#METABOLOMICS WORKBENCH araskind_20170619_120052 DATATRACK_ID:1007 STUDY_ID:ST000710 ANALYSIS_ID:AN001109 PROJECT_ID:PR000507 VERSION 1 CREATED_ON July 2, 2017, 12:08 pm #PROJECT PR:PROJECT_TITLE SCFA Fecal Analysis for Excercise and Antiobitic Experiments PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY SCFA Fecal Analysis for Excercise and Antiobitic Experiments PR:INSTITUTE University of Colorado Boulder PR:DEPARTMENT Integrative Physiology PR:LABORATORY Fleshner Lab PR:LAST_NAME Fleshner PR:FIRST_NAME Monika PR:ADDRESS Boulder, CO PR:EMAIL monika.fleshner@colorado.edu PR:PHONE 303-492-1483 #STUDY ST:STUDY_TITLE Influence of excercise and antiobitic on fecal SCFA ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Rats were given antibiotics or water and/or allowed to run or had their wheels ST:STUDY_SUMMARY locked. 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 6 ST:TOTAL_SUBJECTS 45 #SUBJECT SU:SUBJECT_TYPE Rat SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0013707 S00020736 Activity:Run | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013708 S00020737 Activity:Run | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013709 S00020738 Activity:Run | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013710 S00020739 Activity:Run | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013711 S00020740 Activity:Run | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013712 S00020741 Activity:Run | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013713 S00020742 Activity:Sedentary | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013714 S00020743 Activity:Sedentary | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013715 S00020744 Activity:Sedentary | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013716 S00020745 Activity:Sedentary | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013717 S00020746 Activity:Sedentary | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013718 S00020747 Activity:Sedentary | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013719 S00020748 Activity:Sedentary | Age:Adult | Treatment:n/a SUBJECT_SAMPLE_FACTORS SU0013720 S00020749 Activity:Run | Age:n/a | Treatment:Antiobiotic SUBJECT_SAMPLE_FACTORS SU0013721 S00020750 Activity:Run | Age:n/a | Treatment:Antiobiotic SUBJECT_SAMPLE_FACTORS SU0013722 S00020751 Activity:Run | Age:n/a | Treatment:Antiobiotic SUBJECT_SAMPLE_FACTORS SU0013723 S00020752 Activity:Run | Age:n/a | Treatment:Antiobiotic SUBJECT_SAMPLE_FACTORS SU0013724 S00020753 Activity:Run | Age:n/a | Treatment:Antiobiotic SUBJECT_SAMPLE_FACTORS SU0013725 S00020754 Activity:Run | Age:n/a | Treatment:Antiobiotic SUBJECT_SAMPLE_FACTORS SU0013726 S00020755 Activity:Sedentary | Age:n/a | Treatment:Antiobiotic SUBJECT_SAMPLE_FACTORS SU0013727 S00020756 Activity:Sedentary | Age:n/a | Treatment:Antiobiotic SUBJECT_SAMPLE_FACTORS SU0013728 S00020757 Activity:Sedentary | Age:n/a | Treatment:Antiobiotic SUBJECT_SAMPLE_FACTORS SU0013729 S00020758 Activity:Sedentary | Age:n/a | Treatment:Antiobiotic SUBJECT_SAMPLE_FACTORS SU0013730 S00020759 Activity:Sedentary | Age:n/a | Treatment:Antiobiotic SUBJECT_SAMPLE_FACTORS SU0013731 S00020760 Activity:Sedentary | Age:n/a | Treatment:Antiobiotic SUBJECT_SAMPLE_FACTORS SU0013732 S00020761 Activity:Run | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013733 S00020762 Activity:Run | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013734 S00020763 Activity:Run | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013735 S00020764 Activity:Run | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013736 S00020765 Activity:Run | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013737 S00020766 Activity:Sedentary | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013738 S00020767 Activity:Sedentary | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013739 S00020768 Activity:Sedentary | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013740 S00020769 Activity:Sedentary | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013741 S00020770 Activity:Sedentary | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013742 S00020771 Activity:Run | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013743 S00020772 Activity:Run | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013744 S00020773 Activity:Run | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013745 S00020774 Activity:Run | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013746 S00020775 Activity:Run | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013747 S00020776 Activity:Sedentary | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013748 S00020777 Activity:Sedentary | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013749 S00020778 Activity:Sedentary | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013750 S00020779 Activity:Sedentary | Age:n/a | Treatment:Water SUBJECT_SAMPLE_FACTORS SU0013751 S00020780 Activity:Sedentary | Age:n/a | Treatment:Water #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 S00020736 S00020737 S00020738 S00020739 S00020740 S00020741 S00020742 S00020743 S00020744 S00020745 S00020746 S00020747 S00020748 S00020749 S00020750 S00020751 S00020752 S00020753 S00020754 S00020755 S00020756 S00020757 S00020758 S00020759 S00020760 S00020761 S00020762 S00020763 S00020764 S00020765 S00020766 S00020767 S00020768 S00020769 S00020770 S00020771 S00020772 S00020773 S00020774 S00020775 S00020776 S00020777 S00020778 S00020779 S00020780 Factors Activity:Run | Age:Adult | Treatment:n/a Activity:Run | Age:Adult | Treatment:n/a Activity:Run | Age:Adult | Treatment:n/a Activity:Run | Age:Adult | Treatment:n/a Activity:Run | Age:Adult | Treatment:n/a Activity:Run | Age:Adult | Treatment:n/a Activity:Sedentary | Age:Adult | Treatment:n/a Activity:Sedentary | Age:Adult | Treatment:n/a Activity:Sedentary | Age:Adult | Treatment:n/a Activity:Sedentary | Age:Adult | Treatment:n/a Activity:Sedentary | Age:Adult | Treatment:n/a Activity:Sedentary | Age:Adult | Treatment:n/a Activity:Sedentary | Age:Adult | Treatment:n/a Activity:Run | Age:n/a | Treatment:Antiobiotic Activity:Run | Age:n/a | Treatment:Antiobiotic Activity:Run | Age:n/a | Treatment:Antiobiotic Activity:Run | Age:n/a | Treatment:Antiobiotic Activity:Run | Age:n/a | Treatment:Antiobiotic Activity:Run | Age:n/a | Treatment:Antiobiotic Activity:Sedentary | Age:n/a | Treatment:Antiobiotic Activity:Sedentary | Age:n/a | Treatment:Antiobiotic Activity:Sedentary | Age:n/a | Treatment:Antiobiotic Activity:Sedentary | Age:n/a | Treatment:Antiobiotic Activity:Sedentary | Age:n/a | Treatment:Antiobiotic Activity:Sedentary | Age:n/a | Treatment:Antiobiotic Activity:Run | Age:n/a | Treatment:Water Activity:Run | Age:n/a | Treatment:Water Activity:Run | Age:n/a | Treatment:Water Activity:Run | Age:n/a | Treatment:Water Activity:Run | Age:n/a | Treatment:Water Activity:Sedentary | Age:n/a | Treatment:Water Activity:Sedentary | Age:n/a | Treatment:Water Activity:Sedentary | Age:n/a | Treatment:Water Activity:Sedentary | Age:n/a | Treatment:Water Activity:Sedentary | Age:n/a | Treatment:Water Activity:Run | Age:n/a | Treatment:Water Activity:Run | Age:n/a | Treatment:Water Activity:Run | Age:n/a | Treatment:Water Activity:Run | Age:n/a | Treatment:Water Activity:Run | Age:n/a | Treatment:Water Activity:Sedentary | Age:n/a | Treatment:Water Activity:Sedentary | Age:n/a | Treatment:Water Activity:Sedentary | Age:n/a | Treatment:Water Activity:Sedentary | Age:n/a | Treatment:Water Activity:Sedentary | Age:n/a | Treatment:Water PROPIONIC ACID 6.464577459 8.186548675 865.973082 762.5866014 9.21924858 8.091435898 9.096209947 7.177494332 8.62976562 7.930020307 8.037684327 9.279291638 9.107754444 508.9363451 4.247815082 3.352819231 506.0175218 4.613651116 3.78219196 509.4104275 3.955202118 3.981798863 506.1719376 519.7380292 3.924434396 6.535604366 1298.322134 10.70648717 1238.159767 1084.213405 10.6228802 8.433573929 804.6864451 8.034097829 7.227799035 983.9984707 7.946260917 8.610824814 945.8600452 773.9115386 1089.995257 8.68067105 8.764786 1024.360217 1076.107142 ISOVALERIC ACID 2.23928905 2.332110954 306.218358 2.182019378 297.8944187 291.6962687 234.6792088 313.4292049 1.962604061 252.8983435 297.6791436 2.128993915 2.363676309 1.656997931 1.678867288 199.7125957 199.6187689 199.9014236 1.494045453 199.6383933 1.55977631 1.558075932 199.6109956 199.6579429 199.8115322 294.8583606 284.946974 2.06502995 1.754399911 260.736771 229.271193 1.889247906 2.016601741 250.232505 1.853321815 2.247249476 2.080061307 2.293417279 2.252933625 2.052358259 2.006187387 2.36438755 2.37506413 327.3737854 305.2379728 ACETIC ACID 4845.317744 52.22180825 5886.581008 5028.194797 66.33116945 44.90706153 56.69810631 8611.405609 58.77797893 64.18007698 7074.121767 72.00147579 69.81158325 475.6293609 3.133809965 410.4705787 413.2767481 941.0393832 386.0283637 476.8187173 2.97534056 4.507316925 3.210197895 4.197670264 530.283225 3967.382518 12419.99722 115.4851447 72.00366195 77.04548733 98.46244644 82.67264577 6212.013806 10987.71126 55.08733211 10681.49115 5119.304575 8753.971829 74.45122998 48.77398077 77.10325829 73.38083865 55.00459301 68.73016067 8347.038567 BUTYRIC ACID 11.01193256 8.864800594 1918.17204 852.4147317 17.88029183 1722.631064 10.18225056 16.64449794 6.975056043 2024.21362 21.99706446 3711.506377 1133.746909 430.1333896 426.0515917 425.3810028 425.2097963 426.3680728 3.187164796 3.033888984 3.388199372 3.317797186 3.341143661 3.060924194 3.245360443 9.3262202 20.40405342 2843.72867 12.10233134 23.02790493 1415.914561 10.50323609 1011.643331 647.600912 24.57815874 1488.747391 1083.863773 1246.8688 12.55824326 8.032638844 13.2071123 9.602341278 15.12110735 20.74723578 2126.750749 OCTANOIC ACID .290231314 .135490652 42.52917905 20.94283536 .312668504 29.31095912 .109222167 .201195667 .142874569 39.82728091 .159321382 16.24662255 14.38038137 13.47125749 12.58619447 14.93065455 14.37960195 14.29695822 .101853376 .107416567 .111868717 .122443572 .123017248 .103136802 .119942372 .229558194 .173076799 18.64664636 .124918362 .165761067 17.78119651 .131036719 16.78166686 21.48048609 .197013837 35.16203175 16.70510455 23.45827026 .173648555 .14849288 .207993399 .212604576 .222285076 .331477612 39.72407387 VALERIC ACID 3.215197814 3.065624113 457.0316787 353.7566918 4.251847419 453.8537014 2.599955429 3.62857392 2.921296921 420.191513 3.846674215 443.2922596 356.0127928 267.0545732 266.414878 267.4318239 267.2547297 269.2180053 1.994046342 1.906620226 2.082519928 2.086500119 2.058210335 1.929345954 2.047428047 4.433217438 4.592751122 484.4016007 2.941399253 4.013286406 342.38492 2.998373381 315.3921992 406.8163687 3.080568513 521.0012786 334.9942392 447.7901766 3.720931804 2.956853422 3.368789626 3.786153523 3.485160733 4.353279299 465.1903149 HEPTANOIC ACID .229603859 .196196713 32.68481338 .22662531 32.22563317 29.03706674 19.51825962 29.81545649 .198018662 29.08552218 24.87245294 .174810666 .191722449 .158980052 .159535895 19.30775036 19.14102299 19.20103941 .142097334 19.10347726 .14878179 .149071987 19.0975835 19.18479008 19.30462841 29.03667758 27.93609135 .187640496 .162640244 24.78421173 21.4418681 .165714648 .191477571 27.96037905 .194865835 .267219049 .195266743 .247651315 .222612092 .201727938 .21431252 .254016528 .242470807 35.52504372 31.98088115 HEXANOIC ACID 219.88882 1.040232901 2.039360109 189.2803445 296.7956967 226.3976796 83.71936538 2.32496836 141.6305847 2.798992838 1.807225194 1.810972026 113.5482811 63.04646137 .523872684 .454255442 66.78140622 .650946982 .460551445 66.87906107 .489252745 .520315881 65.73867873 70.15851008 .55032727 1.495291606 301.2253677 1.758391685 183.297957 264.2095109 1.470798247 1.07211226 123.3991507 1.618047999 2.455320403 2.239703173 1.210277434 1.727768807 1.673944479 1.208194933 2.076110232 1.639134009 2.08777719 411.1880039 361.2330472 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