#METABOLOMICS WORKBENCH araskind_20150612_9213111_mwtab.txt DATATRACK_ID:318 STUDY_ID:ST000213 ANALYSIS_ID:AN000315 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 (part II) 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 Faces #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Bile-acids-2015-03-11.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE - CH:INSTRUMENT_NAME - CH:COLUMN_NAME - CH:METHODS_ID AQM040 CH:METHODS_FILENAME 2014-03-27-Bile_acid-full-ESN-insert.m.zip #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE 2014-03-27-Bile_acid-full-ESN-insert.m.zip AN:PROCESSING_PARAMETERS_FILE EX00249-Bile-Acids-Quant-method.m.zip #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6490 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/mg sample MS_METABOLITE_DATA_START Samples S00012811 S00012812 S00012813 S00012814 S00012815 S00012816 S00012817 S00012818 S00012797 S00012798 S00012799 S00012800 S00012819 S00012820 S00012821 S00012822 S00012823 S00012824 S00012825 S00012801 S00012802 S00012803 S00012804 S00012805 S00012806 S00012807 S00012808 S00012809 S00012810 S00012793 S00012794 S00012795 S00012796 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 a-Muricholic acid 10.0379 0.8033 3.7723 15.6415 27.4867 6.0112 171.5015 18.9537 0.0842 0.0430 0.3707 0.0653 15.1264 2.4226 12.0913 11.4196 11.1015 60.3824 0.0592 0.1228 0.0502 0.0675 0.0574 0.0467 0.4635 11.3051 0.7910 1.0608 1.0421 0.0592 0.0509 0.0543 0.0705 b-Muricholic acid 76.2852 55.8490 39.3840 126.5260 120.4018 19.5791 121.4309 35.1270 0.4650 0.3386 0.3248 0.5783 55.4975 38.6361 74.6866 59.7701 52.3362 52.2851 115.3679 1.0339 0.9033 0.8912 1.2021 0.2388 26.1363 34.1928 76.1817 32.2229 58.1324 0.3308 0.6226 0.4533 1.0053 Chenodeoxycholic acid 44.3723 34.1816 49.2774 93.5364 34.6680 5.8610 164.7756 26.3761 0.2314 0.2019 0.1932 0.2084 22.0174 16.7756 4.9576 7.5199 28.1069 33.1387 18.9587 0.3184 0.3639 0.1978 0.2047 0.1026 17.7671 22.2692 47.9011 9.6198 14.1275 0.2984 0.2893 0.2701 0.4484 Cholic acid 62.1623 53.0027 43.2210 97.7017 93.7882 15.2149 145.4449 21.0884 0.0000 0.0000 0.0000 0.0000 14.0538 36.6676 54.4531 36.2964 37.5057 79.1444 107.4107 0.0000 0.0000 0.0000 0.0000 0.0000 20.2312 35.9374 117.2313 26.1029 56.9073 0.0000 0.0000 0.0000 0.0000 Deoxycholic acid 121.7669 50.6464 110.1354 353.7255 242.3692 61.1410 987.1996 173.0107 0.0165 0.0109 0.0086 0.0522 136.0362 36.1630 39.0895 106.7520 224.4244 177.1059 129.4415 0.0104 0.0185 0.0459 0.0352 0.0069 48.0138 345.0181 280.7201 30.2493 44.8427 0.0055 0.0102 0.0156 0.1751 Glychocholic acid 0.3769 0.3508 0.3326 0.3639 0.4275 0.2772 0.3601 0.2894 0.5000 0.2580 0.2897 0.3923 0.5889 0.3009 0.6946 0.4169 0.3136 0.3064 0.4893 0.7419 0.2982 0.4164 0.3523 0.2902 0.2723 0.3885 0.4346 0.2923 0.5114 0.3538 0.3173 0.3289 0.4318 Glycochenodeoxycholic acid 0.3819 0.3199 0.2963 0.2754 0.3800 0.2644 0.2691 0.2650 0.5109 0.2623 0.2920 0.3982 0.6012 0.3064 0.6826 0.3471 0.2885 0.2670 0.3774 0.7610 0.3099 0.4109 0.3618 0.2793 0.2594 0.3783 0.2665 0.2931 0.3896 0.3670 0.3083 0.3400 0.4335 Glycodeoxycholic acid 0.3605 0.2541 0.3253 0.5094 0.4165 0.2107 0.3266 0.2396 0.3605 0.1841 0.2089 0.2834 0.5284 0.2271 0.5253 0.3871 0.3048 0.2806 0.4399 0.5255 0.2150 0.2890 0.2457 0.1998 0.2242 0.4797 0.5353 0.2093 0.2988 0.2534 0.2177 0.2326 0.3019 GLYCO-HYODEOXYCHOLIC ACID/GLYCOURSODEOXYCHOLIC ACID 0.8131 0.6699 0.6307 0.5934 0.8122 0.5523 0.5602 0.5779 1.0712 0.5483 0.6216 0.8329 1.2761 0.6450 1.4293 0.7336 0.6168 0.5486 0.7893 0.0000 0.6385 0.8585 0.7305 0.5935 0.5540 0.7830 0.5715 0.6052 0.8109 0.7525 0.6479 0.6908 0.8991 Glycolithocholic acid 7.0817 2.6354 5.2029 11.2252 17.0736 5.7512 8.9220 10.8989 0.9124 0.4660 0.5287 1.2169 4.1215 2.3149 3.5571 10.5172 9.2938 10.3143 1.8650 1.3301 0.5441 0.7316 0.6220 0.5058 0.4546 24.1035 7.5168 0.8315 3.0126 0.6413 0.5511 0.5887 0.7641 g-Muricholic acid (hyocholic acid) 0.1320 0.1103 0.1022 0.0972 0.1369 0.0960 0.0920 0.0972 0.1878 0.0959 0.1088 0.1455 0.2174 0.1056 0.2463 0.1232 0.1029 0.0901 0.1320 0.2737 0.1120 0.1505 0.1280 0.1041 0.0935 0.1345 0.0954 0.1026 0.1369 0.1320 0.1134 0.1212 0.1572 Hyodeoxycholic acid 74.2425 38.6060 47.1923 163.3613 128.8817 20.7121 549.6782 102.6577 0.0000 0.0000 0.0000 0.0000 85.0423 20.8939 17.8980 28.1836 86.8339 109.1747 63.5099 0.0000 0.0000 0.0000 0.0000 0.0000 20.6314 118.7700 68.4086 15.1735 21.9773 0.0000 0.0000 0.0000 0.0732 Lithocholic acid 13.9205 6.0719 8.7284 18.1403 22.3268 8.1750 40.9070 26.2525 0.3288 0.1634 0.2030 0.2828 15.2069 6.3542 4.4328 10.7403 9.0541 11.1195 8.5371 0.4835 0.2253 0.2694 0.2225 0.1792 6.2697 30.7108 10.3798 3.2535 3.7896 0.2394 0.2168 0.2194 0.3460 Taurochenodeoxycholic acid 2.7671 2.5192 3.7487 2.3086 4.2787 1.1434 2.7434 1.8672 1.6843 1.4427 1.2621 1.5452 2.0057 1.5376 2.5015 2.3739 0.8545 3.1022 1.6455 2.0487 1.1572 1.3645 1.7433 0.7060 1.2495 1.6712 0.9754 1.5173 2.9549 1.4876 1.4113 1.2362 1.8385 Taurocholic acid 3.2639 5.8144 6.1324 7.5667 9.2089 0.7299 8.4607 2.1268 3.1016 6.7458 5.8605 3.3904 3.4707 2.7253 1.2875 4.3453 1.0912 4.7669 2.3997 3.0579 3.9818 3.0856 3.3902 0.6499 1.6923 0.7982 4.6940 2.0951 5.1886 5.1486 3.8263 3.3749 6.0442 Taurodeoxycholic acid 2.7740 1.7694 6.3940 10.1430 6.8509 0.9969 13.4384 2.2088 0.9185 0.4692 0.5322 0.7118 1.8711 0.8682 1.2051 3.5626 1.5930 5.3779 1.5865 1.3390 0.5478 0.7365 0.6261 0.5092 1.0864 1.1889 4.0109 0.7267 2.9456 0.6456 0.5548 0.5927 0.7692 Taurolithocolic acid 0.5724 0.4311 0.4620 0.6215 0.7041 0.3744 1.0851 0.4616 0.6537 0.3324 0.3771 0.5044 0.9315 0.3923 0.8776 0.5604 0.3568 0.4510 0.4577 0.9488 0.3881 0.5218 0.4545 0.3608 0.3408 0.4663 0.3305 0.3558 0.5136 0.4574 0.3931 0.4228 0.5450 Tauroursodeoxycholic acid/Tauro-hyodeoxycholic acid 4.7238 3.6945 6.5033 3.3430 11.5001 0.8727 3.2427 2.4025 0.2048 0.7209 0.5615 0.4731 1.6635 1.0447 2.6422 3.6977 0.5154 4.8797 1.9086 0.0507 0.5066 0.2239 1.2636 0.0000 0.5320 0.7177 0.5456 1.7925 5.2599 0.6023 0.6768 0.7436 1.1585 w-Muricholic acid 101.5756 70.6187 50.9380 99.7097 146.7953 50.4968 162.0692 68.9571 0.0000 0.0000 0.0000 0.0000 124.2773 71.0447 87.7668 91.8691 77.7729 108.5399 127.4876 0.0000 0.0000 0.0000 0.0000 0.0000 42.4009 92.0903 92.3630 40.9875 57.6772 0.0000 0.0000 0.8148 0.0095 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 a-Muricholic acid 53477700 aMCA UM_Target_ID b-Muricholic acid 5283853 bMCA UM_Target_ID Chenodeoxycholic acid 10133 CDCA UM_Target_ID Cholic acid 221493 CA UM_Target_ID Deoxycholic acid 6742 DCA UM_Target_ID Glychocholic acid 10140 GCA UM_Target_ID Glycochenodeoxycholic acid 9548796 GCDCA UM_Target_ID Glycodeoxycholic acid 18602029 GDCA UM_Target_ID GLYCO-HYODEOXYCHOLIC ACID/GLYCOURSODEOXYCHOLIC ACID 12310288 GHDCA/GUDCA UM_Target_ID Glycolithocholic acid 115245 GLCA UM_Target_ID g-Muricholic acid (hyocholic acid) 92805 HCA UM_Target_ID Hyodeoxycholic acid 16219478 HDCA UM_Target_ID Lithocholic acid 9903 LCA UM_Target_ID Taurochenodeoxycholic acid 54608447 TCDCA UM_Target_ID Taurocholic acid 6675 TCA UM_Target_ID Taurodeoxycholic acid 10594 TDCA UM_Target_ID Taurolithocolic acid 10595 TLCA UM_Target_ID Tauroursodeoxycholic acid/Tauro-hyodeoxycholic acid 9848818 THDCA/TUDCA UM_Target_ID w-Muricholic acid 5283851 wMCA UM_Target_ID METABOLITES_END #END