#METABOLOMICS WORKBENCH araskind_20150611_9829451_mwtab.txt DATATRACK_ID:308 STUDY_ID:ST000203 ANALYSIS_ID:AN000305 PROJECT_ID:PR000171 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Dietary emulsifying agents PR:PROJECT_SUMMARY SCFA and Bile acid composition in conventional and GermFree SW treated with PR:INSTITUTE Georgia State University PR:DEPARTMENT Biology PR:LABORATORY Gewirtz's Lab PR:LAST_NAME Gewirtz PR:FIRST_NAME Andrew PR:ADDRESS 14 Marietta Street, NW Atlanta, GA 30303-2813 PR:EMAIL bchassaing@gsu.edu PR:PHONE 404-413-3589 #STUDY ST:STUDY_TITLE Germfree vs Conventional SW Studies ST:STUDY_TYPE SCFA and Bile acid composition in conventional and GermFree SW treated with ST:STUDY_SUMMARY SCFA and Bile acid composition in conventional and GermFree SW treated with 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@umich.edu ST:PHONE - ST:NUM_GROUPS 6 ST:TOTAL_SUBJECTS 66 #SUBJECT SU:SUBJECT_TYPE - SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10088 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0002961 S00012778 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002962 S00012779 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002963 S00012780 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002964 S00012781 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002961 S00012782 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002962 S00012783 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002963 S00012784 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002964 S00012785 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002961 S00012811 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002962 S00012812 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002963 S00012813 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002964 S00012814 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002961 S00012815 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002962 S00012816 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002963 S00012817 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002964 S00012818 treatment:CMC | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002947 S00012764 treatment:CMC | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002948 S00012765 treatment:CMC | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002949 S00012766 treatment:CMC | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002950 S00012767 treatment:CMC | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002947 S00012797 treatment:CMC | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002948 S00012798 treatment:CMC | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002949 S00012799 treatment:CMC | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002950 S00012800 treatment:CMC | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002965 S00012786 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002966 S00012787 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002967 S00012788 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002965 S00012789 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002966 S00012790 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002967 S00012791 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002968 S00012792 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002965 S00012819 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002966 S00012820 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002967 S00012821 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002965 S00012822 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002966 S00012823 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002967 S00012824 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002968 S00012825 treatment:P80 | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002951 S00012768 treatment:P80 | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002952 S00012769 treatment:P80 | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002953 S00012770 treatment:P80 | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002954 S00012771 treatment:P80 | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002955 S00012772 treatment:P80 | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002951 S00012801 treatment:P80 | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002952 S00012802 treatment:P80 | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002953 S00012803 treatment:P80 | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002954 S00012804 treatment:P80 | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002955 S00012805 treatment:P80 | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002956 S00012773 treatment:Water | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002957 S00012774 treatment:Water | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002958 S00012775 treatment:Water | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002959 S00012776 treatment:Water | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002960 S00012777 treatment:Water | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002956 S00012806 treatment:Water | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002957 S00012807 treatment:Water | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002958 S00012808 treatment:Water | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002959 S00012809 treatment:Water | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002960 S00012810 treatment:Water | Germfree versus conventional:Conventionaly raised animal SUBJECT_SAMPLE_FACTORS SU0002943 S00012760 treatment:Water | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002944 S00012761 treatment:Water | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002945 S00012762 treatment:Water | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002946 S00012763 treatment:Water | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002943 S00012793 treatment:Water | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002944 S00012794 treatment:Water | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002945 S00012795 treatment:Water | Germfree versus conventional:Germfree animal SUBJECT_SAMPLE_FACTORS SU0002946 S00012796 treatment:Water | Germfree versus conventional:Germfree animal #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Face #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME SCFA_analysis_protocol-2015-03-10.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME - CH:COLUMN_NAME Phenomenex Zebron ZB-WAXplus (30m x 0.25mm, 0.25um) CH:METHODS_ID AQM030 CH:METHODS_FILENAME WAXPLUS_100-200C_2_SIM.M.txt #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE WAXPLUS_100-200C_2_SIM.M.txt AN:PROCESSING_PARAMETERS_FILE EX00249-SCFA-Quant-methods.m.zip #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 5975C MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS nmol/100 mg sample MS_METABOLITE_DATA_START Samples S00012778 S00012779 S00012780 S00012781 S00012782 S00012783 S00012784 S00012785 S00012764 S00012765 S00012766 S00012767 S00012786 S00012787 S00012788 S00012789 S00012790 S00012791 S00012792 S00012768 S00012769 S00012770 S00012771 S00012772 S00012773 S00012774 S00012775 S00012776 S00012777 S00012760 S00012761 S00012762 S00012763 Factors treatment:CMC | Germfree versus conventional:Conventionaly raised animal treatment:CMC | Germfree versus conventional:Conventionaly raised animal treatment:CMC | Germfree versus conventional:Conventionaly raised animal treatment:CMC | Germfree versus conventional:Conventionaly raised animal treatment:CMC | Germfree versus conventional:Conventionaly raised animal treatment:CMC | Germfree versus conventional:Conventionaly raised animal treatment:CMC | Germfree versus conventional:Conventionaly raised animal treatment:CMC | Germfree versus conventional:Conventionaly raised animal treatment:CMC | Germfree versus conventional:Germfree animal treatment:CMC | Germfree versus conventional:Germfree animal treatment:CMC | Germfree versus conventional:Germfree animal treatment:CMC | Germfree versus conventional:Germfree animal treatment:P80 | Germfree versus conventional:Conventionaly raised animal treatment:P80 | Germfree versus conventional:Conventionaly raised animal treatment:P80 | Germfree versus conventional:Conventionaly raised animal treatment:P80 | Germfree versus conventional:Conventionaly raised animal treatment:P80 | Germfree versus conventional:Conventionaly raised animal treatment:P80 | Germfree versus conventional:Conventionaly raised animal treatment:P80 | Germfree versus conventional:Conventionaly raised animal treatment:P80 | Germfree versus conventional:Germfree animal treatment:P80 | Germfree versus conventional:Germfree animal treatment:P80 | Germfree versus conventional:Germfree animal treatment:P80 | Germfree versus conventional:Germfree animal treatment:P80 | Germfree versus conventional:Germfree animal treatment:Water | Germfree versus conventional:Conventionaly raised animal treatment:Water | Germfree versus conventional:Conventionaly raised animal treatment:Water | Germfree versus conventional:Conventionaly raised animal treatment:Water | Germfree versus conventional:Conventionaly raised animal treatment:Water | Germfree versus conventional:Conventionaly raised animal treatment:Water | Germfree versus conventional:Germfree animal treatment:Water | Germfree versus conventional:Germfree animal treatment:Water | Germfree versus conventional:Germfree animal treatment:Water | Germfree versus conventional:Germfree animal aceticacid 1346.8223 1022.3871 949.8515 13058.3380 1424.7855 1207.1084 1000.4478 844.5623 39.0354 46.5138 44.6433 50.1977 810.4288 1406.8209 1678.5301 8967.6542 1186.1367 1082.2192 930.9703 117.9421 45.0435 123.3776 106.0528 57.9366 1046.9955 1788.3109 1282.3848 1360.0637 1249.0189 159.9614 104.3115 117.9177 107.1703 butyricacid 1847.2783 212.7923 300.1077 411.8650 258.4784 341.2332 280.0551 341.2600 1.8814 1.0744 0.7711 0.8174 275.6099 570.4192 201.8696 236.2371 200.7351 285.3536 135.5877 1.2525 1.6810 2.4163 0.6584 1.0528 338.0550 1203.7039 477.9451 637.6386 280.9084 12.9076 4.6693 3.3070 2.2475 heptanoicacid 0.3803 0.0000 0.0911 0.0000 0.0931 0.1051 0.0821 0.1380 0.3327 0.4112 0.2875 0.1829 0.4674 0.2521 0.3872 0.4813 0.1901 0.1949 0.1474 0.3789 0.1943 0.0000 0.2943 0.0000 0.0000 0.1241 0.1382 0.1729 0.0000 0.5749 0.3354 0.4353 0.4031 hexanoicacid 4.3676 4.4263 3.3593 0.0000 4.2185 3.0758 3.2846 3.1645 4.0767 3.0896 2.9586 3.1229 6.7650 4.6047 9.6339 3.9225 4.3250 3.7898 3.9906 3.2575 2.6500 5.7169 3.1607 4.1110 3.8477 3.6273 3.7186 3.5318 5.3921 12.0519 3.3274 5.8762 5.8529 isovalericacid 87.8565 10.6906 18.8707 13.7207 30.6772 24.5380 28.3734 26.1540 0.5225 2.7920 2.3190 2.6704 9.9650 14.6708 18.6528 7.9391 6.7815 22.1060 25.0508 4.1340 0.3722 0.2996 2.9406 0.1386 20.6122 72.9744 29.3245 20.9310 6.6119 6.1937 1.9135 1.6758 0.4069 propionic acid 438.1590 249.5163 193.1218 867.9102 301.4272 351.5120 367.5920 386.5089 10.3097 6.0704 9.2675 7.5240 273.4653 331.6082 252.1256 473.2676 178.7126 225.0120 148.5658 9.2211 8.5329 17.8264 3.8545 10.1921 225.3408 670.6879 273.9458 364.0502 247.0180 33.8483 6.5752 14.9280 16.1517 valericacid 293.4189 22.7200 29.1926 21.7923 64.3145 102.1568 102.2539 112.8748 1.0890 0.5684 0.5541 0.3353 84.6017 62.0514 16.5688 12.3493 44.7362 77.3513 36.0238 1.1885 0.8587 1.0217 1.0762 0.4193 59.0515 364.3893 68.7853 95.1317 19.1401 6.7189 2.5674 2.1254 0.5669 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 aceticacid 176 Acetate UM_Target_ID butyricacid 20975673 Butyrate UM_Target_ID heptanoicacid 8094 Heptanoate UM_Target_ID hexanoicacid 8892 Hexanoate UM_Target_ID isovalericacid 10430 Isovalerate UM_Target_ID propionic acid 1032 Propionate UM_Target_ID valericacid 7991 Valerate UM_Target_ID METABOLITES_END #END