#METABOLOMICS WORKBENCH araskind_20170802_131906 DATATRACK_ID:1178 STUDY_ID:ST000842 ANALYSIS_ID:AN001363 PROJECT_ID:PR000599 VERSION 1 CREATED_ON August 9, 2017, 11:59 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 Muscle and plasma before and after exercise ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY "PA" samples: matched plasma and muscle samples from an obese subject ST:STUDY_SUMMARY mild-intensity exercise training study, V1 is the first visit (untrained), V4 is ST:STUDY_SUMMARY post 3 months training, 1 day after exercise and V5 is post 3 months training, 3 ST:STUDY_SUMMARY days after last exercise. 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 8 ST:TOTAL_SUBJECTS 11 #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 SU0013541 S00020367 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013541 S00020368 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013541 S00020369 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013541 S00020370 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013541 S00020371 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013541 S00020372 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013542 S00020373 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013542 S00020374 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013542 S00020375 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013542 S00020376 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013542 S00020377 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013542 S00020378 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013543 S00020379 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013543 S00020380 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013543 S00020381 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013543 S00020382 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013543 S00020383 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013543 S00020384 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013544 S00020385 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013544 S00020386 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013544 S00020387 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013544 S00020388 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013544 S00020389 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013544 S00020390 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013545 S00020391 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013545 S00020392 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013545 S00020393 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013545 S00020394 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013545 S00020395 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013545 S00020396 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013546 S00020397 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013546 S00020398 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013546 S00020399 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013546 S00020400 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013546 S00020401 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013546 S00020402 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013547 S00020403 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013547 S00020404 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013547 S00020405 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013547 S00020406 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013547 S00020407 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013547 S00020408 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013548 S00020409 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013548 S00020410 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013548 S00020411 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013548 S00020412 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013548 S00020413 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013548 S00020414 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013549 S00020415 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013549 S00020416 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013549 S00020417 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013549 S00020418 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013549 S00020419 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013549 S00020420 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013550 S00020421 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013550 S00020422 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013550 S00020423 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013550 S00020424 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013550 S00020425 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013550 S00020426 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU9999996 S00020456 Sample type:Pooled sample | Visit #:Pooled muscles SUBJECT_SAMPLE_FACTORS SU9999996 S00020457 Sample type:Pooled sample | Visit #:Pooled plasma #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 S00020370 S00020371 S00020372 S00020376 S00020377 S00020378 S00020382 S00020383 S00020384 S00020388 S00020389 S00020390 S00020394 S00020395 S00020396 S00020400 S00020401 S00020402 S00020406 S00020407 S00020408 S00020412 S00020413 S00020414 S00020418 S00020419 S00020420 S00020424 S00020425 S00020426 Factors Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 PHOSPHOENOLPYRUVATE .000692374 .000269296 .000385096 .000237076 .000444103 .000192331 .000250986 .0000702696 .000221273 .000226153 .000364514 .000168573 .000447947 .001320045 .001404787 .0000790481 .000160363 .0000860371 .000338084 .000348029 .0000779086 .000178602 .000169385 .000185704 .0000650337 .000113387 .00068602 .000408294 .000054819 .0000676433 D-ERYTHROSE 4-PHOSPHATE .000695697 .000657567 .00059987 .000298275 .000725613 .000572437 .000326591 .000650204 .000598461 .000451093 .000714843 .00033572 .000510848 .000500631 .000685397 .000744703 .000847537 .000496529 .000802112 .000680847 .00075998 .000524272 .000649739 .000663167 .000645023 .000603478 .000572294 .000775683 .000730915 .000559466 BETA-NAD+ .00000732783 .00000512507 COENZYME II .00000475454 SEDOHEPTULOSE 7-PHOSPHATE .00000579368 .0000087689 .00000831121 .00000806178 .00000906104 .0000130518 .00000842455 .00000904152 .00000733365 .00000767003 .0000106647 .00000859508 .00000652763 .00000771265 .00000767154 .00000668183 .00000761705 .0000147758 .00000836457 .00000928608 .00000746262 .00000503675 .00000673468 .00000709858 D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE) .0000448732 .00005188 .000020854 .0000281005 .0000344448 .0000240813 .0000218905 .000059708 .0000444283 .0000328362 .0000292796 CITRIC ACID .0000628781 .0000522174 .000137563 .0000371445 .0000634602 .000129327 .0000955634 .0000142621 .000102532 .0000352725 .0000463164 .000127017 .0000217355 .0000828596 .0000926184 .000114407 .0000568628 .0000613353 .0000373037 .000011345 .00013523 .0000798239 .000019673 .000121073 .0000838354 .0000470055 .000132993 .0000396948 .000025164 .000120693 NADH .00000412299 .00000528434 FAD .00000657714 .00000666875 .00000682325 .00000683367 .00000799143 .00000381329 .0000039337 .00000625253 .00000452297 .00000431502 .00000721568 .00000447423 2-KETOGLUTARIC ACID .005483059 .00041135 .000245995 .000229274 .00148445 .000368101 .000535112 .007112322 .004015109 .002254665 .003463112 .004634193 .000433372 .000918443 .000953863 .003357838 .002690111 .000263178 .008149631 .009001179 .009761772 .007884967 .011795185 .007875012 .000504706 .003674919 .004657411 .003905279 .002557087 .007828657 MALIC ACID .000671942 .000481077 .000408782 .0000816295 .000882164 .000753969 .000404276 .000494117 .000560045 .000430598 .000725618 .000425625 .000437072 .000437086 .00050506 .000692067 .000532571 .000448827 .000732151 .00054177 .000496865 .000457214 .000717087 .000636598 .000604132 .000802473 .000658072 .000621197 .00049971 .00053466 ADENOSINE TRIPHOSPHATE .0000169038 .0000141377 ROBISON ESTER .000561086 .000573199 .000354567 .000179701 .00069459 .000284147 .000102142 .000477082 .000390114 .000301071 .000706007 .000263048 .000399589 .000428319 .000672847 .000635213 .00088643 .000413949 .000844292 .000637378 .000648195 .000461437 .000615191 .000607864 .000293914 .000456441 .000464381 .00059625 .000596696 .000720315 SUCROSE .0000912839 .00011499 .000151646 .0000455473 .000421152 .000212857 .000120311 .0000973975 .000272692 .000154924 .000278176 .000139153 .0000780307 .000108854 .000202866 .00034929 .00039418 .000311235 .000207334 .000198039 .00008505 .000138818 .00028995 .000292504 .000169346 .000326407 .000260365 .000215002 .00013212 .000214617 ADENOSINE 5'-DIPHOSPHATE .0000204271 .0000212344 .0000117615 .0000185334 .0000141933 .0000343112 .0000178404 ADENOSINE 5'-MONOPHOSPHATE .00000843491 .0000145845 .0000124239 .000010651 .0000128249 .0000143781 .0000139453 .0000127463 .0000121018 .0000129288 .0000122197 .0000114984 .0000115151 .0000129632 .00000678854 .0000116671 .00000835782 .0000123312 .00000708191 .00000998954 .000012085 .00000810954 .00000728129 .0000195191 .0000140266 .0000127972 .0000112423 .00000726733 .0000126757 .00000903399 LACTIC ACID .000134574 .000111198 .00012868 .0000442475 .000171439 .000141518 .000885342 .0000784391 .000116504 .00011157 .000112889 .0000902275 .000115202 .0000938757 .0000998845 .000121975 .0000752299 .0000691199 .000127038 .0000894719 .000126874 .0000991904 .000119706 .000133746 .000131187 .000124326 .0000933179 .000160679 .000129164 .00012298 DIHYDROXYACETONE PHOSPHATE .005606423 .003902441 .004291585 .002986096 .003063678 .005260774 .001568536 .005065483 .004370188 .002900055 .00315984 .002313319 .004562514 .004472054 .00368408 .003524739 .001970165 .00177425 .004196737 .002921553 .005981678 .004390494 .002472867 .002181606 .004909554 .002708278 .001823635 .003364336 .004047909 .002342682 GLYCERATE 3-PHOSPHATE .00029875 .000114607 .000160354 .000100833 .000171199 .000113498 .000115732 .0000501502 .0000943673 .000113493 .000195123 .0000722923 .00022364 .000522474 .000616186 .0001167 .000107606 .0000494883 .000145251 .000144238 .0000623258 .000120006 .0000982436 .00012736 .0000543054 .0000811117 .00034307 .000195061 .0000686288 .0000504753 GLYCERALDEHYDE 3-PHOSPHATE .002026651 .00128968 .00146534 .000338396 .001065443 .000752242 .000518243 .000987364 .000877555 .001664025 .001841169 .001380054 .001465558 .002003445 .002073482 .000603651 .000746134 .000317568 .001143947 .001124085 .00073418 .001109748 .001264405 .001546787 .000839326 .000995919 .001431765 .001388466 .001048096 .001199391 RIBOSE PHOSPHATE .0000418121 .0000374703 .000023801 .0000266348 .0000436392 .000118062 .0000450555 .0000454211 .0000455827 .0000433109 .0000573648 .0000665677 .0000561079 .0000769944 .0000388633 .0000371225 .0000478536 .000041462 .0000417167 .0000409478 .000101194 .0000648397 .0000358553 .0000507619 .0000740746 .0000733618 .0000589322 .0000471671 .0000522747 .0000458034 HYPOXANTHINE .012668942 .005613533 .006356568 .004285682 .009634442 .039002769 .011177738 .012833392 .009935472 .011887538 .010155229 .015283871 .016148903 .014086301 .00682474 .003211891 .006478819 .001664143 .00455737 .003491305 .027827612 .009038978 .00244289 .00499279 .017722773 .005898818 .010015419 .009812022 .006215323 .033081684 6-PHOSPHOGLUCONIC ACID .000053047 .0000430826 .0000412491 .0000497079 .0000506739 .0000234832 .0000483787 .0000326504 .0000796702 .0000367434 .0000288601 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