#METABOLOMICS WORKBENCH araskind_20170802_131906 DATATRACK_ID:1178 STUDY_ID:ST000842 ANALYSIS_ID:AN001362 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 counts MS_METABOLITE_DATA_START Samples S00020367 S00020368 S00020369 S00020370 S00020371 S00020372 S00020373 S00020374 S00020375 S00020376 S00020377 S00020378 S00020379 S00020380 S00020381 S00020382 S00020383 S00020384 S00020385 S00020386 S00020387 S00020388 S00020389 S00020390 S00020391 S00020392 S00020393 S00020394 S00020395 S00020396 S00020397 S00020398 S00020399 S00020400 S00020401 S00020402 S00020403 S00020404 S00020405 S00020406 S00020407 S00020408 S00020409 S00020410 S00020411 S00020412 S00020413 S00020414 S00020415 S00020416 S00020417 S00020418 S00020419 S00020420 S00020421 S00020422 S00020423 S00020424 S00020425 S00020426 Factors Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 XANTHINE 36034.46429 37320.24031 26718.25817 19223.67836 29011.50962 40540.95556 37089.39456 22616.66959 36329.0697 62956.18333 43825.23939 56678.40566 25352.69697 22648.50709 15286.16167 8030.406433 8028.047917 6804.078231 16645.125 14967.82051 32924.50278 10530.13454 9379.306513 25977.64516 27084.77333 20591.51282 26359.72034 18863.41753 31845.63934 70565.01765 HEXOPYRANOSE 374163.4048 598355.6124 552352.0523 162410.962 346018.4712 279469.5593 363812.0204 458837.9883 404586.3182 463794.4167 571046.0455 366497.1321 520095.3758 653019.8298 211706.7183 297252.6433 97160.28333 253294.9116 543451.2865 606841.3513 556962.5639 358453 408917.3276 623573.7796 433186.0367 536136.0929 376019.8249 543748.7612 622779.5519 9586.831373 DL-ASPARTIC ACID 12804.1131 162189.9419 166906.5294 172544.1287 100623.9231 241481.5815 75904.23129 11606.62573 14498.39697 33601.08333 67439.5303 19506.25786 348467.903 244026.6525 74576.99833 19867.15789 24123.775 112015.4524 15474.96701 12599.74872 3810.816667 8878.598394 10823.43103 19049.06989 122408.6533 30859.77244 22060.73729 21750.00172 13510.54918 5542.341176 OLEIC ACID 1627517.413 836971.5194 1253226.366 1143297.351 1939034.522 1924001.693 1545401.167 1075357.909 2083078.406 834833.68 810423.8818 628609.3931 1043744.424 1468584.33 356550.7 510791.8713 451970.3167 253048.7823 712598.3681 333816.8282 983026.9944 380687.6948 269410.3257 367230.5323 999586.5367 342796.5641 442244.1836 1322434.328 2905382.607 2786794.9 STEARIC ACID 2323263.804 2728434.279 3189204.853 3603828.933 3018109.176 3279834.589 2890559.694 1871034.529 1964153.573 2367534.197 1804689.291 3022993.748 2369778.639 3011100.699 762418.8383 1603781.12 1016911.454 1702422.748 996029.8003 1434877.441 1315485.003 821250.1285 1145888.155 2578414.64 2187536.83 2258377.516 1591018.856 1032126.89 3513217.699 2792686.837 L-GLUTAMINE 11128534.19 16581262.48 14418505.16 7848071.599 19268099.26 14548005.72 10807291.85 20387562.7 14913784.46 22850201.31 20497620.46 12115842.3 12994004.33 14783560.04 5754045.957 15343024.54 4670726.204 11018460.6 10205829.79 11763404.29 9267364.247 8314053.906 12261528.25 22760325.64 16885319.59 17289016.25 13584570.44 6587756.163 12216105.67 6287764.124 ADENOSINE 17696 19876 15612 24825 16957 24504 19506 31325 23229 16674 18509 14521 15937 15499 17485 18949 18220 13214 21679 15298 22992 19883 17235 20355 19660 18524 18381 11504 19203 16008 DL-GLUTAMIC ACID 2090129.923 3674842.264 2702263.105 2787591.506 3565089.766 4583499.981 2227252.779 6646916.713 4197517.07 5004542.243 5081315.703 3319579.186 3450508.839 4553101.216 1558298.263 3398160.877 1158417.552 2096464.262 2448721.04 2851325.813 2500163.05 1841348.954 2622687.333 4689618.704 3061176.187 4114326.288 2439632.842 1662828.873 2428945.426 1574471.031 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 XANTHINE 1188 HEXOPYRANOSE 206 DL-ASPARTIC ACID 424 OLEIC ACID 445639 STEARIC ACID 5281 L-GLUTAMINE 5961 ADENOSINE 60961 DL-GLUTAMIC ACID 611 METABOLITES_END #END