#METABOLOMICS WORKBENCH araskind_20170619_175723 DATATRACK_ID:1037 STUDY_ID:ST000733 ANALYSIS_ID:AN001147 PROJECT_ID:PR000530 VERSION 1 CREATED_ON July 3, 2017, 11:05 am #PROJECT PR:PROJECT_TITLE Microbial changes following fecal microbiota transplantation (FMT) in patients PR:PROJECT_TITLE with Clostridium difficile PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Microbial changes following fecal microbiota transplantation in patients with PR:PROJECT_SUMMARY recurrent Clostridium difficile infection 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 Microbial changes following fecal microbiota transplantation in patients with ST:STUDY_TITLE recurrent C. difficile infection ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Fecal samples were collected from patients with recurrent Clostridium difficile ST:STUDY_SUMMARY infection before and after treatment with fecal microbiota transplantation. ST:STUDY_SUMMARY Fecal samples were frozen immediately after collections, and later put into ST:STUDY_SUMMARY ~50mg aliquots for later analysis (at -80 C). 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 21 ST:TOTAL_SUBJECTS 11 #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 SU0014864 S00022742 patient type:recipient | sample type:pre patientID=R1; sample_n=1 SUBJECT_SAMPLE_FACTORS SU0014864 S00022743 patient type:recipient | sample type:pre patientID=R1; sample_n=2 SUBJECT_SAMPLE_FACTORS SU0014864 S00022744 patient type:recipient | sample type:post patientID=R1; sample_n=3 SUBJECT_SAMPLE_FACTORS SU0014864 S00022745 patient type:recipient | sample type:post patientID=R1; sample_n=4 SUBJECT_SAMPLE_FACTORS SU0014864 S00022746 patient type:recipient | sample type:post patientID=R1; sample_n=5 SUBJECT_SAMPLE_FACTORS SU0014864 S00022747 patient type:recipient | sample type:post patientID=R1; sample_n=6.0 SUBJECT_SAMPLE_FACTORS SU0014865 S00022748 patient type:donor | sample type:donor patientID=d1; sample_n=1 SUBJECT_SAMPLE_FACTORS SU0014865 S00022749 patient type:donor | sample type:donor patientID=d1; sample_n=2 SUBJECT_SAMPLE_FACTORS SU0014866 S00022750 patient type:recipient | sample type:pre patientID=R2; sample_n=1 SUBJECT_SAMPLE_FACTORS SU0014866 S00022751 patient type:recipient | sample type:pre patientID=R2; sample_n=2 SUBJECT_SAMPLE_FACTORS SU0014866 S00022752 patient type:recipient | sample type:post patientID=R2; sample_n=3 SUBJECT_SAMPLE_FACTORS SU0014866 S00022753 patient type:recipient | sample type:post patientID=R2; sample_n=4 SUBJECT_SAMPLE_FACTORS SU0014866 S00022754 patient type:recipient | sample type:post patientID=R2; sample_n=5 SUBJECT_SAMPLE_FACTORS SU0014866 S00022755 patient type:recipient | sample type:post patientID=R2; sample_n=6.0 SUBJECT_SAMPLE_FACTORS SU0014867 S00022756 patient type:donor | sample type:donor patientID=d2; sample_n=1 SUBJECT_SAMPLE_FACTORS SU0014867 S00022757 patient type:donor | sample type:donor patientID=d2; sample_n=2 SUBJECT_SAMPLE_FACTORS SU0014868 S00022758 patient type:recipient | sample type:pre patientID=R3; sample_n=1 SUBJECT_SAMPLE_FACTORS SU0014868 S00022759 patient type:recipient | sample type:pre patientID=R3; sample_n=2 SUBJECT_SAMPLE_FACTORS SU0014868 S00022760 patient type:recipient | sample type:post patientID=R3; sample_n=4 SUBJECT_SAMPLE_FACTORS SU0014868 S00022761 patient type:recipient | sample type:post patientID=R3; sample_n=5 SUBJECT_SAMPLE_FACTORS SU0014868 S00022762 patient type:recipient | sample type:post patientID=R3; sample_n=6.0 SUBJECT_SAMPLE_FACTORS SU0014869 S00022763 patient type:donor | sample type:donor patientID=d3; sample_n=1 SUBJECT_SAMPLE_FACTORS SU0014869 S00022764 patient type:donor | sample type:donor patientID=d3; sample_n=2 SUBJECT_SAMPLE_FACTORS SU0014870 S00022765 patient type:recipient | sample type:pre patientID=R4; sample_n=1 SUBJECT_SAMPLE_FACTORS SU0014870 S00022766 patient type:recipient | sample type:pre patientID=R4; sample_n=2 SUBJECT_SAMPLE_FACTORS SU0014870 S00022767 patient type:recipient | sample type:post patientID=R4; sample_n=3 SUBJECT_SAMPLE_FACTORS SU0014870 S00022768 patient type:recipient | sample type:post patientID=R4; sample_n=4 SUBJECT_SAMPLE_FACTORS SU0014870 S00022769 patient type:recipient | sample type:post patientID=R4; sample_n=5 SUBJECT_SAMPLE_FACTORS SU0014870 S00022770 patient type:recipient | sample type:post patientID=R4; sample_n=6.0 SUBJECT_SAMPLE_FACTORS SU0014871 S00022771 patient type:donor | sample type:donor patientID=d4; sample_n=1 SUBJECT_SAMPLE_FACTORS SU0014871 S00022772 patient type:donor | sample type:donor patientID=d4; sample_n=2 SUBJECT_SAMPLE_FACTORS SU0014872 S00022773 patient type:recipient | sample type:pre patientID=R5; sample_n=2 SUBJECT_SAMPLE_FACTORS SU0014872 S00022774 patient type:recipient | sample type:post patientID=R5; sample_n=3 SUBJECT_SAMPLE_FACTORS SU0014872 S00022775 patient type:recipient | sample type:post patientID=R5; sample_n=4 SUBJECT_SAMPLE_FACTORS SU0014872 S00022776 patient type:recipient | sample type:post patientID=R5; sample_n=5 SUBJECT_SAMPLE_FACTORS SU0014872 S00022777 patient type:recipient | sample type:post patientID=R5; sample_n=6.0 SUBJECT_SAMPLE_FACTORS SU0014873 S00022778 patient type:donor | sample type:donor patientID=d5; sample_n=1 SUBJECT_SAMPLE_FACTORS SU0014873 S00022779 patient type:donor | sample type:donor patientID=d5; sample_n=2 SUBJECT_SAMPLE_FACTORS SU0014874 S00022780 patient type:recipient | sample type:pre patientID=R6; sample_n=1 SUBJECT_SAMPLE_FACTORS SU0014874 S00022781 patient type:recipient | sample type:pre patientID=R6; sample_n=2 SUBJECT_SAMPLE_FACTORS SU0014874 S00022782 patient type:recipient | sample type:post patientID=R6; sample_n=3 SUBJECT_SAMPLE_FACTORS SU0014874 S00022783 patient type:recipient | sample type:post patientID=R6; sample_n=4 SUBJECT_SAMPLE_FACTORS SU0014874 S00022784 patient type:recipient | sample type:post patientID=R6; sample_n=5 SUBJECT_SAMPLE_FACTORS SU0014874 S00022785 patient type:recipient | sample type:post patientID=R6; sample_n=6.0 #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 nmol/mg MS_METABOLITE_DATA_START Samples S00022742 S00022743 S00022744 S00022745 S00022746 S00022747 S00022748 S00022749 S00022750 S00022751 S00022752 S00022753 S00022754 S00022755 S00022756 S00022757 S00022758 S00022759 S00022760 S00022761 S00022762 S00022763 S00022764 S00022765 S00022766 S00022767 S00022768 S00022769 S00022770 S00022771 S00022772 S00022773 S00022774 S00022775 S00022776 S00022777 S00022778 S00022779 S00022780 S00022781 S00022782 S00022783 S00022784 S00022785 Factors patient type:recipient | sample type:pre patient type:recipient | sample type:pre patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:donor | sample type:donor patient type:donor | sample type:donor patient type:recipient | sample type:pre patient type:recipient | sample type:pre patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:donor | sample type:donor patient type:donor | sample type:donor patient type:recipient | sample type:pre patient type:recipient | sample type:pre patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:donor | sample type:donor patient type:donor | sample type:donor patient type:recipient | sample type:pre patient type:recipient | sample type:pre patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:donor | sample type:donor patient type:donor | sample type:donor patient type:recipient | sample type:pre patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:donor | sample type:donor patient type:donor | sample type:donor patient type:recipient | sample type:pre patient type:recipient | sample type:pre patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:recipient | sample type:post patient type:recipient | sample type:post PROPIONIC ACID 2.981366171 2.966012082 7.690544618 3.75343085 4.214358159 4.360112327 2.358355325 2.491753409 2.306896912 1.675169764 7.531725194 1.77304623 8.143426935 3.630226391 8.824969578 4.531738109 3.161104917 3.233960216 4.176741098 5.786913206 2.939294825 4.46602094 2.376136544 9.279630614 7.74544536 25.03505652 9.680631877 9.087508492 18.82420011 8.158408631 10.38991639 5.236491199 7.834346583 11.53241344 4.660808365 6.45814511 7.481013519 12.9786714 2.970392979 4.00085988 7.327814394 4.066696388 6.551429725 3.932768166 ISOVALERIC ACID .875328412 .782000104 2.717383556 1.362019505 1.576320119 1.739691311 .863971156 .92736157 .881611385 .638060948 1.023800038 .58702379 .957717434 .692138591 2.231155094 .70448296 1.089354221 1.067570567 1.145447502 1.698930292 .922689873 3.220998369 .90911463 3.393241086 2.54594243 4.372061157 2.400179838 1.913904248 1.038948382 1.493446117 .635870745 1.906316962 3.691486857 3.149222205 .831633324 2.675823023 .453297999 1.146629399 .912654792 1.162168716 2.676416386 1.302081897 2.67914202 1.593800776 ACETIC ACID 5.030424847 7.09812871 6.345224594 10.13708527 10.65162989 9.40268232 2.817962402 4.314730339 2.801743238 2.555149223 18.42141435 5.763887209 23.62272623 15.33584258 40.53143662 15.00864239 5.847870362 4.657275069 16.3783891 15.4803779 9.911077003 21.64748141 8.115472636 34.96226394 17.67976886 47.49766072 30.71433993 30.08665526 43.29321418 31.64775541 18.3571274 9.349023114 28.06667066 30.88644945 23.46324493 14.77769788 20.86118681 38.11974356 7.512558574 7.861931229 17.99830919 20.470933 34.03457624 22.56534768 BUTYRIC ACID 1.897851836 2.295586843 3.367792165 2.304452933 4.315608184 5.501840394 1.07674621 1.171272784 1.067058827 .772876823 5.499648926 .770690652 6.018078691 2.258961972 14.7537329 3.423972209 1.156297532 1.202762115 4.638834658 6.490036533 2.085043841 5.358667761 1.783170073 6.62656508 5.375612294 11.34852463 6.982331524 6.748253366 9.813411133 11.05126138 4.899608643 5.173164875 7.655683505 7.962746407 13.83619783 3.917136979 2.812187232 5.050558145 1.501324466 1.6643959 4.648218604 5.070676897 8.546049891 4.652537262 OCTANOIC ACID .030405003 .034460377 .14936881 .04638661 .057001134 .094316102 .043021042 .041289643 .047544506 0 .041719094 .031819554 .025941794 .037226638 .037537229 .018028296 .04303008 .039620428 .41518383 .234186898 .032339084 .063321154 .032241029 .037452223 .115880003 .681063749 .082477631 .091445422 .034634852 .073584693 .035953931 .092859127 .089390323 .090351259 .155396477 .0414801 0 0 0 0 .038406004 .036152088 0 .032531899 VALERIC ACID .489508707 .468859211 2.218018078 1.215903918 1.409694873 1.53976871 .712811978 .782342187 .71665944 .518993787 .801135274 .477323398 .462395531 .538601641 2.950444235 .828459947 .50495745 .642549251 1.24862755 1.708861194 .887593492 3.593082462 .900298679 .666511012 .848762753 4.627379238 3.363407376 2.524822338 1.422398115 1.880630369 .801478378 .557338087 3.802300881 3.420153741 .755545556 .969809988 .73465236 1.542635387 .58423913 .797720318 3.370389862 1.607931513 3.145443667 1.979928829 HEPTANOIC ACID .048067187 .045576568 .220033898 .064572181 .085523283 .123208558 .062004848 .059553246 .071095967 .051746158 .060253418 .047396227 .038275742 .052422904 .046209513 .0237765 .049321679 .063427718 .063303453 .073639095 .047022327 .117301053 .053999047 .050326382 .078468776 .38067039 .199098866 .152074977 .044412053 .115547322 .056942739 .047066245 .056852697 .104314556 .058281239 .070356158 .023473837 .059627647 .049634412 0 .061695121 0 .059831103 .03806978 HEXANOIC ACID .187514146 .179173445 .863843443 .261835157 .39270688 .726486657 .248858898 .239275925 .281830843 .208050369 .242569166 .188170728 .15384413 .208445268 .197226058 .101374441 .195577346 .251732265 .274389307 .322044423 .192832099 .482741939 .233874284 .201313103 .31130244 1.651915706 .858397803 .714669802 .196493709 .824870998 .42426398 .189462974 .310928696 .44784608 .41768387 .284800388 .095503041 .243700119 .200367924 .304689078 .258760095 .221627159 .269143707 .166174562 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