#METABOLOMICS WORKBENCH araskind_20170802_132352 DATATRACK_ID:1180 STUDY_ID:ST000841 ANALYSIS_ID:AN001355 PROJECT_ID:PR000599 VERSION 1 CREATED_ON August 9, 2017, 11:32 am #PROJECT PR:PROJECT_TITLE Prelim data for NIH exercise consortium PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Plasma samples before and after exercise training in obese adults PR:INSTITUTE University of Michigan PR:DEPARTMENT Kinesiology PR:LABORATORY Horowitz Lab PR:LAST_NAME Horowitz PR:FIRST_NAME Jeff PR:ADDRESS Ann Arbor, MI PR:EMAIL jeffhoro@umich.edu PR:PHONE 734-647-3354 #STUDY ST:STUDY_TITLE Metabolomics of muscle in insulin sensitive and resistant obese indivduals. ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY "OC" samples: muscle biopsy samples collected from insulin sensitive / insulin ST:STUDY_SUMMARY resistant obese indivduals before undergoing a hyperinsulinemic-euglycemic ST:STUDY_SUMMARY clamp. Subjects were previously categorized for the rate of fatty acid release ST:STUDY_SUMMARY from adipose tissue into the bloodstream as a measure of insuline resistance. ST:STUDY_SUMMARY Low-FA, Med-FA, and High-FA stand for low, medium, and high rate of release. 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 4 ST:TOTAL_SUBJECTS 28 #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 SU0013583 S00020427 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013584 S00020428 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013585 S00020429 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013586 S00020430 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013587 S00020431 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013588 S00020432 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013589 S00020433 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013590 S00020434 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013591 S00020435 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013592 S00020436 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013593 S00020437 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013594 S00020438 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013595 S00020439 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013596 S00020440 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013597 S00020441 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013598 S00020442 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013599 S00020443 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013600 S00020444 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013601 S00020445 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013602 S00020446 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013603 S00020447 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013604 S00020448 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013605 S00020449 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013606 S00020450 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013607 S00020451 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013608 S00020452 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013609 S00020453 Subject group:N/A SUBJECT_SAMPLE_FACTORS SU0013610 S00020454 Subject group:N/A #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A003_-_Untargeted_Metabolomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 1mm, 3um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A011 - Glycolysis-TCA-nucleotides.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6520B QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ug/100 mg MS_METABOLITE_DATA_START Samples S00020427 S00020428 S00020429 S00020430 S00020431 S00020432 S00020433 S00020434 S00020435 S00020436 S00020437 S00020438 S00020439 S00020440 S00020441 S00020442 S00020443 S00020444 S00020445 S00020446 S00020447 S00020448 S00020449 S00020450 S00020451 S00020452 S00020453 S00020454 Factors Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:LOW-FA Subject group:MID-FA Subject group:MID-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:MID-FA Subject group:LOW-FA Subject group:MID-FA Subject group:MID-FA Subject group:HIGH-FA Subject group:MID-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:N/A Subject group:N/A PHOSPHOENOLPYRUVATE .000158387 .000141243 .000267489 .000108437 .000131103 .000748215 .000327414 .0000859406 .000398414 .000445959 .000494915 .0000352268 .000341275 .000244074 .000104303 .0000446311 .000346824 .000105831 .00020743 .000529343 .000157326 .000113139 .000304369 .00016443 .000286363 .0000476511 .0000935444 D-ERYTHROSE 4-PHOSPHATE .000698 .00033154 .000491456 .000761174 .000710866 .000716157 .000456663 .000584981 .000661385 .000427685 .000733572 .000664854 .000528937 .000424095 .000763713 .000798171 .000550605 .000672069 .00036853 .000778656 .000446347 .000325551 .000705365 .000635841 .000652672 .000710433 .000426117 .000333863 BETA-NAD+ .00000534892 .00000604254 .00000526487 .00000269031 .00000811678 .00000583892 .00000363806 .00000525688 .00000685024 COENZYME II .0000228306 SEDOHEPTULOSE 7-PHOSPHATE .00000633791 .00000706674 .00000695102 .0000179733 .00000806983 .00000416829 .0000108465 .00000939548 .00000797746 .00000619973 .00000444268 .0000074406 .00000520938 .00000544508 .00000607604 .0000125926 .00000762714 .00000547425 .00000457117 .00000663839 .00000726929 .00000306507 .00000575531 .00000599104 .0000130653 .00000673436 .0000141611 D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE) .0000263451 .000139321 .0000174978 .0000340529 .0000165584 .000019322 .0000187812 .0000197823 .0000215063 .000016177 .00000897883 .0000155308 .0000134041 .0000234887 CITRIC ACID .00000952328 .00000514756 .0000340611 .000256684 .0000209999 .0000544172 .0000252896 .0000436415 .0000104366 .0000276933 .0000435699 .0000139181 .0000437628 .0000440447 .0000224414 .0000300881 .0000150713 .0000415718 .0000480205 .0000416392 .0000853036 .0000385322 .0000398896 .0000421065 .0000301366 .000053417 .0000159694 .0000178535 NADH .00000462791 .00000361477 .00000619041 .0000057635 .0000132625 .0000118012 .00000355915 .0000125362 .00000373442 .00000534763 .0000033975 .0000278368 .0000228666 FAD .000003192 .00000357833 .00000624934 .00000606213 .00000309746 .00000372824 .00000260967 .00000257301 .00000177279 .00000569376 .00000241046 .00000216151 .00000288093 .00000281653 .00000481943 .00000317596 .00000342418 .00000209652 .00000216519 2-KETOGLUTARIC ACID .006357907 .003182442 .001777727 .001391771 .01052729 .000560582 .002268439 .00260358 .004409976 .00433852 .009444182 .005051567 .006575433 .000364221 .009337189 .013595037 .006380381 .016315759 .002345678 .002712727 .002908863 .005480382 .00362572 .004271794 .006541627 .001518684 .005351279 .0018663 MALIC ACID .000556672 .00044996 .00086918 .000286889 .000738716 .000343969 .000389895 .000649741 .000331695 .000403844 .00051331 .000619312 .000790513 .001080224 .000562599 .000823868 .000839923 .000555602 .000670187 .000623004 .000227925 .000545586 .000520505 .000605439 .000574729 .000173374 .000771135 .000429283 ADENOSINE TRIPHOSPHATE .000060078 .00000592012 .0000103731 ROBISON ESTER .000698697 .00022271 .000368258 .00073806 .000634086 .000544185 .000358778 .000529052 .000705511 .000310068 .000750956 .000231038 .000375493 .000249191 .000803888 .000607779 .000480165 .000756041 .0000835556 .0000848248 .000166679 .000117149 .000432551 .000534381 .000267277 .0000528597 .000140943 .0000637954 SUCROSE .000190019 .0000846868 .000184733 .000271442 .000573375 .000159859 .000144641 .000365055 .000306123 .000150973 .00027852 .000101571 .000211395 .000129431 .00018908 .000186501 .000492699 .000257246 .0000964423 .0000374807 .0000574837 .0000441989 .000110856 .000107985 .0000352622 .0000726935 .0000662905 .000103043 ADENOSINE 5'-DIPHOSPHATE .00000964687 .0000140448 .0000701645 .0000134039 .0000119355 .0000105056 .00000822896 .00000871274 .00000585645 .0000104217 .0000136256 .0000114282 .00000922257 .0000146528 .0000110645 .00000725499 .0000103502 ADENOSINE 5'-MONOPHOSPHATE .0000071808 .00000543534 .00000877714 .0000357885 .00000702098 .0000112771 .00000538093 .0000107596 .0000103939 .0000124069 .0000083254 .00000670276 .00000681611 .00000785677 .00000527666 .00000636672 .00000421149 .0000101023 .0000043583 .00000368742 .00000426019 .00000490462 .00000497569 .00000810851 .00000526026 .00000553838 .00000368012 .0000037362 LACTIC ACID .0000936517 .000204546 .000670619 .0000970656 .0000777306 .000126566 .0000739189 .000111729 .0000513841 .0000721376 .000138817 .000061673 .000129897 .000141381 .000114935 .000141776 .000101831 .000100276 .0000239238 .0000737523 .000004631 .0000241964 .0000749065 .0000947183 .00000787346 .0000236368 .0000100872 .000018619 DIHYDROXYACETONE PHOSPHATE .003211775 .002706717 .00245616 .002790334 .00228874 .003676485 .003488228 .001550771 .002309535 .002671498 .003155421 .00305676 .003002015 .002650421 .004278876 .004007901 .002441821 .003179198 .000914779 .001893179 .00079535 .000649172 .002271024 .001306678 .002239816 .001427011 .000998126 .000430323 GLYCERATE 3-PHOSPHATE .000103539 .0000693759 .0001106 .000150312 .0000883046 .000331228 .000143164 .0000621734 .000256559 .000217918 .000202546 .0000465179 .00013518 .000120041 .0000637023 .0000663697 .000161898 .0000821387 .000131043 .000455396 .000107968 .0000847395 .000165022 .00010069 .000205231 .000063272 .000124042 GLYCERALDEHYDE 3-PHOSPHATE .00132295 .00188167 .002773057 .000882665 .001615449 .001295455 .000824903 .000799997 .001793333 .00137668 .001708274 .00153558 .001967172 .0000160137 .002020695 .001475525 .002492326 .001747804 .000981264 .000659465 .000605857 .000584478 .000464611 .000637135 .001684612 .0002328 .000529932 .000711651 RIBOSE PHOSPHATE .0000394998 .0000512192 .0000427627 .00000810702 .0000555728 .000069588 .0000448051 .000054135 .0000495593 .0000271214 .0000390823 .0000375694 .0000570132 .000064151 .0000456366 .0000716823 .0000668576 .0000510087 .0000116417 .0000170564 .0000123203 .0000138935 .0000222511 .0000329722 .0000273795 .00000471889 .0000133678 .0000214906 HYPOXANTHINE .004522013 .010120064 .005006501 .004605449 .003617258 .007186943 .006000882 .005325998 .003828056 .006356258 .005287493 .020078579 .021649569 .02825884 .009726347 .042326728 .030097188 .008897703 .003373985 .005739415 .001774594 .001484269 .007279089 .003876044 .002293868 .005968344 .00110033 .002951506 6-PHOSPHOGLUCONIC ACID .0000249374 .0000184726 .0000285796 .000159677 .000033507 .0000170818 .0000132763 .0000164978 .0000289745 .0000178612 .0000107801 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 PHOSPHOENOLPYRUVATE 1005 D-ERYTHROSE 4-PHOSPHATE 122357 BETA-NAD+ 15938971 COENZYME II 15938972 SEDOHEPTULOSE 7-PHOSPHATE 165007 D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE) 21125049 CITRIC ACID 311 NADH 439153 FAD 46906035 2-KETOGLUTARIC ACID 51 MALIC ACID 525 ADENOSINE TRIPHOSPHATE 5957 ROBISON ESTER 5958 SUCROSE 5988 ADENOSINE 5'-DIPHOSPHATE 6022 ADENOSINE 5'-MONOPHOSPHATE 6083 LACTIC ACID 612 DIHYDROXYACETONE PHOSPHATE 668 GLYCERATE 3-PHOSPHATE 724 GLYCERALDEHYDE 3-PHOSPHATE 729 RIBOSE PHOSPHATE 77982 HYPOXANTHINE 790 6-PHOSPHOGLUCONIC ACID 91493 METABOLITES_END #END