582809 0.001284823 0.001964637 0.001700522 0.001516096 0.001402383 0.001317287 0.001958175 0.001663974 Phosphatidylcholine Diacyl C28:1 0.002793296 0.004326019 0.00300813 0.000939044 0.000156682 0.000375522 0.000595611 0.001923937 0.000205245 0.000113729 0.000425532 0.000122951 0.000176817 6.77083E-05 6.3762E-05 5.92992E-05 0.000106082 0.000103093 5.11866E-05 7.33753E-05 8.31601E-05 9.1683E-05 9.86651E-05 7.78816E-05 5.04125E-05 5.68928E-05 8.23828E-05 9.15455E-05 Phosphatidylcholine Diacyl C30:0 0.053798883 0.110031348 0.056504065 0.023228995 0.001668203 0.007802503 0.012366771 0.055033557 0.001801596 0.000706742 0.007890071 0.000803279 0.002848723 0.00040625 0.000329437 0.000398922 0.00053041 0.000487973 0.000260586 0.000660377 0.000474012 0.000419122 0.000417876 0.000275182 0.000274977 0.000297593 0.000348542 0.000290792 Phosphatidylcholine Diacyl C30:2 0.002122905 0.003573668 0.001829268 0.001252059 0.000184332 0.000500695 0.000532915 0.00196868 0.000216648 0.000113729 0.000407801 7.37705E-05 0.000104781 4.16667E-05 2.1254E-05 2.69542E-05 2.12164E-05 3.43643E-05 2.792E-05 2.62055E-05 4.158E-05 2.61952E-05 3.4823E-05 1.55763E-05 1.83318E-05 3.06346E-05 5.70342E-05 2.69251E-05 Phosphatidylcholine Diacyl C32:0 0.484916201 0.94984326 0.630081301 0.091598023 0.004313364 0.03240612 0.052037618 0.272930649 0.003204105 0.000755483 0.022695035 0.001106557 0.008578913 0.00053125 0.000361318 0.001137466 0.000586987 0.000776632 0.000344346 0.007232704 0.003064449 0.001185331 0.000887986 0.000264798 0.000953254 0.001781182 0.000316857 0.000651589 Phosphatidylcholine Diacyl C32:1 0.142458101 0.332288401 0.237398374 0.023723229 0.001400922 0.007579972 0.014153605 0.061073826 0.000877993 0.000381803 0.00606383 0.00045082 0.001820563 0.000635417 0.000834219 0.000889488 0.000360679 0.000254296 0.000497906 0.006446541 0.002632017 0.001087099 0.000615206 0.000456906 0.000980752 0.001308534 0.000373891 0.000339257 Phosphatidylcholine Diacyl C32:2 0.038938547 0.078996865 0.047560976 0.017627677 0.001456221 0.006147427 0.009498433 0.031543624 0.002120867 0.000869212 0.008333333 0.000934426 0.002390308 0.000520833 0.00033475 0.000328841 0.000438472 0.000391753 0.000218706 0.0010587 0.000548857 0.000366732 0.000528149 0.000192108 0.000247479 0.000323851 0.000228137 0.000188476 Phosphatidylcholine Diacyl C32:3 0.003910615 0.007241379 0.004918699 0.001581549 0.000165899 0.000500695 0.000783699 0.002796421 0.000216648 0.000129976 0.000585106 0.000147541 0.000144073 0.000078125 7.43889E-05 6.469E-05 7.07214E-05 6.18557E-05 4.18799E-05 6.81342E-05 5.40541E-05 7.85855E-05 8.12536E-05 4.6729E-05 4.58295E-05 4.814E-05 7.60456E-05 4.84653E-05 Phosphatidylcholine Diacyl C34:1 0.988826816 1.921630094 1.719512195 0.199341021 0.009493088 0.055076495 0.118965517 0.454138702 0.007525656 0.001852153 0.071453901 0.00345082 0.019842829 0.002895833 0.003214665 0.006307278 0.002178218 0.002213058 0.00244765 0.072327044 0.024615385 0.008775377 0.003940801 0.002139148 0.008799267 0.013129103 0.001850444 0.003677975 Phosphatidylcholine Diacyl C34:2 1.469273743 2.742946708 2.292682927 0.420098847 0.030230415 0.154381085 0.271159875 0.919463087 0.033295325 0.010479285 0.218085106 0.013934426 0.062999345 0.009895833 0.005579171 0.011644205 0.007920792 0.008522337 0.006933457 0.095387841 0.036964657 0.014079895 0.01062101 0.006801661 0.015857012 0.037111597 0.006330798 0.009962305 Phosphatidylcholine Diacyl C34:3 0.108938547 0.297492163 0.244715447 0.02553542 0.001870968 0.008595271 0.014388715 0.063087248 0.002166477 0.001080422 0.008085106 0.001204918 0.002521284 0.001921875 0.001418704 0.001725067 0.001181047 0.000982818 0.001558865 0.008018868 0.003051975 0.002344466 0.0015148 0.001469367 0.001970669 0.003527352 0.00157161 0.001427033 Phosphatidylcholine Diacyl C34:4 0.017877095 0.034169279 0.023739837 0.009159802 0.000967742 0.003435327 0.004749216 0.016353468 0.001368301 0.000658002 0.004468085 0.000713115 0.001414538 0.000473958 0.000345377 0.000291105 0.000381895 0.00038488 0.000218706 0.000644654 0.000411642 0.000333988 0.000441091 0.00017134 0.00020165 0.000231947 0.000272497 0.000199246 Phosphatidylcholine Diacyl C36:0 0.030558659 0.034796238 0.03199187 0.004563427 0.001354839 0.0027121 0.003448276 0.009239374 0.001687571 0.001153534 0.003351064 0.001204918 0.00119188 0.000739583 0.000765143 0.000760108 0.001018388 0.001003436 0.000688692 0.000938155 0.000686071 0.000910282 0.000858967 0.000747664 0.000687443 0.00073523 0.000918885 0.00097469 Phosphatidylcholine Diacyl C36:1 0.186592179 0.4169279 0.330081301 0.022734761 0.001087558 0.006342142 0.012507837 0.053691275 0.000809578 0.000219334 0.008333333 0.000377049 0.002685003 0.000223958 0.000366631 0.000814016 0.00029703 0.000364261 0.0002792 0.010587002 0.002860707 0.00134905 0.000377249 0.000238837 0.001150321 0.002078775 0.000253485 0.00088853 Phosphatidylcholine Diacyl C36:2 0.5 1.235109718 0.995934959 0.184514003 0.009677419 0.05674548 0.104388715 0.387024609 0.009338655 0.002355808 0.090957447 0.003811475 0.028618206 0.002114583 0.001652497 0.004161725 0.001803395 0.002522337 0.001679851 0.044968553 0.016798337 0.007072692 0.003168891 0.001422638 0.006553621 0.014792123 0.002027883 0.004808831 Phosphatidylcholine Diacyl C36:3 0.222346369 0.827586207 0.707317073 0.082372323 0.004700461 0.02433936 0.046081505 0.241610738 0.004446978 0.001624695 0.032801418 0.00242623 0.010019646 0.002182292 0.001923486 0.002738544 0.001732673 0.002020619 0.001651931 0.024790356 0.00964657 0.004826457 0.002669762 0.001838006 0.005270394 0.009277899 0.002896071 0.003247173 Phosphatidylcholine Diacyl C36:4 0.977653631 2.084639498 1.756097561 0.469522241 0.03483871 0.169680111 0.289968652 0.950782998 0.0336374 0.012835093 0.189716312 0.015655738 0.061755075 0.011875 0.007013815 0.012668464 0.00990099 0.012302405 0.008003723 0.074947589 0.033638254 0.016633923 0.014103308 0.00623053 0.013290559 0.025733042 0.008935361 0.010016155 Phosphatidylcholine Diacyl C36:5 0.063128492 0.157053292 0.122357724 0.010790774 0.00116129 0.004478442 0.006442006 0.034899329 0.001630559 0.000999188 0.004858156 0.00097541 0.001748527 0.001703125 0.001551541 0.001649596 0.000990099 0.001147766 0.001256398 0.004785115 0.002141372 0.002082515 0.001329077 0.00125649 0.001668194 0.002477024 0.001818758 0.001346257 Phosphatidylcholine Diacyl C36:6 0.01877095 0.027742947 0.017926829 0.01014827 0.001308756 0.004283727 0.005470219 0.015838926 0.001881414 0.000917953 0.00537234 0.000868852 0.001362148 0.000401042 0.000286929 0.000247978 0.000388967 0.000419244 0.00019544 0.000419287 0.000237006 0.000281598 0.00039466 0.000176532 0.000178735 0.000205689 0.000272497 0.000166936 Phosphatidylcholine Diacyl C38:0 0.026759777 0.044200627 0.038252033 0.002784185 0.000341014 0.001182197 0.001551724 0.007114094 0.000376283 0.00021121 0.00108156 0.000172131 0.00037983 0.000140625 0.000116897 0.00012938 0.000162659 0.000178694 9.77199E-05 0.00033543 0.000141372 0.000157171 0.0001509 0.000114226 0.000132906 0.000170678 0.0002218 0.000226171 Phosphatidylcholine Diacyl C38:1 0.007709497 0.012915361 0.008089431 0.000807249 0.000101382 0.000458971 0.000548589 0.002662192 0.000102623 4.87409E-05 0.000106383 8.19672E-05 9.1683E-05 0.000046875 4.2508E-05 5.92992E-05 4.24328E-05 6.18557E-05 3.25733E-05 0.000110063 5.40541E-05 5.89391E-05 4.06268E-05 2.07684E-05 5.95784E-05 5.68928E-05 6.33714E-05 0.000193861 Phosphatidylcholine Diacyl C38:3 0.068715084 0.178683386 0.125203252 0.032289951 0.001778802 0.009707928 0.018181818 0.080313199 0.001550741 0.000414297 0.012588652 0.000680328 0.004204322 0.00028125 0.00031881 0.000592992 0.00029703 0.000371134 0.000269893 0.006656184 0.002266112 0.001277014 0.000429483 0.000249221 0.00119615 0.002021882 0.000411914 0.000613893 Phosphatidylcholine Diacyl C38:4 0.509497207 1.159874608 0.914634146 0.255354201 0.013824885 0.080528512 0.147021944 0.514541387 0.012086659 0.003346872 0.096985816 0.00452459 0.034250164 0.002239583 0.001609989 0.003929919 0.002065064 0.003766323 0.001940437 0.038679245 0.016340956 0.00805501 0.003987232 0.001209761 0.005178735 0.010809628 0.002351077 0.004194938 Phosphatidylcholine Diacyl C38:5 0.265921788 0.808777429 0.662601626 0.096869852 0.004801843 0.028650904 0.047335423 0.257270694 0.004754846 0.001762794 0.02606383 0.002213115 0.007793058 0.002848958 0.002178533 0.003407008 0.002057992 0.002701031 0.001744998 0.017924528 0.008191268 0.00470203 0.00322693 0.001490135 0.003336389 0.00547046 0.003346008 0.002907916 Phosphatidylcholine Diacyl C38:6 1.268156425 2.285266458 1.865853659 0.566721582 0.053824885 0.232267038 0.36677116 1.082774049 0.054275941 0.018683997 0.253546099 0.020327869 0.067452521 0.011302083 0.006216791 0.010026954 0.010537482 0.015395189 0.007631456 0.055031447 0.022411642 0.012770138 0.013058619 0.006022845 0.009761687 0.017943107 0.008681876 0.008777598 Phosphatidylcholine Diacyl C40:1 0.011787709 0.012163009 0.01195122 0.003410214 0.00162212 0.002642559 0.003103448 0.005212528 0.002223489 0.001478473 0.003351064 0.001631148 0.001231172 0.0009375 0.000935175 0.000959569 0.001230552 0.001319588 0.000805026 0.001006289 0.000686071 0.001211526 0.001004063 0.000872274 0.000843263 0.000796499 0.001204056 0.00097469 Phosphatidylcholine Diacyl C40:2 0.003184358 0.007366771 0.005813008 0.000691928 9.21659E-05 0.000292072 0.00039185 0.001834452 0.000102623 6.49878E-05 0.000301418 6.55738E-05 9.82318E-05 3.64583E-05 4.78215E-05 5.39084E-05 4.9505E-05 6.18557E-05 4.65333E-05 9.95807E-05 4.158E-05 7.20367E-05 5.22345E-05 4.6729E-05 5.95784E-05 7.87746E-05 5.06971E-05 9.69305E-05 Phosphatidylcholine Diacyl C40:3 0.003519553 0.008025078 0.005934959 0.000889621 0.000147465 0.000458971 0.000642633 0.002684564 0.000159635 0.000105605 0.000585106 9.83607E-05 0.000157171 0.000078125 9.03294E-05 8.08625E-05 0.000113154 9.62199E-05 6.51466E-05 0.000172956 9.97921E-05 0.000111329 0.000116077 8.82658E-05 8.24931E-05 0.000122538 0.000120406 0.000123856 Phosphatidylcholine Diacyl C40:4 0.017821229 0.036990596 0.029593496 0.005288303 0.00037788 0.001724618 0.002899687 0.011208054 0.000342075 0.000154346 0.002021277 0.000180328 0.000635232 0.000109375 9.56429E-05 0.000140162 0.000127298 0.000151203 7.91066E-05 0.00067086 0.000278586 0.000189915 0.00012188 8.30737E-05 0.000169569 0.000358862 0.000107731 0.000140011 Phosphatidylcholine Diacyl C40:5 0.050782123 0.123510972 0.088617886 0.01354201 0.000543779 0.003783032 0.006316614 0.034228188 0.00054732 9.74817E-05 0.003510638 0.000147541 0.000929928 0.000145833 0.000127524 0.000269542 9.90099E-05 0.00014433 8.37599E-05 0.00192348 0.000802495 0.000327439 0.000185723 5.71132E-05 0.000270394 0.000437637 0.000139417 0.000118471 Phosphatidylcholine Diacyl C40:6 0.422905028 0.846394984 0.68699187 0.191103789 0.01235023 0.062586926 0.107366771 0.353467562 0.010250855 0.003298132 0.067198582 0.004065574 0.020628684 0.001890625 0.001546227 0.002598383 0.002178218 0.002920962 0.001544905 0.017348008 0.005779626 0.003916176 0.002402786 0.00132918 0.002584785 0.004376368 0.002097592 0.002353258 Phosphatidylcholine Diacyl C42:0 0.002569832 0.003605016 0.003211382 0.0007743 0.000304147 0.000472879 0.000689655 0.001565996 0.00031927 0.000219334 0.000691489 0.000254098 0.000242305 0.000125 0.000159405 0.000172507 0.000226308 0.000199313 0.000134946 0.000256813 0.000137214 0.000222659 0.000168311 0.000160955 0.000146654 0.000179431 0.000240811 0.000199246 Phosphatidylcholine Diacyl C42:1 0.002234637 0.003573668 0.002926829 0.000428336 0.000119816 0.000222531 0.000297806 0.000917226 0.000114025 7.31113E-05 0.000265957 7.37705E-05 8.51343E-05 0.0000625 5.3135E-05 3.77358E-05 8.48656E-05 6.87285E-05 4.65333E-05 8.38574E-05 5.82121E-05 9.1683E-05 6.9646E-05 5.19211E-05 6.41613E-05 6.12691E-05 6.97085E-05 7.53904E-05 Phosphatidylcholine Diacyl C42:2 0.00396648 0.006112853 0.005284553 0.000939044 0.000396313 0.000625869 0.000862069 0.00196868 0.000444698 0.000333063 0.000815603 0.000344262 0.000301244 0.000192708 0.000217853 0.000226415 0.000289958 0.000247423 0.000186133 0.000230608 0.00016632 0.000248854 0.000220546 0.000207684 0.000192484 0.000183807 0.00026616 0.000226171 Phosphatidylcholine Diacyl C42:4 0.002905028 0.00523511 0.00398374 0.000790774 0.000175115 0.00038943 0.000548589 0.001767338 0.000205245 0.000154346 0.000443262 0.000172131 0.000183366 7.29167E-05 0.000111583 0.000113208 0.000113154 0.000116838 8.37599E-05 0.000131027 7.48441E-05 0.000104781 8.12536E-05 9.86501E-05 9.1659E-05 0.000118162 0.000164766 0.000102316 Phosphatidylcholine Diacyl C42:5 0.003798883 0.008025078 0.006382114 0.001103789 0.000221198 0.000584145 0.000642633 0.002639821 0.000250855 0.00021121 0.00072695 0.000147541 0.000196464 8.33333E-05 0.00010627 0.000123989 0.000212164 0.000123711 0.000102373 0.000178197 0.000112266 0.000189915 8.70575E-05 0.000166147 7.33272E-05 0.000118162 0.00017744 0.000134626 Phosphatidylcholine Diacyl C42:6 0.006927374 0.010188088 0.008780488 0.002174629 0.000682028 0.001279555 0.001661442 0.004563758 0.000809578 0.000519903 0.001524823 0.000631148 0.000628684 0.000338542 0.000371945 0.00038814 0.000509194 0.000536082 0.000297813 0.000408805 0.00024948 0.000510806 0.000406268 0.000379024 0.000389551 0.00038512 0.000437262 0.000344642 Phosphatidylcholine acyl-alkyl C30:0 0.004692737 0.007272727 0.005 0.001647446 0.000368664 0.000792768 0.001206897 0.003982103 0.000433295 0.000292445 0.000833333 0.000295082 0.000320891 0.000182292 0.000180659 0.000177898 0.000275813 0.000226804 0.000172173 0.00019392 0.000149688 0.000229208 0.000191526 0.000181724 0.000164986 0.000148796 0.000209125 0.000161551 Phosphatidylcholine acyl-alkyl C30:1 0.000726257 0.001442006 0.000934959 0.000280066 7.37327E-05 0.000194715 0.000282132 0.000536913 0.000102623 6.49878E-05 0.000248227 5.7377E-05 7.85855E-05 3.64583E-05 5.3135E-05 5.92992E-05 6.36492E-05 4.811E-05 3.25733E-05 5.7652E-05 4.5738E-05 5.23903E-05 4.06268E-05 4.6729E-05 3.66636E-05 3.93873E-05 6.33714E-05 5.38503E-05 Phosphatidylcholine acyl-alkyl C30:2 0.001117318 0.000783699 0.000772358 0.000444811 0.000175115 0.000264256 0.000250784 0.000469799 0.000285063 0.000194963 0.000478723 0.000254098 0.000176817 0.000234375 0.00022848 0.000215633 0.000240453 0.000151203 0.00012564 0.000136268 0.00012474 0.000248854 0.000290192 0.00017134 0.00015582 0.000148796 0.000209125 0.000156166 Phosphatidylcholine acyl-alkyl C32:1 0.010670391 0.024670846 0.017195122 0.001598023 0.000129032 0.000598053 0.001003135 0.004899329 9.12201E-05 5.68643E-05 0.000390071 5.7377E-05 0.000157171 2.60417E-05 3.1881E-05 3.77358E-05 2.82885E-05 4.12371E-05 1.86133E-05 0.000115304 7.48441E-05 5.23903E-05 3.4823E-05 2.59605E-05 3.66636E-05 4.814E-05 3.80228E-05 4.84653E-05 Phosphatidylcholine acyl-alkyl C32:2 0.001340782 0.003009404 0.002073171 0.000362438 0.000110599 0.000264256 0.00031348 0.000961969 0.000125428 8.12348E-05 0.000212766 0.000106557 9.82318E-05 3.64583E-05 4.78215E-05 5.39084E-05 9.19378E-05 8.24742E-05 3.72266E-05 5.24109E-05 5.40541E-05 6.54879E-05 5.22345E-05 5.19211E-05 4.12466E-05 4.814E-05 7.60456E-05 5.92353E-05 Phosphatidylcholine acyl-alkyl C34:0 0.011620112 0.023134796 0.016504065 0.001367381 0.000184332 0.000570236 0.000799373 0.003758389 0.000171038 0.000113729 0.000638298 0.000122951 0.00021611 5.72917E-05 7.97024E-05 0.000113208 0.000127298 8.93471E-05 7.44532E-05 0.00024109 0.000112266 0.000124427 8.12536E-05 0.000109034 8.24931E-05 8.75274E-05 0.000101394 9.69305E-05 Phosphatidylcholine acyl-alkyl C34:1 0.082122905 0.199373041 0.139837398 0.010494234 0.000626728 0.003518776 0.005830721 0.034228188 0.000490308 0.000284322 0.002269504 0.000254098 0.000857891 0.0001875 0.000180659 0.000269542 0.000176803 0.000206186 0.00011168 0.001320755 0.000503119 0.0002685 0.000220546 0.000145379 0.00020165 0.000345733 0.000164766 0.000193861 Phosphatidylcholine acyl-alkyl C34:2 0.021731844 0.057680251 0.038739837 0.004497529 0.000313364 0.001460362 0.002460815 0.013557047 0.00027366 0.000121852 0.001329787 0.000122951 0.000438769 0.000125 7.43889E-05 0.000134771 8.48656E-05 0.000103093 6.97999E-05 0.00062369 0.000237006 0.000130976 0.000110273 7.26895E-05 0.000109991 0.000253829 0.000126743 0.000145396 Phosphatidylcholine acyl-alkyl C34:3 0.002681564 0.005799373 0.004349593 0.000494234 6.45161E-05 0.000208623 0.000407524 0.001387025 9.12201E-05 3.24939E-05 0.000230496 5.7377E-05 9.1683E-05 4.16667E-05 3.1881E-05 2.69542E-05 3.53607E-05 4.12371E-05 2.792E-05 7.86164E-05 4.158E-05 5.89391E-05 4.06268E-05 3.11526E-05 3.20807E-05 5.68928E-05 4.43599E-05 5.92353E-05 Phosphatidylcholine acyl-alkyl C36:0 0.007541899 0.009028213 0.008739837 0.001729819 0.000645161 0.001196106 0.001347962 0.002930649 0.000866591 0.000544273 0.001365248 0.000606557 0.000537001 0.000369792 0.000382572 0.000366577 0.000480905 0.0004811 0.000311773 0.000445493 0.00029106 0.000451866 0.000388857 0.000342679 0.000307058 0.00033698 0.000456274 0.000398492 Phosphatidylcholine acyl-alkyl C36:1 0.016089385 0.034796238 0.027560976 0.002520593 0.000368664 0.000959666 0.001598746 0.006107383 0.00041049 0.000251828 0.00141844 0.000286885 0.000451866 0.000177083 0.000185972 0.000237197 0.00023338 0.000226804 0.0001396 0.000843816 0.000345114 0.000261952 0.000220546 0.000160955 0.000215399 0.000371991 0.000240811 0.000516963 Phosphatidylcholine acyl-alkyl C36:2 0.024636872 0.065517241 0.05 0.004925865 0.00043318 0.001891516 0.002915361 0.012863535 0.000524515 0.000227457 0.002358156 0.000278689 0.000726916 0.000229167 0.000185972 0.00025876 0.000226308 0.000206186 0.00015356 0.001242138 0.000536383 0.000327439 0.000220546 0.00017134 0.000284143 0.000603939 0.000278834 0.000441572 Phosphatidylcholine acyl-alkyl C36:3 0.01301676 0.036363636 0.02703252 0.003113674 0.000221198 0.001070932 0.001739812 0.009798658 0.000216648 0.000138099 0.000797872 0.000114754 0.0002685 0.000104167 8.50159E-05 0.00012938 7.07214E-05 0.000109966 6.51466E-05 0.000445493 0.000162162 0.000124427 9.28613E-05 0.000103842 0.00012374 0.000271335 0.000164766 0.000156166 Phosphatidylcholine acyl-alkyl C36:4 0.047932961 0.104388715 0.077235772 0.008912685 0.000534562 0.00294854 0.004717868 0.021073826 0.000467503 0.000203087 0.002269504 0.000229508 0.000831696 0.000177083 0.000111583 0.000145553 0.000169731 0.000199313 0.000107027 0.000644654 0.00027027 0.000157171 0.000179919 8.30737E-05 0.00012374 0.000214442 0.000171103 0.000161551 Phosphatidylcholine acyl-alkyl C36:5 0.014413408 0.029968652 0.021056911 0.002026359 0.000202765 0.000792768 0.001238245 0.005458613 0.000193843 0.000121852 0.000797872 0.000106557 0.000255403 0.0000625 4.2508E-05 5.92992E-05 7.07214E-05 9.62199E-05 4.18799E-05 0.000183438 9.97921E-05 5.89391E-05 5.80383E-05 5.19211E-05 5.49954E-05 8.3151E-05 5.70342E-05 8.61605E-05 Phosphatidylcholine acyl-alkyl C38:0 0.032569832 0.070219436 0.060569106 0.006095552 0.001170507 0.002990264 0.003887147 0.015704698 0.001539339 0.001031682 0.00358156 0.000877049 0.00108055 0.001036458 0.001009564 0.000959569 0.000848656 0.001024055 0.000912052 0.002227463 0.000948025 0.00140799 0.000887986 0.000856698 0.000989918 0.001221007 0.001311787 0.00091007 Phosphatidylcholine acyl-alkyl C38:1 0.003631285 0.00661442 0.005650407 0.000642504 9.21659E-05 0.000250348 0.00039185 0.001588367 0.000125428 8.12348E-05 0.00035461 7.37705E-05 0.000111329 0.0000625 6.90755E-05 3.77358E-05 5.65771E-05 8.93471E-05 4.18799E-05 0.000125786 9.56341E-05 9.82318E-05 5.22345E-05 5.19211E-05 6.41613E-05 0.000100656 6.97085E-05 0.000253096 Phosphatidylcholine acyl-alkyl C38:2 0.003910615 0.010250784 0.007764228 0.001186161 0.000119816 0.000556328 0.000752351 0.003288591 0.000159635 9.74817E-05 0.000992908 9.83607E-05 0.000301244 0.0000625 6.90755E-05 8.62534E-05 7.07214E-05 0.000109966 3.72266E-05 0.000361635 0.000162162 0.000117878 6.9646E-05 4.15369E-05 0.000100825 0.000293217 9.5057E-05 0.000312332 Phosphatidylcholine acyl-alkyl C38:3 0.005530726 0.014670846 0.010691057 0.001795717 0.000221198 0.000653686 0.001128527 0.004832215 0.000262258 0.000121852 0.000939716 0.000163934 0.000314342 0.000109375 6.90755E-05 8.62534E-05 0.000106082 0.000158076 6.97999E-05 0.000372117 0.00018711 0.000150622 0.000145096 7.78816E-05 0.000132906 0.000218818 0.000158428 0.000258481 Phosphatidylcholine acyl-alkyl C38:4 0.028659218 0.062695925 0.049593496 0.006507414 0.000617512 0.002378303 0.003683386 0.016353468 0.000684151 0.000341186 0.002978723 0.000336066 0.001054355 0.00071875 0.000541977 0.000824798 0.000700141 0.00057732 0.000400186 0.001362683 0.000540541 0.000471513 0.000539756 0.000192108 0.000261228 0.000516411 0.000380228 0.000355412 Phosphatidylcholine acyl-alkyl C38:5 0.069273743 0.154545455 0.121544715 0.010164745 0.000995392 0.003755216 0.005454545 0.022595078 0.000889396 0.000601137 0.003031915 0.000647541 0.001060904 0.000291667 0.000435707 0.000442049 0.000445545 0.000487973 0.000302466 0.000969602 0.000523909 0.000550098 0.00039466 0.000462098 0.000398717 0.000485777 0.000716096 0.000468498 Phosphatidylcholine acyl-alkyl C38:6 0.029217877 0.051410658 0.040650407 0.004629325 0.000423963 0.001641168 0.002507837 0.010380313 0.000444698 0.00021121 0.001826241 0.000213115 0.000569745 0.000145833 0.00010627 0.000150943 0.000176803 0.000206186 0.000102373 0.000419287 0.000174636 0.000176817 0.000168311 0.000124611 0.000142071 0.000188184 0.000240811 0.000172321 Phosphatidylcholine acyl-alkyl C40:1 0.105586592 0.182445141 0.165447154 0.011598023 0.001751152 0.005257302 0.007288401 0.035346756 0.002063854 0.001251015 0.005833333 0.001221311 0.001853307 0.000807292 0.000611052 0.000770889 0.000947666 0.001752577 0.000590973 0.001640461 0.000711019 0.000929928 0.000679048 0.000680166 0.000737855 0.001221007 0.001375158 0.000926225 Phosphatidylcholine acyl-alkyl C40:2 0.010223464 0.013730408 0.013495935 0.001103789 0.000267281 0.000611961 0.000721003 0.003042506 0.000421893 0.000219334 0.000833333 0.000262295 0.000255403 0.000119792 0.00012221 0.000123989 0.000155587 0.000233677 0.000107027 0.000214885 0.000112266 0.000203012 0.000127684 0.000140187 0.000132906 0.00019256 0.000234474 0.000204631 Phosphatidylcholine acyl-alkyl C40:3 0.002569832 0.004796238 0.003861789 0.000741351 0.000165899 0.000375522 0.000564263 0.001991051 0.00018244 0.000113729 0.000514184 0.000122951 0.000176817 0.0000625 7.97024E-05 8.08625E-05 0.000106082 0.00014433 6.04933E-05 0.000162474 9.14761E-05 0.000111329 9.86651E-05 7.26895E-05 6.87443E-05 9.62801E-05 0.000145754 0.000145396 Phosphatidylcholine acyl-alkyl C40:4 0.006256983 0.010909091 0.009471545 0.001927512 0.000488479 0.001098748 0.001426332 0.004653244 0.000706956 0.000414297 0.001595745 0.000483607 0.000523903 0.00025 0.000260361 0.000253369 0.000282885 0.000350515 0.00019544 0.000450734 0.000295218 0.000406025 0.000319211 0.000254413 0.00027956 0.000363239 0.000316857 0.000280022 Phosphatidylcholine acyl-alkyl C40:5 0.010949721 0.02338558 0.019146341 0.00247117 0.000285714 0.001057024 0.001551724 0.006219239 0.000433295 0.000227457 0.001134752 0.000213115 0.000360183 0.000177083 0.000138151 0.000150943 0.000190948 0.000247423 0.000102373 0.000330189 0.00016632 0.000196464 0.000191526 0.000114226 0.000105408 0.00019256 0.000152091 0.000166936 Phosphatidylcholine acyl-alkyl C40:6 0.021787709 0.042633229 0.03695122 0.00476112 0.000488479 0.001933241 0.002633229 0.010693512 0.000524515 0.000235581 0.002198582 0.000229508 0.000667976 0.000161458 0.000143464 0.000177898 0.000183876 0.00024055 0.000116333 0.00067086 0.00024948 0.000222659 0.000203134 0.000145379 0.000164986 0.000262582 0.00026616 0.000193861 Phosphatidylcholine acyl-alkyl C42:0 0.020446927 0.019467085 0.018577236 0.007133443 0.002940092 0.004979138 0.005956113 0.010917226 0.00368301 0.002485784 0.006507092 0.002696721 0.002351015 0.001723958 0.00164187 0.001681941 0.002256011 0.002274914 0.001465798 0.001839623 0.001363825 0.002134905 0.001804991 0.001614746 0.00152154 0.00150547 0.002008872 0.00177706 Phosphatidylcholine acyl-alkyl C42:1 0.011452514 0.022319749 0.019634146 0.003953871 0.000654378 0.001961057 0.002492163 0.010425056 0.000729761 0.000414297 0.00214539 0.000459016 0.000674525 0.000244792 0.000265675 0.00025876 0.000374823 0.000343643 0.000218706 0.000398323 0.000237006 0.000307793 0.000290192 0.000218069 0.000238313 0.000284464 0.000342205 0.000280022 Phosphatidylcholine acyl-alkyl C42:2 0.011787709 0.020721003 0.019471545 0.001630972 0.000230415 0.000737135 0.000909091 0.00557047 0.000250855 0.000170593 0.000620567 0.000188525 0.000196464 8.85417E-05 0.000100956 0.000102426 0.000120226 0.000151203 7.44532E-05 0.000172956 0.00010395 0.000137525 9.86651E-05 9.86501E-05 9.6242E-05 0.000135667 0.000145754 0.000145396 Phosphatidylcholine acyl-alkyl C42:3 0.058659218 0.07523511 0.07195122 0.004744646 0.000921659 0.002294854 0.002868339 0.01442953 0.000866591 0.00039805 0.001755319 0.000491803 0.000602489 0.000338542 0.000329437 0.000296496 0.00039604 0.0004811 0.000274546 0.000461216 0.000253638 0.000406025 0.000342426 0.00029595 0.000274977 0.000376368 0.000481622 0.000350027 Phosphatidylcholine acyl-alkyl C42:4 0.001452514 0.002884013 0.002398374 0 0 0 0 0.000223714 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Phosphatidylcholine acyl-alkyl C42:5 0.019162011 0.01476489 0.015813008 0.005650741 0.002921659 0.004311544 0.00523511 0.008389262 0.00354618 0.002534525 0.005904255 0.002483607 0.002148003 0.001546875 0.001753454 0.001773585 0.002298444 0.002171821 0.001479758 0.001781971 0.001247401 0.002023576 0.001804991 0.001666667 0.001507791 0.001396061 0.002160963 0.00173398 Phosphatidylcholine acyl-alkyl C44:3 0.007150838 0.007931034 0.008089431 0.001186161 0.00040553 0.000709318 0.000877743 0.002371365 0.000444698 0.000243704 0.000797872 0.000360656 0.000314342 0.000234375 0.000239107 0.00019407 0.000212164 0.00024055 0.000176826 0.000214885 0.000128898 0.000242305 0.000220546 0.00017134 0.000183318 0.000153173 0.000259823 0.000210016 Phosphatidylcholine acyl-alkyl C44:4 0.012960894 0.012978056 0.013780488 0.001334432 0.000571429 0.001057024 0.001065831 0.003221477 0.000627138 0.000503656 0.001152482 0.000491803 0.000406025 0.0003125 0.000393199 0.000350404 0.000452617 0.000391753 0.000288506 0.000366876 0.00024948 0.000445318 0.000313407 0.00036864 0.00027956 0.000271335 0.000462611 0.000355412 Phosphatidylcholine acyl-alkyl C44:5 0.05122905 0.052664577 0.047154472 0.002158155 0.000534562 0.00108484 0.001253918 0.007472036 0.000604333 0.00039805 0.001117021 0.00047541 0.000386379 0.000270833 0.000270988 0.000269542 0.000346535 0.000329897 0.000241973 0.000351153 0.000178794 0.000340537 0.000284388 0.000244029 0.000233731 0.000258206 0.000424588 0.000328487 Phosphatidylcholine acyl-alkyl C44:6 0.002346369 0.003260188 0.003536585 0.000543657 0.000184332 0.000375522 0.000423197 0.001073826 0.000205245 0.000138099 0.000460993 0.000131148 0.000183366 0.000114583 0.00010627 0.000118598 0.000134371 0.000130584 8.84132E-05 0.000272537 0.000112266 0.000144073 0.000116077 0.000103842 9.6242E-05 0.000100656 0.00013308 0.000118471 Hydroxysphingomyeline C14:1 0.003910615 0.006739812 0.005691057 0.000477759 8.29493E-05 0.000222531 0.000329154 0.001655481 7.98176E-05 4.87409E-05 0.000390071 4.09836E-05 0.000117878 0 0 0 7.07214E-06 6.87285E-05 0 7.33753E-05 4.5738E-05 3.27439E-05 0 0 2.29148E-05 2.62582E-05 3.16857E-05 3.23102E-05 Hydroxysphingomyeline C16:1 0.005977654 0.009404389 0.008455285 0.000345964 2.76498E-05 0.000111266 0.000188088 0.000760626 6.84151E-05 2.43704E-05 0.000212766 0 6.54879E-05 1.04167E-05 1.59405E-05 1.61725E-05 7.07214E-06 2.06186E-05 1.396E-05 6.81342E-05 2.079E-05 1.30976E-05 1.74115E-05 1.55763E-05 1.37489E-05 2.62582E-05 6.33714E-06 1.07701E-05 Hydroxysphingomyeline C22:1 0.009329609 0.022758621 0.015934959 0.00276771 0.000239631 0.001057024 0.001520376 0.006308725 0.000307868 0.000113729 0.002234043 0.000147541 0.000556647 0.000104167 8.50159E-05 0.000242588 0.000134371 0.000116838 0.000102373 0.001530398 0.000723493 0.000288147 0.000139292 9.86501E-05 0.000224565 0.000459519 0.00017744 0.000274637 Hydroxysphingomyeline C22:2 0.004636872 0.007774295 0.006788618 0.000609555 4.60829E-05 0.000222531 0.000329154 0.001834452 9.12201E-05 4.06174E-05 0.000407801 3.27869E-05 0.000170269 0.000046875 4.2508E-05 7.00809E-05 4.9505E-05 5.49828E-05 2.32666E-05 0.000262055 0.000137214 5.23903E-05 3.4823E-05 4.15369E-05 5.95784E-05 0.000140044 1.26743E-05 0.000102316 Hydroxysphingomyeline C24:1 0.003463687 0.00677116 0.00597561 0.000856672 8.29493E-05 0.000319889 0.000501567 0.001991051 7.98176E-05 5.68643E-05 0.000478723 1.63934E-05 0.000157171 3.64583E-05 2.65675E-05 6.469E-05 7.07214E-06 5.49828E-05 2.32666E-05 0.000167715 8.73181E-05 3.92927E-05 4.64306E-05 4.15369E-05 2.74977E-05 5.25164E-05 4.43599E-05 3.23102E-05 Sphingomyeline C16:0 0.510614525 0.943573668 0.776422764 0.060790774 0.003824885 0.020723227 0.031974922 0.153691275 0.003420753 0.000901706 0.01572695 0.00104918 0.006201703 0.00046875 0.000340064 0.001024259 0.00039604 0.000728522 0.000372266 0.003957023 0.001933472 0.000857891 0.000609402 0.000223261 0.000527039 0.000967177 0.000329531 0.000958535 Sphingomyeline C16:1 0.01849162 0.03354232 0.026382114 0.001762768 0.000184332 0.00069541 0.001034483 0.004496644 0.000205245 9.74817E-05 0.000656028 0.000131148 0.000229208 6.77083E-05 5.84485E-05 7.54717E-05 9.19378E-05 0.000109966 3.25733E-05 0.000120545 5.82121E-05 7.20367E-05 6.9646E-05 4.6729E-05 5.49954E-05 5.68928E-05 6.33714E-05 0.000118471 Sphingomyeline C18:0 0.068156425 0.140438871 0.132113821 0.004596376 0.000331797 0.001251739 0.002366771 0.00738255 0.000535918 0.000178716 0.002624113 0.000139344 0.000903733 0.00009375 8.50159E-05 0.00038814 6.36492E-05 0.000164948 9.30665E-05 0.001132075 0.00047817 0.000235756 0.000104469 3.11526E-05 8.70761E-05 0.000183807 9.5057E-05 0.000231556 Sphingomyeline C18:1 0.007150838 0.012758621 0.011382114 0.000477759 4.60829E-05 0.000180807 0.000297806 0.000939597 6.84151E-05 4.06174E-05 0.000248227 8.19672E-06 7.20367E-05 0.000015625 5.3135E-06 1.07817E-05 2.12164E-05 2.74914E-05 1.396E-05 7.86164E-05 2.4948E-05 2.61952E-05 5.80383E-06 2.07684E-05 1.37489E-05 2.18818E-05 1.90114E-05 7.53904E-05 Sphingomyeline C20:2 0 0 0.000406504 0.000280066 9.21659E-06 0 4.70219E-05 0 0 0 0 8.19672E-06 1.96464E-05 0 3.1881E-05 3.2345E-05 3.53607E-05 0 9.30665E-06 0 0 3.92927E-05 2.32153E-05 3.11526E-05 4.58295E-06 3.06346E-05 3.80228E-05 1.61551E-05 Sphingomyeline C22:3 0.001452514 0 0 0.000477759 0.000211982 0.000222531 0.000454545 0.000290828 0.000193843 0.000170593 0.000531915 0.000139344 0.000117878 0 9.03294E-05 0.000123989 0.000113154 0.00014433 4.18799E-05 6.28931E-05 9.56341E-05 0.000104781 0.00012188 9.86501E-05 5.95784E-05 7.43982E-05 0.000215463 0.000102316 Sphingomyeline C24:0 0.118994413 0.284952978 0.209756098 0.015980231 0.001059908 0.005132128 0.009545455 0.040268456 0.000866591 0.000276198 0.008599291 0.000344262 0.002134905 0.000192708 0.000170032 0.000371968 0.000247525 0.000309278 0.000186133 0.003039832 0.001297297 0.000471513 0.000232153 0.000212876 0.000549954 0.001527352 0.000196451 0.000490038 Sphingomyeline C24:1 0.264804469 0.479623824 0.426829268 0.03970346 0.002368664 0.014742698 0.02492163 0.116107383 0.001767389 0.000528026 0.015088652 0.000704918 0.005140799 0.000276042 0.000255048 0.000781671 0.000381895 0.000604811 0.000288506 0.006813417 0.002723493 0.001106745 0.000510737 0.000176532 0.000774519 0.001702407 0.000215463 0.000958535 Sphingomyeline C26:0 0.001340782 0.002382445 0.001504065 0.000247117 6.45161E-05 0.000180807 0.00023511 0.000514541 5.70125E-05 5.68643E-05 0.000159574 4.09836E-05 5.23903E-05 2.60417E-05 4.2508E-05 2.69542E-05 5.65771E-05 4.811E-05 1.396E-05 4.71698E-05 3.3264E-05 3.92927E-05 2.32153E-05 1.55763E-05 1.37489E-05 2.18818E-05 3.80228E-05 2.69251E-05 Sphingomyeline C26:1 0.002346369 0.004388715 0.004105691 0.000411862 2.76498E-05 0.000139082 0.000250784 0.001051454 1.14025E-05 1.6247E-05 0.000124113 4.91803E-05 6.54879E-05 2.08333E-05 5.3135E-06 1.61725E-05 2.12164E-05 1.37457E-05 4.65333E-06 2.09644E-05 8.31601E-06 6.54879E-06 5.80383E-06 5.19211E-06 4.58295E-06 2.62582E-05 3.16857E-05 1.07701E-05 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name MeTIQ short name KEGG Carnitine C0 C00318 Decanoylcarnitine C10 C03299 Decenoylcarnitine C10:1 C02301 Decadienylcarnitine C10:2 C02301 Dodecanoylcarnitine C12 - Dedecanedioylcarnitine C12-DC C02301 Dodecenoylcarnitine C12:1 C02301 Tetradecanoylcarnitine C14 - Tetradecenoylcarnitine C14:1 C02301 Hydroxytetradecenoylcarnitine C14:1-OH C02301 Tetradecadienoylcarnitine C14:2 C02301 Hydroxytetradecadienoylcarnitine C14:2-OH C02301 Hexadecanoylcarnitine C16 C02990 Hydroxyhexadecanoylcarnitine C16-OH C02301 Hexadecenoylcarnitine C16:1 - Hydroxyhexadecenoylcarnitine C16:1-OH C02301 Hexadecadienylcarnitine C16:2 C02301 Hydroxyhexadecadienylcarnitine C16:2-OH C02301 Octadecanoylcarnitine C18 - Octadecenoylcarnitine C18:1 - Hydroxyoctadecenoylcarnitine C18:1-OH C02301 Octadecadienylcarnitine C18:2 - Acetylcarnitine C2 C02571 Propionylcarnitine C3 C03017 Hydroxypropionylcarnitine C3-OH C02301 Propenoylcarnitine C3:1 C02301 Butyrylcarnitine C4 C02862 Hydroxybutyrylcarnitine C3-DC (C4-OH) - Butenylcarnitine C4:1 C02301 Valerylcarnitine C5 - Methylglutarylcarnitine C5-M-DC - Hydroxyvalerylcarnitine (Methylmalonylcarnitine) C5-OH (C3-DC-M) C02301 Tiglylcarnitine C5:1 - Glutaconylcarnitine C5:1-DC C02301 Hexanoylcarnitine (Fumarylcarnitine) C6 (C4:1-DC) - Glutarylcarnitine (Hydroxyhexanoylcarnitine) C5-DC (C6-OH) - Hexenoylcarnitine C6:1 C02301 Pimelylcarnitine C7-DC C02301 Octanoylcarnitine C8 C02838 Nonaylcarnitine C9 - lysoPhosphatidylcholine acyl C14:0 lysoPC a C14:0 C04230 lysoPhosphatidylcholine acyl C16:0 lysoPC a C16:0 C04230 lysoPhosphatidylcholine acyl C16:1 lysoPC a C16:1 C04230 lysoPhosphatidylcholine acyl C17:0 lysoPC a C17:0 C04230 lysoPhosphatidylcholine acyl C18:0 lysoPC a C18:0 C04230 lysoPhosphatidylcholine acyl C18:1 lysoPC a C18:1 C03916 lysoPhosphatidylcholine acyl C18:2 lysoPC a C18:2 C04230 lysoPhosphatidylcholine acyl C20:3 lysoPC a C20:3 C04230 lysoPhosphatidylcholine acyl C20:4 lysoPC a C20:4 C04230 lysoPhosphatidylcholine acyl C24:0 lysoPC a C24:0 C04230 lysoPhosphatidylcholine acyl C26:0 lysoPC a C26:0 C04230 lysoPhosphatidylcholine acyl C26:1 lysoPC a C26:1 C04230 lysoPhosphatidylcholine acyl C28:0 lysoPC a C28:0 C04230 lysoPhosphatidylcholine acyl C28:1 lysoPC a C28:1 C04230 Phosphatidylcholine Diacyl C24:0 PC aa C24:0 C00157 Phosphatidylcholine Diacyl C26:0 PC aa C26:0 C00157 Phosphatidylcholine Diacyl C28:1 PC aa C28:1 C00157 Phosphatidylcholine Diacyl C30:0 PC aa C30:0 C00157 Phosphatidylcholine Diacyl C30:2 PC aa C30:2 C00157 Phosphatidylcholine Diacyl C32:0 PC aa C32:0 C00157 Phosphatidylcholine Diacyl C32:1 PC aa C32:1 C00157 Phosphatidylcholine Diacyl C32:2 PC aa C32:2 C00157 Phosphatidylcholine Diacyl C32:3 PC aa C32:3 C00157 Phosphatidylcholine Diacyl C34:1 PC aa C34:1 C00157 Phosphatidylcholine Diacyl C34:2 PC aa C34:2 C00157 Phosphatidylcholine Diacyl C34:3 PC aa C34:3 C00157 Phosphatidylcholine Diacyl C34:4 PC aa C34:4 C00157 Phosphatidylcholine Diacyl C36:0 PC aa C36:0 C00157 Phosphatidylcholine Diacyl C36:1 PC aa C36:1 C00157 Phosphatidylcholine Diacyl C36:2 PC aa C36:2 C00157 Phosphatidylcholine Diacyl C36:3 PC aa C36:3 C00157 Phosphatidylcholine Diacyl C36:4 PC aa C36:4 C00157 Phosphatidylcholine Diacyl C36:5 PC aa C36:5 C00157 Phosphatidylcholine Diacyl C36:6 PC aa C36:6 C00157 Phosphatidylcholine Diacyl C38:0 PC aa C38:0 C00157 Phosphatidylcholine Diacyl C38:1 PC aa C38:1 C00157 Phosphatidylcholine Diacyl C38:3 PC aa C38:3 C00157 Phosphatidylcholine Diacyl C38:4 PC aa C38:4 C00157 Phosphatidylcholine Diacyl C38:5 PC aa C38:5 C00157 Phosphatidylcholine Diacyl C38:6 PC aa C38:6 C00157 Phosphatidylcholine Diacyl C40:1 PC aa C40:1 C00157 Phosphatidylcholine Diacyl C40:2 PC aa C40:2 C00157 Phosphatidylcholine Diacyl C40:3 PC aa C40:3 C00157 Phosphatidylcholine Diacyl C40:4 PC aa C40:4 C00157 Phosphatidylcholine Diacyl C40:5 PC aa C40:5 - Phosphatidylcholine Diacyl C40:6 PC aa C40:6 C00157 Phosphatidylcholine Diacyl C42:0 PC aa C42:0 C00157 Phosphatidylcholine Diacyl C42:1 PC aa C42:1 C00157 Phosphatidylcholine Diacyl C42:2 PC aa C42:2 C00157 Phosphatidylcholine Diacyl C42:4 PC aa C42:4 C00157 Phosphatidylcholine Diacyl C42:5 PC aa C42:5 C00157 Phosphatidylcholine Diacyl C42:6 PC aa C42:6 C00157 Phosphatidylcholine acyl-alkyl C30:0 PC ae C30:0 - Phosphatidylcholine acyl-alkyl C30:1 PC ae C30:1 - Phosphatidylcholine acyl-alkyl C30:2 PC ae C30:2 - Phosphatidylcholine acyl-alkyl C32:1 PC ae C32:1 - Phosphatidylcholine acyl-alkyl C32:2 PC ae C32:2 - Phosphatidylcholine acyl-alkyl C34:0 PC ae C34:0 - Phosphatidylcholine acyl-alkyl C34:1 PC ae C34:1 - Phosphatidylcholine acyl-alkyl C34:2 PC ae C34:2 - Phosphatidylcholine acyl-alkyl C34:3 PC ae C34:3 - Phosphatidylcholine acyl-alkyl C36:0 PC ae C36:0 - Phosphatidylcholine acyl-alkyl C36:1 PC ae C36:1 - Phosphatidylcholine acyl-alkyl C36:2 PC ae C36:2 - Phosphatidylcholine acyl-alkyl C36:3 PC ae C36:3 - Phosphatidylcholine acyl-alkyl C36:4 PC ae C36:4 - Phosphatidylcholine acyl-alkyl C36:5 PC ae C36:5 - Phosphatidylcholine acyl-alkyl C38:0 PC ae C38:0 - Phosphatidylcholine acyl-alkyl C38:1 PC ae C38:1 - Phosphatidylcholine acyl-alkyl C38:2 PC ae C38:2 - Phosphatidylcholine acyl-alkyl C38:3 PC ae C38:3 - Phosphatidylcholine acyl-alkyl C38:4 PC ae C38:4 - Phosphatidylcholine acyl-alkyl C38:5 PC ae C38:5 - Phosphatidylcholine acyl-alkyl C38:6 PC ae C38:6 - Phosphatidylcholine acyl-alkyl C40:1 PC ae C40:1 - Phosphatidylcholine acyl-alkyl C40:2 PC ae C40:2 - Phosphatidylcholine acyl-alkyl C40:3 PC ae C40:3 - Phosphatidylcholine acyl-alkyl C40:4 PC ae C40:4 - Phosphatidylcholine acyl-alkyl C40:5 PC ae C40:5 - Phosphatidylcholine acyl-alkyl C40:6 PC ae C40:6 - Phosphatidylcholine acyl-alkyl C42:0 PC ae C42:0 - Phosphatidylcholine acyl-alkyl C42:1 PC ae C42:1 - Phosphatidylcholine acyl-alkyl C42:2 PC ae C42:2 - Phosphatidylcholine acyl-alkyl C42:3 PC ae C42:3 - Phosphatidylcholine acyl-alkyl C42:4 PC ae C42:4 - Phosphatidylcholine acyl-alkyl C42:5 PC ae C42:5 - Phosphatidylcholine acyl-alkyl C44:3 PC ae C44:3 - Phosphatidylcholine acyl-alkyl C44:4 PC ae C44:4 - Phosphatidylcholine acyl-alkyl C44:5 PC ae C44:5 - Phosphatidylcholine acyl-alkyl C44:6 PC ae C44:6 - Hydroxysphingomyeline C14:1 SM (OH) C14:1 - Hydroxysphingomyeline C16:1 SM (OH) C16:1 C00550 Hydroxysphingomyeline C22:1 SM (OH) C22:1 C00550 Hydroxysphingomyeline C22:2 SM (OH) C22:2 C00550 Hydroxysphingomyeline C24:1 SM (OH) C24:1 C00550 Sphingomyeline C16:0 SM C16:0 - Sphingomyeline C16:1 SM C16:1 C00550 Sphingomyeline C18:0 SM C18:0 C00550 Sphingomyeline C18:1 SM C18:1 C00550 Sphingomyeline C20:2 SM C20:2 C00550 Sphingomyeline C22:3 SM C22:3 C00550 Sphingomyeline C24:0 SM C24:0 C00550 Sphingomyeline C24:1 SM C24:1 C00550 Sphingomyeline C26:0 SM C26:0 C00550 Sphingomyeline C26:1 SM C26:1 C00550 METABOLITES_END #END