#METABOLOMICS WORKBENCH araskind_20170802_132145 DATATRACK_ID:1179 STUDY_ID:ST000831 ANALYSIS_ID:AN001325 PROJECT_ID:PR000592 VERSION 1 CREATED_ON August 8, 2017, 3:39 pm #PROJECT PR:PROJECT_TITLE The role of the gut microbiota in secondary bile acid metabolism PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Targeted bile acid metabolomics PR:INSTITUTE North Carolina State University PR:DEPARTMENT Population Health and Pathobiology PR:LABORATORY Theriot Lab PR:LAST_NAME Theriot PR:FIRST_NAME Casey PR:ADDRESS Raleigh, NC PR:EMAIL caseythe@umich.edu PR:PHONE 734-763-4133 #STUDY ST:STUDY_TITLE Bile acid analysis of the germ free mouse gut ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY We are interested in understanding the bile acid profiles from the feces of ST:STUDY_SUMMARY fecal microbiota transplant FMT patients that successfully recover from ST:STUDY_SUMMARY recurrent C. difficile infection. We have are submitting fecal samples from ST:STUDY_SUMMARY patients prior to their FMT and post FMT. We are also interested in the bile ST:STUDY_SUMMARY acid profiles of the donor stool that is used in successful transplants. Bile ST:STUDY_SUMMARY acids are important for C. difficile spore 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 4 #SUBJECT SU:SUBJECT_TYPE MOUSE SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0013551 S00020458 GENDER:male | Sample type:Serum SUBJECT_SAMPLE_FACTORS SU0013551 S00020459 GENDER:male | Sample type:Ileum SUBJECT_SAMPLE_FACTORS SU0013551 S00020460 GENDER:male | Sample type:Cecum SUBJECT_SAMPLE_FACTORS SU0013551 S00020461 GENDER:male | Sample type:Colon SUBJECT_SAMPLE_FACTORS SU0013555 S00020462 GENDER:male | Sample type:Serum SUBJECT_SAMPLE_FACTORS SU0013555 S00020463 GENDER:male | Sample type:Ileum SUBJECT_SAMPLE_FACTORS SU0013555 S00020464 GENDER:male | Sample type:Cecum SUBJECT_SAMPLE_FACTORS SU0013555 S00020465 GENDER:male | Sample type:Colon SUBJECT_SAMPLE_FACTORS SU0013559 S00020466 GENDER:female | Sample type:Serum SUBJECT_SAMPLE_FACTORS SU0013559 S00020467 GENDER:female | Sample type:Ileum SUBJECT_SAMPLE_FACTORS SU0013559 S00020468 GENDER:female | Sample type:Cecum SUBJECT_SAMPLE_FACTORS SU0013559 S00020469 GENDER:female | Sample type:Colon SUBJECT_SAMPLE_FACTORS SU0013563 S00020470 GENDER:female | Sample type:Serum SUBJECT_SAMPLE_FACTORS SU0013563 S00020471 GENDER:female | Sample type:Ileum SUBJECT_SAMPLE_FACTORS SU0013563 S00020472 GENDER:female | Sample type:Cecum SUBJECT_SAMPLE_FACTORS SU0013563 S00020473 GENDER:female | Sample type:Colon #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A014_BileAcids.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent CH:COLUMN_NAME Waters Xbridge BEH C18 (150 x 2.1mm, 3.5um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A014_BileAcids.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6490A QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ug/100 mg MS_METABOLITE_DATA_START Samples S00020458 S00020459 S00020460 S00020461 S00020462 S00020463 S00020464 S00020465 S00020466 S00020467 S00020468 S00020469 S00020470 S00020471 S00020472 S00020473 Factors GENDER:male | Sample type:Serum GENDER:male | Sample type:Ileum GENDER:male | Sample type:Cecum GENDER:male | Sample type:Colon GENDER:male | Sample type:Serum GENDER:male | Sample type:Ileum GENDER:male | Sample type:Cecum GENDER:male | Sample type:Colon GENDER:female | Sample type:Serum GENDER:female | Sample type:Ileum GENDER:female | Sample type:Cecum GENDER:female | Sample type:Colon GENDER:female | Sample type:Serum GENDER:female | Sample type:Ileum GENDER:female | Sample type:Cecum GENDER:female | Sample type:Colon GLYCOCHOLIC ACID .021208083 .040460635 .01349259 .153619808 .006392 .001608354 TAURO-ALPHA-MURICHOLIC ACID 3694.856555 10207.83896 461.4481143 697.1314031 422.1309843 13591.98238 380.5378438 1429.562249 2576.866174 13195.44965 1612.843087 742.6563431 1318.352392 1646.840563 722.4191228 728.5295493 TAUROHYOCHOLATE 1.977865408 2.831335513 GLYCOURSODEOXYCHOLIC ACID .003632765 .005906956 .00044412 .001166447 .006168788 .009419926 .001453318 .003241221 .042237104 .014781372 .00083809 .000313264 .005902396 .004036739 .005249148 .003681359 GLYCOCHENODEOXYCHOLIC ACID .008273648 .101389558 .011271944 .031606845 .010626778 .088418236 .003684142 .066277472 .113149242 .253005985 .038338059 .111013316 .007843834 .048638701 .093578267 .030181412 AM022340 .094337228 .137893513 .145218662 .028781891 TAURO-BETA-MURICHOLIC ACID 12727.5403 13709.47372 14854.60097 CHOLIC ACID .082814653 .065561228 .082648117 DEOXYCHOLIC ACID 1002.567566 9.870954295 1.823439553 4.700920495 229.2454362 2.666636744 1.597798431 7.702573705 2240.34552 7.424651364 1.823512965 2.370185978 494.3253265 1.675859338 4.53369445 6.46055617 TAURODEOXYCHOLATE .029915687 .003328194 .004332411 .03237387 .044036655 .002595362 .010649565 .175919731 .005442498 .0594831 .018611752 .021525258 .109817506 .016965345 GLYCODEOXYCHOLATE .016561855 .003517807 .000910228 .000329806 .024973739 .007938888 .000708843 .004062935 .095661517 .003541374 .000471847 .003093294 .004459276 .001891916 .00776445 .002590751 URSODEOXYCHOLIC ACID .824611291 .438884041 1.092933937 TAUROCHENODEOXYCHOLIC ACID 10.80416681 14.52994407 .363887175 .360805376 6.320139778 17.01328553 .237648092 10.41731673 15.12336611 39.89809545 4.153903249 .616273132 2.280195824 3.818616948 .562088248 5.913915573 TAUROLITHOCHOLATE 18.53570721 1.407730066 .402395405 .413591186 20.62902501 3.267904114 .348809618 2.046671953 101.519801 2.34478846 .537989281 2.879434071 6.400577678 1.776342315 4.881650238 2.291998743 HYODEOXYCHOLIC ACID .030549531 OMEGA-MURICHOLIC ACID .005376306 .004043234 .003985591 ALPHA-MURICHOLIC ACID .010772993 .001672917 .004725972 .009735695 .007409877 .009899471 BETA-MURICHOLIC ACID .489718945 .206608834 .027111908 .032404243 .223376518 .104759612 .018382187 .012322824 .449544297 .064882176 .017025563 .021256046 .408598939 .018334609 .022954562 .020919558 TAUROCHOLIC ACID 46.00705053 503.7843581 4.950351634 7.690779559 8.340292324 753.8166825 5.344136626 10.72912696 47.60432161 937.5690732 15.49367623 10.57045763 43.58015148 16.70077914 11.89639349 11.18461579 HYOCHOLIC ACID .073518862 .140797703 .006359244 .008570042 .005479948 .006503976 .007075803 TAUROURSODEOXYCHOLIC ACID 3.861090332 25.22019695 .324994893 .433601351 1.348492904 34.71639603 .298436823 3.429806203 5.215688087 41.20998519 2.355763237 .415840501 2.188000313 2.596108063 .390023165 1.098672777 LITHOCHOLIC ACID .072271438 .05223498 .028193315 .010048904 .056170151 .023930229 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 GLYCOCHOLIC ACID 10140 TAURO-ALPHA-MURICHOLIC ACID 101657566 TAUROHYOCHOLATE 11954195 GLYCOURSODEOXYCHOLIC ACID 12310288 GLYCOCHENODEOXYCHOLIC ACID 12544 AM022340 13955647 TAURO-BETA-MURICHOLIC ACID 21124703 CHOLIC ACID 221493 DEOXYCHOLIC ACID 222528 TAURODEOXYCHOLATE 2733768 GLYCODEOXYCHOLATE 3035026 URSODEOXYCHOLIC ACID 31401 TAUROCHENODEOXYCHOLIC ACID 387316 TAUROLITHOCHOLATE 439763 HYODEOXYCHOLIC ACID 5283820 OMEGA-MURICHOLIC ACID 5283851 ALPHA-MURICHOLIC ACID 5283852 BETA-MURICHOLIC ACID 5283853 TAUROCHOLIC ACID 6675 HYOCHOLIC ACID 92805 TAUROURSODEOXYCHOLIC ACID 9848818 LITHOCHOLIC ACID 9903 METABOLITES_END #END