#METABOLOMICS WORKBENCH araskind_20151217_9272361_mwtab.txt DATATRACK_ID:464 efahy_20151229_090511 STUDY_ID:ST000303 ANALYSIS_ID:AN000482 PROJECT_ID:PR000137 VERSION 1 CREATED_ON December 29, 2015, 9:05 am #PROJECT PR:PROJECT_TITLE Targeted bile acid metabolomics PR:PROJECT_SUMMARY Alterations in fecal bile acids before and after fecal transplant PR:INSTITUTE University of Michigan PR:DEPARTMENT Internal Medicine PR:LABORATORY Young Lab PR:LAST_NAME Young PR:FIRST_NAME Vincent PR:ADDRESS Ann Arbor, MI PR:EMAIL youngvi@med.umich.edu PR:PHONE 734-764-2237 #STUDY ST:STUDY_TITLE Human fecal bile acid profiles before and after fecal transplant ST:STUDY_SUMMARY Understand the bile acid profiles from the feces of fecal microbiota transplant ST:STUDY_SUMMARY FMT patients that successfully recover from recurrent C. difficile infection. ST:STUDY_SUMMARY Submitting fecal samples from patients prior to their FMT and post FMT. ST:STUDY_SUMMARY Interested in the bile acid profiles of the donor stool that is used in ST:STUDY_SUMMARY successful transplants. Bile acids are important for C. difficile spore ST:STUDY_SUMMARY germination and outgrowth. 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 15 #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 SU0012181 S00018180 Transplant type:pre-FMT SUBJECT_SAMPLE_FACTORS SU0012182 S00018181 Transplant type:post-FMT SUBJECT_SAMPLE_FACTORS SU0012183 S00018182 Transplant type:post-FMT SUBJECT_SAMPLE_FACTORS SU0012184 S00018183 Transplant type:post-FMT SUBJECT_SAMPLE_FACTORS SU0012185 S00018184 Transplant type:donor non-homogenized SUBJECT_SAMPLE_FACTORS SU0012186 S00018185 Transplant type:donor homogenized SUBJECT_SAMPLE_FACTORS SU0012187 S00018186 Transplant type:pre-FMT SUBJECT_SAMPLE_FACTORS SU0012188 S00018187 Transplant type:pre-FMT SUBJECT_SAMPLE_FACTORS SU0012189 S00018188 Transplant type:post-FMT SUBJECT_SAMPLE_FACTORS SU0012190 S00018189 Transplant type:post-FMT SUBJECT_SAMPLE_FACTORS SU0012191 S00018190 Transplant type:post-FMT SUBJECT_SAMPLE_FACTORS SU0012192 S00018191 Transplant type:mouse ileum SUBJECT_SAMPLE_FACTORS SU0012193 S00018192 Transplant type:mouse ileum SUBJECT_SAMPLE_FACTORS SU0012194 S00018193 Transplant type:mouse cecum SUBJECT_SAMPLE_FACTORS SU0012195 S00018194 Transplant type:mouse cecum #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Cecum #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Bile Acids-20150305.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Waters Acquity BEH C18 (50 x 2mm, 1.7um) CH:METHODS_FILENAME 2014-07-30-Bile_acid-full-BEH-C18-I.m #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE Bile Acids-20150305.docx #MS MS:MS_COMMENTS - MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:INSTRUMENT_NAME Agilent 6410A QQQ MS:INSTRUMENT_NAME Agilent QQQ 6410A #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ug/100 mg MS_METABOLITE_DATA_START Samples S00018180 S00018181 S00018182 S00018183 S00018184 S00018185 S00018186 S00018187 S00018188 S00018189 S00018190 S00018191 S00018192 S00018193 S00018194 Factors Transplant type:pre-FMT Transplant type:post-FMT Transplant type:post-FMT Transplant type:post-FMT Transplant type:donor non-homogenized Transplant type:donor homogenized Transplant type:pre-FMT Transplant type:pre-FMT Transplant type:post-FMT Transplant type:post-FMT Transplant type:post-FMT Transplant type:mouse ileum Transplant type:mouse ileum Transplant type:mouse cecum Transplant type:mouse cecum a-Muricholic acid 0.007749 0.0418 0.33945 0.4942 b-Muricholic acid 0.02669 0.1485 0.8804 0.7931 Cholic acid >200000 0.2247 0.7124 14.5606 >200000 8.0546 >200000 >200000 0.3038 0.2449 0.07055 0.4848 8.1868 0.982 0.5893 Chenodeoxycholic acid >200000 >200000 >200000 >200000 >200000 >200000 2.9839 3.2772 >200000 >200000 >200000 >200000 0.2154 >200000 4.6905 Deoxycholic acid >200000 >200000 >200000 >200000 >200000 >200000 3.0177 3.0727 >200000 >200000 >200000 >200000 0.2266 >200000 47.1113 Glychocholic acid 7.94 0.00734 0.0041 0.0101 0.009384 0.008165 0.01234 1.195 0.05142 Glycochenodeoxycholic acid 27.073 0.3143 0.048 0.008968 0.06 0.02378 0.03902 0.097 0.01287 0.00245 0.0097 0.1475 0.01282 0.10011 Glycodeoxycholic acid 0.01082 0.01927 0.02963 0.04087 0.03958 0.01086 0.01497 0.0131 0.02124 0.04045 0.02822 0.08717 0.01493 0.01463 0.01551 Glycohyodeoxycholic acid 0.000799 0.04437 0.00744 Glycolithocholic acid 0.0675 0.08552 0.08184 0.08719 0.1016 0.08745 0.3164 0.0477 0.2543 0.03156 0.03803 Glycoursodeoxycholic acid 0.0258 0.0185 0.000133 0.00108 0.001303 225.6 0.000236 0.0189 0.000352 g-Muricholic acid (hyocholic acid) 0.12 0.01872 0.2924 0.045 0.2052 0.03074 0.6458 0.5576 0.0104 0.02634 0.001849 1.7773 0.00934 1340 1087 Hyodeoxycholic acid 0.5752 0.929 0.5057 9.8508 0.04122 2.3584 2.2198 Lithocholic acid 0.4905 2.0097 11.3097 7.6328 7.4666 0.2778 1.5939 0.9636 Taurocholic acid 0.4306 0.0104 0.0101 0.0108 0.0899 0.0246 0.00866 0.0104 0.0102 0.096 0.0517 Taurochenodeoxycholic acid 2.4365 0.05131 0.01011 0.005835 0.01048 0.001915 0.09882 0.1122 0.006438 0.005368 0.004308 16.126 5.1696 0.06797 0.0672 Taurodeoxycholic acid 0.00864 0.00436 0.0034 0.01053 0.02811 0.00151 0.00424 0.00356 0.00787 0.1034 0.05495 57.7027 7.6808 0.1981 0.1448 Tauro-hyodeoxycholic acid 0.019 0.124 0.012 0.011 0.0107 0.0004 0.0171 0.0181 0.0108 0.0131 0.0119 >200 28.72 0.174 0.7202 Taurolithocolic acid 0.1262 0.1154 0.3112 0.1037 0.08217 0.02649 0.04725 0.03213 0.03171 0.0885 0.07372 1.0383 0.3639 0.1636 0.09801 Tauroursodeoxycholic acid 0.00494 0.00333 0.00305 0.00277 0.00291 0.00117 0.00459 0.00467 0.00213 0.00345 0.00312 >200 8.72 0.042 0.018 Ursodeoxycholic acid 0.05762 0.5861 1.4462 0.3121 2.2422 0.5004 0.1503 1.0051 0.04053 0.2229 0.4848 18.9178 0.0518 3.3847 0.8418 w-Muricholic acid 0.4433 785.9 24421 7018 >200000 0.8812 0.1181 0.0816 0.0829 0.0486 0.00004 >200 0.0331 3.36 2.95 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name abbreviation PubChem CID a-Muricholic acid aMCA 53477700 b-Muricholic acid bMCA 5283853 Cholic acid CA 221493 Chenodeoxycholic acid CDCA 10133 Deoxycholic acid DCA 6742 Glychocholic acid GCA 10140 Glycochenodeoxycholic acid GCDCA 9548796 Glycodeoxycholic acid GDCA 18602029 Glycohyodeoxycholic acid GHDCA 114611 Glycolithocholic acid GLCA 115245 Glycoursodeoxycholic acid GUDCA 12310288 g-Muricholic acid (hyocholic acid) HCA 92805 Hyodeoxycholic acid HDCA 16219478 Lithocholic acid LCA 9903 Taurocholic acid TCA 6675 Taurochenodeoxycholic acid TCDCA 54608447 Taurodeoxycholic acid TDCA 10594 Tauro-hyodeoxycholic acid THDCA 9848818 Taurolithocolic acid TLCA 10595 Tauroursodeoxycholic acid TUDCA 9848818 Ursodeoxycholic acid UDCA 54285959 w-Muricholic acid wMCA 5283851 METABOLITES_END #END