#METABOLOMICS WORKBENCH araskind_20170619_113523 DATATRACK_ID:999 STUDY_ID:ST000703 ANALYSIS_ID:AN001093 PROJECT_ID:PR000500 VERSION 1 CREATED_ON July 1, 2017, 5:28 pm #PROJECT PR:PROJECT_TITLE HIV Microbiome and Short Chain Fatty Acids and immunomodulation PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY We hypothesize that a microbiome enriched with anaerobes in HIV leads to SCFA PR:PROJECT_SUMMARY production and immunomodulatory effects. PR:INSTITUTE New York University School of Medicine PR:DEPARTMENT Department of Medicine PR:LABORATORY Segal Lab PR:LAST_NAME Segal PR:FIRST_NAME Leopoldo PR:ADDRESS New York PR:EMAIL leopoldo.segal@nyumc.org PR:PHONE 212-263-6479 #STUDY ST:STUDY_TITLE Short chain Fatty Acid (SCFA) analysis in HIV patients ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY We hypothesize that a microbiome enriched with anaerobes in HIV leads to SCFA ST:STUDY_SUMMARY production and immunomodulatory effects. The goal of the experiment is ST:STUDY_SUMMARY evaluating bacterial metabolic pathways leading to production of SCFA. DLCO ST:STUDY_SUMMARY stands for Diffusing capacity of the lungs for carbon monoxide. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 213 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0012761 S00019370 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012762 S00019371 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012763 S00019372 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012764 S00019373 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012765 S00019374 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012766 S00019375 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012767 S00019376 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012768 S00019377 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012769 S00019378 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012770 S00019379 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012771 S00019380 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012772 S00019381 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012773 S00019382 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012774 S00019383 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012775 S00019384 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012776 S00019385 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012777 S00019386 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012778 S00019387 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012779 S00019388 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012780 S00019389 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012781 S00019390 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012782 S00019391 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012783 S00019392 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012784 S00019393 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012785 S00019394 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012786 S00019395 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012787 S00019396 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012788 S00019397 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012789 S00019398 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012790 S00019399 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012791 S00019400 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012792 S00019401 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012793 S00019402 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012794 S00019403 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012795 S00019404 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012796 S00019405 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012797 S00019406 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012798 S00019407 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012799 S00019408 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012800 S00019409 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012801 S00019410 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012802 S00019411 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012803 S00019412 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012804 S00019413 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012805 S00019414 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012806 S00019415 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012807 S00019416 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012808 S00019417 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012809 S00019418 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012810 S00019419 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012811 S00019420 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012812 S00019421 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012813 S00019422 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012814 S00019423 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012815 S00019424 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012816 S00019425 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012817 S00019426 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012818 S00019427 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012819 S00019428 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012820 S00019429 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012821 S00019430 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012822 S00019431 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012823 S00019432 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012824 S00019433 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012825 S00019434 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012826 S00019435 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012827 S00019436 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012828 S00019437 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012829 S00019438 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012830 S00019439 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012831 S00019440 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012832 S00019441 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012833 S00019442 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012834 S00019443 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012835 S00019444 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012836 S00019445 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012837 S00019446 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012838 S00019447 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012839 S00019448 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012840 S00019449 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012841 S00019450 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012842 S00019451 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012843 S00019452 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012844 S00019453 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012845 S00019454 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012846 S00019455 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012847 S00019456 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012848 S00019457 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012849 S00019458 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012850 S00019459 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012851 S00019460 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012852 S00019461 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012853 S00019462 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012854 S00019463 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012855 S00019464 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012856 S00019465 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012857 S00019466 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012858 S00019467 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012859 S00019468 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012860 S00019469 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012861 S00019470 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012862 S00019471 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012863 S00019472 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012864 S00019473 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012865 S00019474 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012866 S00019475 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012867 S00019476 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012868 S00019477 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012869 S00019478 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012870 S00019479 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012871 S00019480 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012872 S00019481 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012873 S00019482 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012874 S00019483 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012875 S00019484 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012876 S00019485 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012877 S00019486 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012878 S00019487 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012879 S00019488 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012880 S00019489 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012881 S00019490 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012882 S00019491 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012883 S00019492 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012884 S00019493 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012885 S00019494 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012886 S00019495 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012887 S00019496 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012888 S00019497 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012889 S00019498 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012890 S00019499 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012891 S00019500 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012892 S00019501 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012893 S00019502 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012894 S00019503 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012895 S00019504 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012896 S00019505 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012897 S00019506 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012898 S00019507 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012899 S00019508 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012900 S00019509 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012901 S00019510 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012902 S00019511 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012903 S00019512 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012904 S00019513 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012905 S00019514 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012906 S00019515 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012907 S00019516 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012908 S00019517 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012909 S00019518 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012910 S00019519 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012911 S00019520 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012912 S00019521 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012913 S00019522 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012914 S00019523 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012915 S00019524 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012916 S00019525 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012917 S00019526 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012918 S00019527 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012919 S00019528 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012920 S00019529 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012921 S00019530 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012922 S00019531 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012923 S00019532 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012924 S00019533 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012925 S00019534 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012926 S00019535 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012927 S00019536 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012928 S00019537 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012929 S00019538 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012930 S00019539 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012931 S00019540 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012932 S00019541 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012933 S00019542 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012934 S00019543 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012935 S00019544 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012936 S00019545 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012937 S00019546 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012938 S00019547 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012939 S00019548 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012940 S00019549 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012941 S00019550 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012942 S00019551 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012943 S00019552 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012944 S00019553 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012945 S00019554 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012946 S00019555 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012947 S00019556 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012948 S00019557 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012949 S00019558 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012950 S00019559 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012951 S00019560 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012952 S00019561 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012953 S00019562 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012954 S00019563 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012955 S00019564 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012956 S00019565 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012957 S00019566 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012958 S00019567 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012959 S00019568 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012960 S00019569 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012961 S00019570 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012962 S00019571 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012963 S00019572 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012964 S00019573 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012965 S00019574 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012966 S00019575 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012967 S00019576 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012968 S00019577 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012969 S00019578 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012970 S00019579 DLCO:Low SUBJECT_SAMPLE_FACTORS SU0012971 S00019580 DLCO:High SUBJECT_SAMPLE_FACTORS SU0012972 S00019581 DLCO:High SUBJECT_SAMPLE_FACTORS SU9999996 S00020338 DLCO:- #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A007 - Short Chain Fatty Acids.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890N CH:COLUMN_NAME Phenomenex Zebron ZB-WAXplus (30m x 0.25mm, 0.25um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A007 - Short Chain Fatty Acids.pdf #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 S00019370 S00019371 S00019372 S00019373 S00019374 S00019375 S00019376 S00019377 S00019378 S00019379 S00019380 S00019381 S00019382 S00019383 S00019384 S00019385 S00019386 S00019387 S00019388 S00019389 S00019390 S00019391 S00019392 S00019393 S00019394 S00019395 S00019396 S00019397 S00019398 S00019399 S00019400 S00019401 S00019402 S00019403 S00019404 S00019405 S00019406 S00019407 S00019408 S00019409 S00019410 S00019411 S00019412 S00019413 S00019414 S00019415 S00019416 S00019417 S00019418 S00019419 S00019420 S00019421 S00019422 S00019423 S00019424 S00019425 S00019426 S00019427 S00019428 S00019429 S00019430 S00019431 S00019432 S00019433 S00019434 S00019435 S00019436 S00019437 S00019438 S00019439 S00019440 S00019441 S00019442 S00019443 S00019444 S00019445 S00019446 S00019447 S00019448 S00019449 S00019450 S00019451 S00019452 S00019453 S00019454 S00019455 S00019456 S00019457 S00019458 S00019459 S00019460 S00019461 S00019462 S00019463 S00019464 S00019465 S00019466 S00019467 S00019468 S00019469 S00019470 S00019471 S00019472 S00019473 S00019474 S00019475 S00019476 S00019477 S00019478 S00019479 S00019480 S00019481 S00019482 S00019483 S00019484 S00019485 S00019486 S00019487 S00019488 S00019489 S00019490 S00019491 S00019492 S00019493 S00019494 S00019495 S00019496 S00019497 S00019498 S00019499 S00019500 S00019501 S00019502 S00019503 S00019504 S00019505 S00019506 S00019507 S00019508 S00019509 S00019510 S00019511 S00019512 S00019513 S00019514 S00019515 S00019516 S00019517 S00019518 S00019519 S00019520 S00019521 S00019522 S00019523 S00019524 S00019525 S00019526 S00019527 S00019528 S00019529 S00019530 S00019531 S00019532 S00019533 S00019534 S00019535 S00019536 S00019537 S00019538 S00019539 S00019540 S00019541 S00019542 S00019543 S00019544 S00019545 S00019546 S00019547 S00019548 S00019549 S00019550 S00019551 S00019552 S00019553 S00019554 S00019555 S00019556 S00019557 S00019558 S00019559 S00019560 S00019561 S00019562 S00019563 S00019564 S00019565 S00019566 S00019567 S00019568 S00019569 S00019570 S00019571 S00019572 S00019573 S00019574 S00019575 S00019576 S00019577 S00019578 S00019579 S00019580 S00019581 Factors DLCO:High DLCO:Low DLCO:Low DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:Low DLCO:Low DLCO:High DLCO:Low DLCO:Low DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:Low DLCO:Low DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:Low DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:Low DLCO:High DLCO:Low DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:Low DLCO:Low DLCO:Low DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:High DLCO:Low DLCO:Low DLCO:High DLCO:Low DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:High DLCO:Low DLCO:Low DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:Low DLCO:High DLCO:High PROPIONIC ACID 6.25352956 7.530434073 9.711973713 7.496854783 5.373556113 3.46005778 4.246560305 6.191534256 6.215666045 5.380549227 14.84592454 7.849871631 8.423007358 7.200247186 7.659478493 4.784243429 6.628108337 9.005473834 6.797994979 8.04533468 12.52433228 5.764739252 9.280284508 7.463088037 8.690050175 7.740671436 5.532612485 9.368915855 15.62527659 4.205931193 4.018903509 5.803787066 6.527307501 3.88734941 5.78324125 4.843064104 5.520933791 6.475524833 6.399061139 6.906411589 4.616876419 4.38899926 10.37423548 7.770697493 3.346391973 5.127100834 4.412980567 6.130700946 4.400218792 4.944082355 8.897132446 5.563513001 5.18373982 5.602988071 6.099170343 6.550921045 7.425406729 7.214175871 7.010124676 4.795314661 15.13563538 4.863687915 5.909700907 4.297448352 4.319000323 6.154910474 5.525852903 5.464158184 6.768363763 7.085165733 2.659407461 3.900615727 6.004040556 4.919422669 5.342140754 3.33165462 4.351184349 5.298265897 4.979602451 5.457673792 4.774275931 4.011058848 4.719887193 4.952784199 1.990764472 2.072708398 8.486246348 6.231399046 5.870366872 6.156163368 9.140720275 4.314987761 4.127682543 6.181621906 7.417123764 8.576841421 6.537620829 3.665603703 5.398136233 6.633465053 6.281133489 15.17576744 16.17407511 7.003604624 5.607082661 4.594453762 5.873050902 7.345139985 6.397049972 5.046251925 5.258358716 5.151861197 5.034661207 6.091060165 4.610788843 5.124094526 4.392668106 5.170516425 5.009069923 6.682712408 7.476815157 4.815939379 8.107753982 4.228024438 4.498957174 3.89150229 6.846241436 6.292627504 5.369187419 7.391600307 7.910382881 5.433340986 7.713387093 10.08979692 10.39415296 11.11415966 6.852038415 5.439054726 5.667029607 4.514459006 6.256909394 7.59024237 5.356572579 8.063812607 6.064225165 2.919228567 4.917790808 6.309020287 7.612406492 8.14019686 5.502733932 6.487768885 9.162355475 7.204681105 4.742387889 5.383612523 5.580601871 4.701505269 4.469540024 4.841478335 7.808563816 6.481663121 4.099286367 7.135832778 4.351975859 5.931209708 4.85132668 4.374423598 4.949035486 6.700546881 6.318220528 3.034180441 5.147611272 6.39031038 3.322262684 7.108797158 5.354160531 6.279716477 4.319247844 4.822467017 4.04072342 3.146905811 6.93818204 4.424946819 4.580904173 5.268977424 4.731850709 3.341567431 3.915117764 3.612542878 4.572075133 4.117063628 11.9222838 4.843893278 6.967994962 5.755314054 5.591142378 5.816668957 7.99402297 5.407041758 4.754512296 8.362677827 9.1053605 8.57961942 4.885374112 14.03785615 8.713562692 9.971053206 6.288123466 9.587100418 12.86574164 3.812903701 ISOVALERIC ACID .41172487 .149937988 .149730695 .215039432 .099041839 .083344993 .082397995 .583694992 .291421882 .159731141 .457282209 .361868913 .576638565 .638951788 .252404857 .126544069 .170482154 .208595446 .136288378 .262488208 .101769797 .27851101 .344055852 .236745991 .353047813 16.93584209 10.67276324 9.680020243 36.78093728 .3967152 .282505956 .105320778 13.56617292 .457287626 .346307219 .219229974 1.587566492 .241519823 .153354225 .288151816 .22328444 1.22325261 36.67568827 28.13711625 .140296632 .335904984 .170810938 .567461618 .19829804 .317923857 20.11315873 14.788972 18.27102619 12.18095158 19.61742881 22.26440954 27.13321712 13.88849519 18.21597962 15.57466387 70.02565388 15.03517191 16.10772655 .320144667 .230693738 .756985409 15.35434572 23.72307362 14.12843612 7.580944917 .143228376 .283756685 .681654766 0 15.09262922 19.62752165 5.9662915 15.98642433 13.26799462 28.74980834 .19009716 .409602603 .278376396 .367260728 .049823332 .085318146 30.56635044 41.89046939 32.58668917 25.79523509 22.34768155 18.47911274 17.25607742 27.35141344 21.45406231 20.82161282 25.07274484 18.90271573 22.28897262 13.29720188 38.74862801 11.7668006 24.83269337 52.21124127 20.29271198 24.58678484 21.27992147 19.55915413 40.13906693 18.64096325 32.77093185 15.48692914 16.2580527 27.9143392 12.36178732 13.9311997 .361893324 .832662606 25.16634213 8.838594598 11.95741007 17.87639222 35.8354145 22.26631104 16.37744386 21.24664166 31.94229197 12.89870577 24.81269883 62.74895114 24.29710847 22.77446004 42.69612968 39.17791927 28.71808431 32.52364616 13.68006635 19.52987711 25.89500579 22.68924445 8.552070697 14.45554872 23.49619026 37.5918989 32.01666825 31.37520388 40.39412431 11.32963402 17.70729487 29.68317008 18.21655786 12.03584898 30.39018694 19.09737059 24.96636709 36.09752166 15.35793386 20.29820961 8.653152294 17.91452571 60.93030146 31.3013167 16.31000827 27.07850122 18.97096367 32.40685406 30.41814459 24.36383231 14.51106361 13.40288088 16.63870487 8.368403459 14.39313972 10.06614494 15.0337715 25.92695674 21.60886938 19.54803693 22.96420905 19.38263127 30.75629646 26.44801317 41.0514363 16.99364813 19.0703484 22.32502873 25.0768503 16.96999591 23.38129696 20.92197085 21.98529389 18.58528158 20.4585632 19.12690256 28.75221721 17.74001081 24.84566241 17.86270722 28.79180663 16.31800931 21.88618748 34.71019235 38.45331134 47.02620827 21.04499494 65.62372468 47.91347852 32.33127959 15.48186119 33.66546026 18.42367909 .891755709 ACETIC ACID 72.2170393 85.16011007 53.81085552 47.6348678 39.82897001 36.27620697 40.19751857 57.83659344 38.46084886 32.51223172 70.1521307 55.44324844 49.17457637 35.32139347 38.43369307 21.98635295 51.52256603 52.42867046 172.6287847 46.62303376 62.10995741 38.98068676 41.92577165 41.7196865 88.85578547 91.63311279 67.9687506 155.1662286 172.3022779 44.54805757 34.04648771 35.38264493 170.3822681 24.75981582 39.94294264 52.86436127 43.63606108 24.49486244 68.53921991 38.6221174 47.83169021 36.17729767 102.8229879 99.3721687 59.61018755 27.60977789 29.39911191 31.36842235 27.03399598 30.99800749 135.8271522 79.22246154 81.42455067 83.12291688 90.62999104 106.4941348 101.1444114 111.1261996 75.68234519 79.97334509 187.2520187 91.65101737 107.7487163 26.03205301 30.79883358 57.16330468 108.3153039 63.16787654 91.07511222 117.2092456 18.65387424 25.81444038 82.01716801 65.71637182 91.73923391 96.28604413 47.38638115 81.98139836 101.7380872 95.22137107 27.8063057 64.35171576 37.98982907 39.8941424 22.93216165 25.28100083 131.2009744 163.8639137 106.1139684 104.20354 115.0862946 53.93671001 73.75468657 137.5097225 158.102887 128.4229919 141.3439312 100.9873567 107.7161423 122.8075562 89.04303145 771.7377904 530.5845368 135.7262657 115.1798592 86.35921596 63.49143159 148.2298547 118.379089 90.72838476 118.13728 108.9091019 132.6784555 95.18357534 149.5286515 130.5890572 38.62146889 52.05773242 133.8294098 150.730628 96.96007512 93.83512921 155.3759428 118.7569645 88.77719264 93.89544234 172.1135588 98.34761905 80.94869912 152.3327989 88.5853201 75.07263875 113.0408039 236.6492707 116.8329345 102.3815819 88.78335175 85.7766346 294.1045741 78.31665535 96.21733008 83.03195061 133.1127764 166.8111011 102.2059467 141.8879513 161.9363604 137.7518587 206.0892974 110.7837471 114.9733631 138.8451797 186.9044786 89.80089955 109.1609358 155.8253445 92.77444279 151.3170775 115.8507411 110.0879075 1670.592104 126.2472907 89.44855026 95.45134689 113.8452649 265.3507542 115.4310391 158.9301713 130.6565544 138.6993147 97.4095797 83.59110595 97.1572814 181.3789661 130.4355193 159.4868501 125.3100204 148.7626465 97.44496236 106.931159 483.9776966 119.3103997 107.0350421 169.0171358 94.93872677 165.4597961 97.3888282 74.82641797 77.26482351 82.12428898 75.77574994 58.96684686 105.9088525 146.9838131 105.3451462 130.4776921 95.71584292 128.5620233 127.6622801 97.28750777 69.70932532 134.3938774 177.0774386 128.4699023 94.48796287 264.0446895 164.1075311 218.1808975 149.5017611 213.8392332 209.0969024 52.77284398 BUTYRIC ACID 11.45564612 15.74189325 25.36665388 11.35243018 10.24621877 7.88966121 9.499599841 13.90685634 16.64422298 13.24467151 32.16017907 17.88266414 18.66269788 15.37770939 18.84972485 12.84996172 16.1727417 22.47743052 13.71748112 20.82206295 34.00337603 16.26541868 29.26905556 13.89061696 19.4580982 22.09360634 11.02355626 19.43928378 22.82929306 1.904027139 13.00608412 18.25801737 4.442637611 12.9463654 17.65255731 13.66858663 10.55900302 17.43238724 14.01828724 14.49244106 18.53570887 12.42657071 16.46235263 17.03672197 7.282558749 17.63073319 12.325535 10.19608316 6.328800512 9.520046455 22.23389679 9.638116346 8.933630439 7.45338912 13.72303801 11.03941909 14.53239242 15.52782209 21.51421884 13.07461247 13.71932638 14.73988685 15.22982193 14.8168333 13.22400707 18.99423798 14.87987759 12.69036698 16.9950806 15.19256529 12.75663064 13.61203397 12.37769238 8.226307904 15.24750669 9.097408483 18.10740089 13.66897583 11.5880814 10.93275184 11.66229016 15.45719164 14.88881698 15.61784673 9.196069621 9.318812449 14.47608006 7.693153297 9.796616659 14.4722439 12.89911884 9.4629393 9.94340552 16.59393922 12.01760423 17.61591881 20.35606087 10.41214621 11.73016038 13.10663274 18.03284481 24.8265678 26.36830173 12.20942494 14.01763331 14.7631286 16.77471774 13.87354182 12.37693753 13.85943869 16.9288798 15.57826525 13.04920966 16.07492774 10.09764889 9.632720552 16.16731493 19.09015422 15.78795343 15.89474874 21.49518364 11.15003681 14.19170594 11.95297168 12.12024272 12.04301481 14.38536819 16.52633329 15.64202062 22.55215856 17.3915309 19.57964858 15.73913945 27.60043751 28.35037015 32.77868963 17.4682723 13.360359 19.23472008 13.96189784 17.27276138 25.80735842 17.41327919 21.27087362 16.01755327 2.776004544 2.321836196 14.54746901 16.44835905 26.48612669 16.05621489 15.58781801 21.65132446 19.4082879 17.21711118 17.3277857 15.65533776 11.55999424 13.336368 14.67372211 20.57257529 14.96428758 11.90477672 19.68486014 13.20697801 6.824369225 14.34528451 10.83192418 14.34483512 15.52296372 15.84809739 11.38539881 14.51124733 17.2484871 11.53909828 16.81291363 16.60988688 15.37016101 14.28273911 15.22856197 11.17839245 10.53285552 21.71106648 11.55257505 14.78215924 13.87696481 14.16828958 10.11694378 11.61588619 12.2959355 14.95303654 13.52625135 11.68527332 15.09405625 14.09457289 8.959277252 15.48173073 16.28626349 20.17695507 16.72921241 18.46239146 25.74959741 22.67743956 15.90489362 12.70651576 29.81590981 20.89837403 21.78904614 13.77972229 13.69700708 18.40707965 8.831298438 OCTANOIC ACID .433683933 .153398951 .04920479 .051575566 .010832821 .001822134 0 .009789085 0 .01288684 .140343662 .156917284 0 .048439676 .215795612 .072176519 .019939542 .427832455 .102696269 .053717839 .000746973 .043336799 .042270773 .212798697 .053225652 .014631961 .015564596 .097274252 .137930522 .021739864 .049783036 0 .094541907 0 .008063354 .047082269 0 0 0 .023408754 0 0 .048496534 .01689595 .01933204 .074872295 .189725854 .148668163 .280061893 .124339784 .026121036 .061165788 .10267796 .014224638 .465274427 .140915441 .070856496 .053333342 .116449554 .077635856 .189899235 0 .016384549 .062743842 .034981477 .007679008 .017001143 .02634257 .02091077 .340569491 .0138938 .088764206 .012859826 .118294748 .116136741 .24267606 .024176227 .021326228 .03581103 .051646929 .081476977 .079211181 .066474408 .060010952 .028109678 .039811061 .64757538 .074586791 .0749065 .064416347 .059063515 .02052911 .02392127 .070824315 .415959627 .071385924 .0807952 .049948947 .168344748 .081249238 .085078454 .034347392 .069167402 .179602165 .082894114 .071803224 .044948586 .220455601 .060850296 .072019242 .025740834 .273218218 .186279205 .165827128 .193552793 .24633483 .197574551 .13468656 .089099628 .10560644 .089945575 .171216709 .140534424 .060278185 .035432831 .110505555 .121267565 .118986936 .076587041 .137544733 .14773165 .115738034 .064703517 .184240127 .282573643 .18909857 .128367683 .094993245 .029075471 .038732028 .110109452 .05589184 .067658873 .045887449 .246021136 .127020646 .089662973 .061219796 .011497549 .28987685 0 .03239393 .060326831 .094244132 .058859918 0 .109496974 .082405171 .093171966 .181943096 .166112553 .134730318 .155042564 .119057325 .113027856 .120020141 .092741575 .086275893 .109475094 .078125345 .201679998 .08831295 .05847545 .049015605 .143555514 .097577453 .173050127 .044822785 .113758311 .085880862 .039286608 .044088797 .130582225 .152525882 .094341572 .102733281 .119909552 .063639348 .179093251 .037090409 .033075052 .073974204 .015641828 .091907676 .037439763 0 .046921369 .119446408 0 .027534547 .002439422 .14256267 .155534801 .091641178 .059568608 .12288503 .031660486 .088815577 .105351105 .009947504 .099707373 .052634127 VALERIC ACID .056814587 .225568805 .307385707 .139104174 .076145983 0 .014280958 .205902305 .167688254 .112754451 .551871623 .302698834 .289189505 .250837133 .313700989 .035010697 .154549463 .412741946 .167943726 .310978503 .611445034 .300412174 .362378841 .205344582 .324393864 .2554654 .056105 1.696984913 .408248094 0 .158148283 .187515002 0 .052734024 .254661419 .131299477 0 .116996383 .164014576 .050632021 .099115236 .062035437 .459932885 .410938915 .048697319 .391634786 .408238384 .314141745 .078944036 .291742026 .486901489 .231659375 .178879528 .151512334 .284942943 .386297193 .423536113 .478556259 .432077457 .255608214 .624182771 .240132807 .28071949 .236097221 .224917146 .134337418 .196359256 .299021049 .340218105 .24024622 .192924379 .194220312 .287471166 .072029708 .349392126 .200998359 .276048357 .331339666 .305297205 .145435894 .309521606 .335825247 .269779632 .365006715 .209734273 .271145257 .403578168 .24232266 .20774953 .372071067 .305371829 .18330714 .322186315 .372048399 .428177678 .439996493 .437513272 .207092285 .281925505 .37064045 .527575667 .61270438 .611727104 .372925541 .425745053 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.215123562 .250333364 .237077 .499695498 .309472263 .255382894 1.024222122 .470512885 .448956641 .293831063 .169470402 .600700257 .261514499 HEPTANOIC ACID .110940695 .138760128 .133172281 .204705979 .14913919 .18057468 .045998196 .095279503 .192572521 .215658794 .286933213 .204838244 .0805491 .25191263 .294204568 .134433584 .155431724 .196155129 .161463985 .214901852 .252271174 .16718953 .174514654 .285588495 .243705552 .276580014 .139861318 .308422538 .202487295 .169723706 .169230008 .136496826 .103584929 .083140898 .062530871 .03746726 .011810935 .048635971 .104914277 .013308639 .102604782 .067519122 .13480953 .17532549 .042710089 .128849446 .103024892 .072583666 .040974327 .099656592 .22454718 .147636764 .098139314 .104719956 .186529388 .247710767 .170847557 .214808486 .143636838 .095011296 .106072408 .130893296 .206828096 .151826403 .110602756 .119976252 .14283314 .186131206 .205796153 0 .097790212 .127933704 .09721196 .085205997 .170811426 .142551592 .070533636 .135441026 .105137914 .173676466 .143377564 .133922611 .07274615 .126832311 .064962648 .112883011 .11500855 .176471511 .138274422 .148995051 .133544028 .075910291 .14646052 .152963059 .100865012 .082965656 .052337785 .08362207 .197941668 .106787218 .144522413 .13278723 .178219967 .154862287 .155568826 .136293682 .068222388 .137518164 .15280238 .138950664 .077335787 .038634457 .04570832 .075345792 .064882259 .103964491 .047358872 .057210986 .053101737 .062972487 .108111201 .040226147 .097496339 .136670217 .036192593 .126071538 .087782967 .023587173 .024108361 .180873922 .070494074 .108300549 .107178578 .109659405 .082146533 .169449364 .088950643 .091942969 .142081592 .063690384 .115096787 .067502281 .002532179 .169116635 .043095759 .054455976 .076654837 .136654525 .098751767 .178019726 .100697558 .093002889 .106803461 .081428704 .060124768 .064269473 .092909133 .218373329 .065647988 .168424596 .102160698 .097147057 .158758623 .195708975 .086560632 .068815444 .124974889 .078785837 0 .13034176 .118351743 .1127373 .091659943 .07908013 .071709299 .106691302 .115902179 0 .054235897 .126134437 .111877468 .039680802 .15617686 .161128416 .078614585 .161477432 .050374635 .114498533 .081942861 .04742471 .101801533 .070495011 .071396078 .037984623 .088850574 .008813077 .117568595 .117104439 .077857149 .078633833 0 .130683324 .102772081 .080881093 .085105362 .179039557 .155679813 .190614154 .078326805 .056526795 .093802143 .058703633 HEXANOIC ACID 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20.98496336 .6252213 .15419662 0 0 .090143942 0 0 0 0 0 0 0 0 0 .811342476 .966585163 .196936336 .670966641 1.084784802 .616792029 .150604572 1.229974162 1.407685204 1.079935254 .919513068 1.378555875 1.713923695 1.55536681 1.411192969 .85805114 1.248814458 .651318834 1.003173736 .687976243 .559729373 .697078875 .727776551 .404523985 .522542434 1.825503441 .781224514 .720336526 .131315467 .454638813 .153829751 .223966935 1.050557554 .966943949 .730537783 1.674662621 1.040656553 1.340948152 .601517559 .737731361 .762093432 .933593537 .611295557 .625824734 4.226760268 1.153725349 2.498233693 3.62751549 1.061402637 2.938748616 1.472413024 1.710749825 1.461551131 .944123996 1.955230162 1.432066576 1.156452711 1.437914953 1.386160244 1.454528747 1.209096736 1.059318496 1.658790905 1.233253881 .402931372 2.087989182 1.927454877 .785739288 .774643387 .353443198 .096218662 .006144691 .512025891 .037590018 0 0 0 0 .058206772 1.553155592 0 1.556662087 1.786617284 .954883596 .074678759 0 0 2.453382325 0 .096411412 0 .478133448 .131829032 .274353695 .117200854 0 .036473936 .655777648 0 0 0 2.582779836 1.002091076 2.35128698 5.300888485 .009410636 .537515278 0 0 0 .103880545 1.008023456 0 0 1.016550195 .421559461 0 .36911222 0 1.454619594 .081225486 .392065953 0 .23009225 .34825531 1.141622334 .091339171 0 .310592146 0 0 0 0 .654483904 .321859272 1.142201215 0 .295984392 .780099871 0 1.087852573 2.018859589 1.59543019 .316884997 0 2.199936425 .73683062 .434748886 0 .232078542 0 0 2.422788108 0 .126158324 .43548553 1.836185152 .062430321 .069233074 .834665135 1.338187706 3.318457083 1.074726958 4.294991348 1.406844807 1.041602605 1.77811061 1.093011567 .765661796 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type PROPIONIC ACID 1032 ISOVALERIC ACID 10430 ACETIC ACID 176 BUTYRIC ACID 264 OCTANOIC ACID 379 VALERIC ACID 7991 HEPTANOIC ACID 8094 HEXANOIC ACID 8892 METABOLITES_END #END