#METABOLOMICS WORKBENCH amroilaiwy_20160324_093915 DATATRACK_ID:668 STUDY_ID:ST000427 ANALYSIS_ID:AN000677 PROJECT_ID:PR000332 VERSION 1 CREATED_ON July 25, 2016, 2:02 pm #PROJECT PR:PROJECT_TITLE Lung injury-induced skeletal muscle wasting in aged mice is linked to PR:PROJECT_TITLE alterations in long chain fatty acid metabolism PR:PROJECT_TYPE Metabolomics PR:PROJECT_SUMMARY Non targeted and targeted metabolomic analysis on gastrocnemius tissue samples PR:PROJECT_SUMMARY obtained from skeletal muscle of adult and old mice after inducing lung injury PR:INSTITUTE University of North Carolina PR:DEPARTMENT McAllister Heart Institute, Department of Internal Medicine PR:LABORATORY Multiple Centers PR:LAST_NAME Willis, Ilaiwy PR:FIRST_NAME Monte, Amro PR:ADDRESS 111 Mason Farm road, Chapel Hill, North Carolina, 27599-7126, USA PR:EMAIL monte_willis@med.unc.edu, amroilaiwy@gmail.com PR:PHONE 210-596-0171 PR:FUNDING_SOURCE NIH, Fondation Leducq, Claude D. Pepper Older Americans Independence Center, the PR:FUNDING_SOURCE American Thoracic Society Foundation #STUDY ST:STUDY_TITLE targeted metabolomics of gastrocnemius tissue samples obtained from 6 month old ST:STUDY_TITLE (adult) mice- Both Sham and after inducing lung injury ST:STUDY_TYPE targeted metabolomic analysis ST:STUDY_SUMMARY Introduction: Older patients are more likely to acquire and die from acute ST:STUDY_SUMMARY respiratory distress syndrome (ARDS) and muscle weakness may be more significant ST:STUDY_SUMMARY in older survivors. Recent data implicate muscle ring finger protein 1 (MuRF1) ST:STUDY_SUMMARY in lung injury-induced skeletal muscle atrophy in young mice and identify an ST:STUDY_SUMMARY alternative role for MuRF1 in cardiac metabolism regulation through inhibition ST:STUDY_SUMMARY of fatty acid oxidation. Objectives: To develop a model of lung injury-induced ST:STUDY_SUMMARY muscle wasting in old mice and to evaluate the skeletal muscle metabolomic ST:STUDY_SUMMARY profile of adult and old acute lung injury (ALI) mice. Methods: Young (2 month), ST:STUDY_SUMMARY adult (6 month) and old (20 month) male C57Bl6J mice underwent Sham ST:STUDY_SUMMARY (intratracheal H2O) or ALI [intratracheal E. coli lipopolysaccharide (i.t. LPS)] ST:STUDY_SUMMARY conditions and muscle functional testing. Metabolomic analysis on gastrocnemius ST:STUDY_SUMMARY muscle was performed using gas chromatography-mass spectrometry (GC-MS). ST:STUDY_SUMMARY Results: Old ALI mice had increased mortality and failed to recover skeletal ST:STUDY_SUMMARY muscle function compared to adult ALI mice. Muscle MuRF1 expression was ST:STUDY_SUMMARY increased in old ALI mice at day 3. Non-targeted muscle metabolomics revealed ST:STUDY_SUMMARY alterations in amino acid biosynthesis and fatty acid metabolism in old ALI ST:STUDY_SUMMARY mice. Targeted metabolomics of fatty acid intermediates (acyl-carnitines) and ST:STUDY_SUMMARY amino acids revealed a reduction in long chain acyl-carnitines in old ALI mice. ST:STUDY_SUMMARY Conclusion: This study demonstrates age-associated susceptibility to ALI-induced ST:STUDY_SUMMARY muscle wasting which parallels a metabolomic profile suggestive of altered ST:STUDY_SUMMARY muscle fatty acid metabolism. MuRF1 activation may contribute to both atrophy ST:STUDY_SUMMARY and impaired fatty acid oxidation, which may synergistically impair muscle ST:STUDY_SUMMARY function in old ALI mice. ST:INSTITUTE University of North Carolina, Duke University ST:DEPARTMENT UNC McAllister Heart Institute, Duke Molecular Physiology Institute ST:LABORATORY Multiple Centers ST:LAST_NAME Willis, Ilaiwy ST:FIRST_NAME Monte, Amro ST:ADDRESS 111 Mason Farm road, Chapel Hill, North Carolina, 27599-7126, USA ST:EMAIL monte_willis@med.unc.edu, amroilaiwy@gmail.com ST:PHONE 210-596-0171 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - M10 Group:Sham 6mth SUBJECT_SAMPLE_FACTORS - M11 Group:Sham 6mth SUBJECT_SAMPLE_FACTORS - M12 Group:Sham 6mth SUBJECT_SAMPLE_FACTORS - M28 Group:Sham 6mth SUBJECT_SAMPLE_FACTORS - M29 Group:Sham 6mth SUBJECT_SAMPLE_FACTORS - M30 Group:Sham 6mth SUBJECT_SAMPLE_FACTORS - M53 Group:Sham 6mth SUBJECT_SAMPLE_FACTORS - M54 Group:Sham 6mth SUBJECT_SAMPLE_FACTORS - M55 Group:Sham 6mth SUBJECT_SAMPLE_FACTORS - M9 Group:Sham 6mth SUBJECT_SAMPLE_FACTORS - M35 Group:ALI 6mth SUBJECT_SAMPLE_FACTORS - M36 Group:ALI 6mth SUBJECT_SAMPLE_FACTORS - M37 Group:ALI 6mth SUBJECT_SAMPLE_FACTORS - M38 Group:ALI 6mth SUBJECT_SAMPLE_FACTORS - M39 Group:ALI 6mth SUBJECT_SAMPLE_FACTORS - M62 Group:ALI 6mth SUBJECT_SAMPLE_FACTORS - M63 Group:ALI 6mth SUBJECT_SAMPLE_FACTORS - M64 Group:ALI 6mth SUBJECT_SAMPLE_FACTORS - M65 Group:ALI 6mth SUBJECT_SAMPLE_FACTORS - M66 Group:ALI 6mth #COLLECTION CO:COLLECTION_SUMMARY Gastrocnemius tissue was harvested and then flash frozen in a liquid nitrogen CO:COLLECTION_SUMMARY cooled biopress #TREATMENT TR:TREATMENT_SUMMARY Treatment Summary Fraction of gastrocnemius tissue weighed (25–50 mg wet TR:TREATMENT_SUMMARY weight), then the finely cut up tissue quickly added to fresh pre-made buffer TR:TREATMENT_SUMMARY (50 % acetyl-nitrile, 50 % water, 0.3% formic acid) at a standard concentration TR:TREATMENT_SUMMARY of 25 mg/475 mcl buffer then fully homogenized on ice for 10–25 s and placed TR:TREATMENT_SUMMARY on dry ice/stored at - 80C #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Amino acids and acyl-carnitines were analyzed using stable isotope dilution SP:SAMPLEPREP_SUMMARY techniques. Amino acids and acyl-carnitine measurements were made by flow SP:SAMPLEPREP_SUMMARY injection tandem mass spectrometry #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME ACQUITY UPLC 1.7 µm column #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 5975 MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uM MS_METABOLITE_DATA_START Samples M10 M11 M12 M28 M29 M30 M53 M54 M55 M9 M35 M36 M37 M38 M39 M62 M63 M64 M65 M66 Factors Group:Sham 6mth Group:Sham 6mth Group:Sham 6mth Group:Sham 6mth Group:Sham 6mth Group:Sham 6mth Group:Sham 6mth Group:Sham 6mth Group:Sham 6mth Group:Sham 6mth Group:ALI 6mth Group:ALI 6mth Group:ALI 6mth Group:ALI 6mth Group:ALI 6mth Group:ALI 6mth Group:ALI 6mth Group:ALI 6mth Group:ALI 6mth Group:ALI 6mth C2 4.649072 3.502877 4.515236 2.791278 4.583683 2.788377 1.976420 6.620396 3.776273 3.620405 4.854178 3.510717 3.748361 6.321518 4.944735 5.795424 4.388220 3.420082 5.087510 4.440438 C3 0.048495 0.022530 0.025924 0.025169 0.033716 0.026667 0.021671 0.031360 0.015900 0.015659 0.029160 0.025285 0.022855 0.059399 0.017429 0.040566 0.015973 0.021828 0.016046 0.025704 C4/Ci4 0.130543 0.182655 0.225392 0.105265 0.129443 0.090374 0.013175 0.170610 0.071830 0.089684 0.172825 0.111075 0.069335 0.160648 0.101010 0.112850 0.129663 0.043397 0.107436 0.050043 C5:1 0.038443 0.035046 0.045051 0.037475 0.029576 0.027435 0.032243 0.037509 0.050589 0.021252 0.048976 0.018975 0.090799 0.054768 0.028913 0.044321 0.041875 0.031801 0.025787 0.015204 C5 0.037781 0.024190 0.026518 0.032260 0.038868 0.045000 0.012775 0.019213 0.008392 0.012537 0.022203 0.011229 0.010872 0.014575 0.014779 0.024021 0.018075 0.017650 0.013539 0.012877 C4-OH 0.104984 0.062905 0.125641 0.078874 0.053885 0.023851 0.009819 0.035182 0.026416 0.033975 0.167159 0.058879 0.038511 0.185964 0.043522 0.046563 0.053053 0.043285 0.026569 0.036150 C5-OH/C3-DC 0.042727 0.039977 0.048560 0.047970 0.045073 0.036772 0.036236 0.047943 0.060791 0.033419 0.050424 0.039468 0.043799 0.044202 0.042217 0.051725 0.037107 0.036330 0.056405 0.048989 C5-DC 0.005912 0.001807 0.004364 0.004892 0.005236 0.003257 0.003466 0.001635 0.003847 0.000381 0.001155 0.001549 0.003184 0.011407 0.000565 0.002606 0.004425 0.001180 C4-DC/Ci4-DC 0.023121 0.068109 0.075361 0.019581 0.042911 0.018954 0.018807 0.073137 0.057170 0.015389 0.034159 0.026034 0.026931 0.020048 0.025825 0.050532 0.034614 0.042874 0.071354 0.038301 C6 0.015583 0.047192 0.036437 0.041546 0.017783 0.036383 0.008127 0.030000 0.016026 0.016160 0.034613 0.023348 0.018681 0.049365 0.015597 0.018601 0.017756 0.026164 0.027707 0.011600 C8:1 0.001930 0.003983 0.006158 0.003651 0.001942 0.001623 0.003122 0.004019 0.003282 0.003048 0.004130 0.002471 0.003073 0.005359 0.002262 0.000688 C8 0.010719 0.017995 0.006490 0.017258 0.017442 0.016975 0.008395 0.019016 0.004437 0.009182 0.015230 0.012120 0.003700 0.016975 0.019409 0.009231 0.009489 0.009452 0.014996 0.004757 C8:1-OH/C6:1-DC 0.001602 0.003273 0.003891 0.006969 0.002129 0.004555 0.001522 0.004211 0.003570 0.001430 0.001797 0.001385 0.002827 0.003479 0.004154 0.002048 0.001350 0.002060 0.002746 0.001842 C6-DC/C8-OH 0.007450 0.004761 0.003731 0.007507 0.004280 0.002689 0.001923 0.005115 0.003055 0.001648 0.004761 0.002357 0.001980 0.009018 0.005928 0.001808 0.006557 0.003742 0.001282 0.004040 C10:3 0.001007 0.000618 0.000275 0.000767 0.000996 0.000767 0.001007 0.000481 0.000080 0.001373 0.001236 0.000057 0.001831 0.004200 0.000824 0.000423 C10:2 0.001545 0.000446 0.001442 0.005527 0.000950 0.001362 0.003879 0.001877 0.001499 0.001694 0.000950 0.000515 0.004177 0.000938 0.001762 0.002083 C10:1 0.006717 0.007827 0.004371 0.003799 0.004040 0.001224 0.007736 0.002403 0.002563 0.004852 0.008834 0.004692 0.004818 0.004200 0.003548 0.002895 0.006489 C10 0.011054 0.017028 0.013023 0.019420 0.015289 0.021422 0.007312 0.016055 0.015151 0.008743 0.008915 0.019351 0.004303 0.015060 0.013893 0.015014 0.018378 0.011535 0.019237 0.005207 C7-DC 0.002643 0.002483 0.001854 0.003628 0.002323 0.000847 0.001282 0.003147 0.001156 0.001659 0.002563 0.001739 0.000996 0.001579 0.001728 0.002151 0.003261 0.001545 0.001648 C8:1-DC 0.002171 0.001606 0.001318 0.000486 0.001170 0.001199 0.001774 0.002042 0.001081 0.001804 0.001110 0.000287 0.004887 0.001249 0.002349 0.001348 0.001606 0.002805 0.001794 C10-OH/C8-DC 0.005819 0.005512 0.002855 0.004451 0.004144 0.004788 0.002449 0.002835 0.002409 0.001933 0.003608 0.001715 0.000743 0.007435 0.001893 0.001001 0.004074 0.002776 0.003559 0.002389 C12:2 0.002290 0.001685 0.000942 0.002230 0.001576 0.002716 0.001665 0.002409 0.000486 0.000912 0.001259 0.000634 0.000981 0.002141 0.000724 0.000922 0.003242 0.000734 0.001120 0.001081 C12:1 0.002389 0.014364 0.007940 0.006791 0.010954 0.006503 0.003142 0.007613 0.006681 0.004620 0.004689 0.010181 0.005036 0.011628 0.005948 0.011707 0.004947 0.010389 0.002577 C12 0.013333 0.039603 0.019816 0.033348 0.027509 0.037968 0.011479 0.041774 0.033378 0.014235 0.028550 0.029710 0.019192 0.036163 0.039663 0.021631 0.051856 0.018409 0.044570 0.007940 C12:2-OH/C10:2-DC 0.001752 0.000568 0.001061 0.001209 0.002147 0.001950 0.001135 0.002295 0.000321 0.001752 0.000444 0.001283 0.000691 0.001234 0.001135 0.000814 0.001061 0.003554 0.000222 0.001061 C12:1-OH/C10:1-DC 0.001925 0.005998 0.001506 0.005356 0.001925 0.004048 0.001604 0.004912 0.001900 0.005282 0.003455 0.002838 0.001333 0.007799 0.003011 0.002838 0.003603 0.005874 0.004541 0.000518 C12-OH/C10-DC 0.002443 0.002888 0.001456 0.003406 0.001382 0.002295 0.000913 0.002024 0.001432 0.001506 0.002098 0.002715 0.002049 0.006318 0.001407 0.001629 0.001851 0.001752 0.001209 0.000494 C14:3 0.000518 0.002690 0.000864 0.002394 0.002888 0.000790 0.000963 0.002641 0.002443 0.001333 0.001308 0.000839 0.001308 0.002764 0.001061 0.001037 0.001308 0.001185 0.003431 0.001160 C14:2 0.003850 0.023274 0.008540 0.010514 0.012489 0.009848 0.003332 0.020930 0.012859 0.007108 0.009305 0.012612 0.002962 0.004023 0.003258 0.008861 0.008145 0.006022 0.011403 0.002345 C14:1 0.014661 0.058766 0.035714 0.024336 0.033813 0.036577 0.011427 0.067133 0.046327 0.026384 0.034998 0.063233 0.027125 0.035393 0.036627 0.029050 0.039885 0.032826 0.057630 0.016709 C14 0.042353 0.227165 0.099811 0.104870 0.104451 0.137400 0.039835 0.202139 0.154677 0.092382 0.116322 0.120024 0.043735 0.127281 0.090160 0.077820 0.120518 0.081152 0.240320 0.037145 C14:3-OH/C12:3-DC 0.000296 0.001752 0.000321 0.001308 0.000123 0.001234 0.000543 0.000642 0.000642 0.000568 0.001209 0.000148 0.001481 0.000963 0.000271 0.001752 0.000296 C14:2-OH/C12:2-DC 0.002197 0.003283 0.004393 0.003554 0.004023 0.003110 0.001357 0.002221 0.002098 0.002468 0.002098 0.003752 0.003060 0.004566 0.002049 0.001555 0.003110 0.001160 0.002419 0.000839 C14:1-OH/C12:1-DC 0.003480 0.036701 0.011032 0.021176 0.011724 0.017820 0.007849 0.012390 0.015031 0.014710 0.016314 0.013846 0.002641 0.024360 0.011329 0.007478 0.010786 0.014957 0.026483 0.004714 C14-OH/C12-DC 0.004245 0.012686 0.007009 0.006170 0.002764 0.004344 0.002147 0.006170 0.001950 0.005356 0.007009 0.004763 0.003603 0.012118 0.004418 0.002024 0.002073 0.003949 0.005455 0.001160 C16:3 0.000765 0.006019 0.003704 0.003201 0.004811 0.002758 0.000684 0.007226 0.005254 0.001953 0.004106 0.003402 0.000825 0.001691 0.002355 0.000986 0.000986 0.002375 0.007649 0.002456 C16:2 0.006019 0.055737 0.024054 0.016969 0.015781 0.019545 0.006099 0.037420 0.028281 0.007287 0.030334 0.015781 0.007327 0.012782 0.010004 0.009360 0.015238 0.007951 0.031059 0.003724 C16:1 0.029247 0.250082 0.116708 0.089956 0.087984 0.082911 0.036011 0.151008 0.121861 0.092694 0.121680 0.150847 0.049497 0.109099 0.100846 0.046377 0.092412 0.079449 0.168459 0.028482 C16 0.166104 2.188885 0.834930 1.223479 0.524521 0.964439 0.249962 0.717658 0.861339 0.796906 0.872249 0.741028 0.236193 0.951899 0.858078 0.380115 0.759949 0.697147 1.649247 0.136193 C16:3-OH/C14:3-DC 0.001469 0.003925 0.000966 0.000684 0.000705 0.001208 0.000443 0.000302 0.000624 0.002657 0.001268 0.000624 0.000242 0.001570 0.000785 0.000423 0.004509 0.001691 0.001208 0.000342 C16:2-OH/C14:2-DC 0.003140 0.024900 0.012762 0.007810 0.006139 0.006099 0.004126 0.008454 0.005052 0.006361 0.009662 0.007589 0.002114 0.005495 0.006844 0.002214 0.004066 0.005173 0.009159 0.002536 C16:1-OH/C14:1-DC 0.009702 0.060266 0.026369 0.028704 0.013386 0.019565 0.005093 0.015962 0.018881 0.018378 0.027919 0.020552 0.008655 0.035065 0.015862 0.006844 0.015278 0.021679 0.037098 0.004207 C16-OH/C14-DC 0.010749 0.067976 0.038466 0.036433 0.019565 0.024014 0.005576 0.025664 0.016667 0.026550 0.060608 0.026087 0.010729 0.067392 0.034461 0.012399 0.023752 0.016989 0.028442 0.003825 C18:3 0.008089 0.056867 0.024914 0.016388 0.013026 0.013184 0.007266 0.021973 0.026560 0.008176 0.012151 0.014549 0.004832 0.011363 0.008789 0.007774 0.017491 0.008947 0.021413 0.005217 C18:2 0.049899 0.654638 0.322154 0.154529 0.127391 0.113752 0.066304 0.220606 0.230498 0.076617 0.147403 0.109025 0.041722 0.089293 0.061349 0.048638 0.109602 0.101111 0.218645 0.037836 C18:1 0.108534 1.309714 0.659978 0.343357 0.236451 0.254974 0.149381 0.451261 0.400732 0.291847 0.464235 0.390839 0.136303 0.338542 0.336739 0.155212 0.283636 0.335268 0.563892 0.106679 C18 0.075811 0.668085 0.257321 0.251070 0.132433 0.153618 0.051177 0.157873 0.148541 0.244890 0.241178 0.167030 0.045399 0.249109 0.160517 0.072520 0.149346 0.227959 0.279714 0.033231 C18:3-OH/C16:3-DC 0.000718 0.005830 0.002154 0.002294 0.000000 0.001191 0.001348 0.002066 0.001891 0.001226 0.002311 0.002013 0.001261 0.003064 0.000298 0.001681 0.001751 0.001768 0.001926 0.000805 C18:2-OH/C16:2-DC 0.004062 0.044419 0.025807 0.012256 0.010698 0.009840 0.001891 0.011661 0.006723 0.006496 0.022708 0.006968 0.004850 0.019049 0.004237 0.007021 0.006268 0.009297 0.002031 C18:1-OH/C16:1-DC 0.007949 0.064081 0.044751 0.023409 0.011170 0.017281 0.003432 0.016283 0.009314 0.021693 0.053768 0.025125 0.007774 0.046502 0.018524 0.005743 0.011118 0.010873 0.018034 0.003081 C18-OH/C16-DC 0.008176 0.036628 0.024844 0.014865 0.012063 0.010785 0.003414 0.011591 0.006496 0.008614 0.027401 0.010610 0.001558 0.025615 0.012151 0.003659 0.008369 0.007651 0.011363 0.001418 C20:4 0.007704 0.043893 0.014217 0.020415 0.017789 0.009349 0.007564 0.024319 0.014339 0.005743 0.010558 0.007056 0.004430 0.006933 0.004745 0.007301 0.006601 0.005533 0.017438 0.005200 C20:3 0.002206 0.040759 0.015898 0.014497 0.007038 0.005638 0.003694 0.009087 0.008071 0.005690 0.011083 0.006338 0.003607 0.007669 0.005025 0.002644 0.006583 0.005515 0.010400 0.002906 C20:2 0.011958 0.181894 0.098064 0.037345 0.014707 0.021220 0.003729 0.018401 0.013254 0.025230 0.049549 0.015442 0.005147 0.023339 0.011608 0.002346 0.011976 0.009314 0.023811 0.002486 C20:1 0.024582 0.255902 0.136723 0.049251 0.023899 0.023164 0.011415 0.023899 0.020047 0.054504 0.075233 0.040514 0.012956 0.051947 0.038168 0.009192 0.017753 0.050337 0.055432 0.003834 C20 0.003222 0.057252 0.016703 0.015617 0.007949 0.005708 0.003869 0.005235 0.004832 0.012291 0.018646 0.009577 0.002504 0.011433 0.008474 0.002451 0.002714 0.007704 0.011853 0.001908 C20:3-OH/C18:3-DC 0.001191 0.003642 0.001908 0.002013 0.001051 0.000333 0.000980 0.000665 0.000770 0.001313 0.001331 0.000613 0.001383 0.001086 0.000893 0.000420 0.000420 0.000875 C20:2-OH/C18:2-DC 0.003187 0.013744 0.007616 0.004570 0.003642 0.002294 0.000998 0.001996 0.001558 0.003589 0.007739 0.001891 0.003852 0.004710 0.001558 0.001278 0.001803 0.001173 0.002294 0.000735 C20:1-OH/C18:1-DC 0.002083 0.022621 0.010715 0.003327 0.002714 0.002819 0.002416 0.003677 0.001681 0.002714 0.009577 0.003519 0.002521 0.006075 0.003116 0.000998 0.003362 0.001471 0.004500 0.000560 C20-OH/C18-DC/C22:6 0.005288 0.018471 0.005883 0.010295 0.006951 0.006968 0.003677 0.015495 0.024039 0.005288 0.011766 0.008947 0.001436 0.005813 0.004552 0.006023 0.015372 0.008527 0.046992 0.003187 C22:5 0.004167 0.041863 0.017351 0.032320 0.008632 0.012781 0.003519 0.011153 0.014112 0.003887 0.012904 0.006898 0.001191 0.006706 0.003099 0.003834 0.008579 0.004009 0.029712 0.001908 C22:4 0.001436 0.015723 0.007266 0.008071 0.003204 0.004290 0.002294 0.004290 0.003764 0.003659 0.003589 0.006531 0.001296 0.004097 0.001558 0.001173 0.001786 0.001768 0.003992 0.001278 C22:3 0.001891 0.009577 0.004360 0.002836 0.000735 0.000595 0.000665 0.000788 0.001261 0.000735 0.003099 0.001121 0.000980 0.000403 0.001471 0.000525 0.001103 0.001261 0.001576 C22:2 0.000770 0.024599 0.008159 0.004412 0.000963 0.001138 0.000560 0.002206 0.001243 0.003362 0.005235 0.002189 0.000595 0.002521 0.001611 0.000700 0.001348 0.001821 0.000000 0.000718 C22:1 0.002294 0.014882 0.006636 0.003099 0.002976 0.002364 0.001821 0.002871 0.003292 0.005988 0.003029 0.000700 0.004202 0.003344 0.004009 0.003834 0.002434 0.003782 0.001313 C22 0.001015 0.004167 0.001156 0.000718 0.000735 0.000875 0.001138 0.000683 0.000473 0.000998 0.001873 0.000525 0.000350 0.000315 0.001996 0.000648 0.000245 0.000158 0.001471 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name C2 C3 C4/Ci4 C5:1 C5 C4-OH C5-OH/C3-DC C5-DC C4-DC/Ci4-DC C6 C8:1 C8 C8:1-OH/C6:1-DC C6-DC/C8-OH C10:3 C10:2 C10:1 C10 C7-DC C8:1-DC C10-OH/C8-DC C12:2 C12:1 C12 C12:2-OH/C10:2-DC C12:1-OH/C10:1-DC C12-OH/C10-DC C14:3 C14:2 C14:1 C14 C14:3-OH/C12:3-DC C14:2-OH/C12:2-DC C14:1-OH/C12:1-DC C14-OH/C12-DC C16:3 C16:2 C16:1 C16 C16:3-OH/C14:3-DC C16:2-OH/C14:2-DC C16:1-OH/C14:1-DC C16-OH/C14-DC C18:3 C18:2 C18:1 C18 C18:3-OH/C16:3-DC C18:2-OH/C16:2-DC C18:1-OH/C16:1-DC C18-OH/C16-DC C20:4 C20:3 C20:2 C20:1 C20 C20:3-OH/C18:3-DC C20:2-OH/C18:2-DC C20:1-OH/C18:1-DC C20-OH/C18-DC/C22:6 C22:5 C22:4 C22:3 C22:2 C22:1 C22 METABOLITES_END #END