#METABOLOMICS WORKBENCH araskind_20150611_9584901_mwtab.txt DATATRACK_ID:312 STUDY_ID:ST000207 ANALYSIS_ID:AN000309 PROJECT_ID:PR000174 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Mice inoculation with human microbiota (AMY1) PR:PROJECT_SUMMARY Mice were inoculated with human microbiota PR:INSTITUTE Cornell University PR:DEPARTMENT Microbiology PR:LABORATORY Ley Lab PR:LAST_NAME Ley PR:FIRST_NAME Ruth PR:ADDRESS Ithaca, NY PR:EMAIL rel222@cornell.edu PR:PHONE 607-255-4954 #STUDY ST:STUDY_TITLE Mice inoculation with human microbiota (MouseAMY1.1SCFA.Cecal) ST:STUDY_SUMMARY Cecal contents were collected and frozen at -80. Aliquots were made on dry ice ST:STUDY_SUMMARY then aliquots were stored at -80 until shipment on dry ice. 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 19 ST:TOTAL_SUBJECTS 19 #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 SU0005050 S00016358 AMY1group:high donor=hs52 SUBJECT_SAMPLE_FACTORS SU0005052 S00016360 AMY1group:high donor=hs55 SUBJECT_SAMPLE_FACTORS SU0005054 S00016362 AMY1group:high donor=hs7 SUBJECT_SAMPLE_FACTORS SU0005056 S00016364 AMY1group:high donor=hs8 SUBJECT_SAMPLE_FACTORS SU0005058 S00016366 AMY1group:high donor=hs39 SUBJECT_SAMPLE_FACTORS SU0005060 S00016368 AMY1group:high donor=hs2 SUBJECT_SAMPLE_FACTORS SU0005062 S00016370 AMY1group:high donor=hs6 SUBJECT_SAMPLE_FACTORS SU0005064 S00016372 AMY1group:high donor=hs64 SUBJECT_SAMPLE_FACTORS SU0005066 S00016374 AMY1group:high donor=hs91,T6 SUBJECT_SAMPLE_FACTORS SU0005067 S00016375 AMY1group:high donor=hs99 SUBJECT_SAMPLE_FACTORS SU0005051 S00016359 AMY1group:low donor=hs36 SUBJECT_SAMPLE_FACTORS SU0005053 S00016361 AMY1group:low donor=hs42 SUBJECT_SAMPLE_FACTORS SU0005055 S00016363 AMY1group:low donor=hs69 SUBJECT_SAMPLE_FACTORS SU0005057 S00016365 AMY1group:low donor=hs80 SUBJECT_SAMPLE_FACTORS SU0005059 S00016367 AMY1group:low donor=hs90 SUBJECT_SAMPLE_FACTORS SU0005061 S00016369 AMY1group:low donor=hs95 SUBJECT_SAMPLE_FACTORS SU0005063 S00016371 AMY1group:low donor=hs97 SUBJECT_SAMPLE_FACTORS SU0005065 S00016373 AMY1group:low donor=hs111 SUBJECT_SAMPLE_FACTORS SU0005068 S00016376 AMY1group:low donor=hs88 #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Cecum #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 EX00357-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 pmol/mg sample MS_METABOLITE_DATA_START Samples S00016358 S00016360 S00016362 S00016364 S00016366 S00016368 S00016370 S00016372 S00016374 S00016375 S00016359 S00016361 S00016363 S00016365 S00016367 S00016369 S00016371 S00016373 S00016376 Factors AMY1group:high AMY1group:high AMY1group:high AMY1group:high AMY1group:high AMY1group:high AMY1group:high AMY1group:high AMY1group:high AMY1group:high AMY1group:low AMY1group:low AMY1group:low AMY1group:low AMY1group:low AMY1group:low AMY1group:low AMY1group:low AMY1group:low aceticacid 38.6111 182.4467 161.5278 124.4721 84.9619 53.6529 58.5291 77.7047 145.0406 122.0978 55.4854 137.8649 136.3328 146.3568 101.4954 222.2087 48.1975 157.6527 132.1501 butyricacid 3.1621 0.0000 6.0033 6.1113 2.3617 37.8407 0.0000 51.0041 0.0000 80.1870 0.0000 14.6917 0.0000 2.7172 0.0000 2.4146 7.6726 24.5764 2.3227 heptanoicacid 0.1883 0.2481 0.1906 0.1250 0.1120 0.0935 0.0843 0.0000 0.1371 0.1345 0.1840 0.1178 0.1388 0.1467 0.1200 0.1627 0.2030 0.1073 0.1301 hexanoicacid 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3.1525 4.8525 5.3562 5.3041 0.0000 0.0000 0.0000 0.0000 0.0000 6.1532 0.0000 4.1820 5.2678 iso-butyricacid 0.8252 0.5060 1.6907 2.2616 2.8569 1.5799 0.5784 1.7938 0.9318 2.3941 2.4363 2.6642 0.3394 1.0633 1.0598 1.7777 1.9996 1.3326 1.0839 isovalericacid 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 propionic acid 19.3391 75.8303 32.6141 32.9506 35.7320 30.2458 32.9622 24.1464 61.1532 32.5015 17.1462 36.1480 20.9992 41.6478 70.0322 88.8808 23.5358 25.3238 41.0629 valericacid 2.4366 0.0000 1.9966 4.2522 0.0000 4.6847 4.7057 3.0494 0.0000 0.0000 0.5377 6.9706 0.0000 0.0000 0.0000 0.0000 4.6901 0.0000 0.0000 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 iso-butyricacid 6590 iso-butyrate 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