#METABOLOMICS WORKBENCH araskind_20150611_9329011_mwtab.txt DATATRACK_ID:311 STUDY_ID:ST000206 ANALYSIS_ID:AN000308 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 (AMY1.1SCFA) ST:STUDY_SUMMARY Hepatic portal plasma was collected from each mouse using lithium heparin as an 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 SU0005031 S00016339 AMY1group:high donor=hs52 SUBJECT_SAMPLE_FACTORS SU0005033 S00016341 AMY1group:high donor=hs55 SUBJECT_SAMPLE_FACTORS SU0005035 S00016343 AMY1group:high donor=hs7 SUBJECT_SAMPLE_FACTORS SU0005037 S00016345 AMY1group:high donor=hs8 SUBJECT_SAMPLE_FACTORS SU0005039 S00016347 AMY1group:high donor=hs39 SUBJECT_SAMPLE_FACTORS SU0005041 S00016349 AMY1group:high donor=hs2 SUBJECT_SAMPLE_FACTORS SU0005043 S00016351 AMY1group:high donor=hs6 SUBJECT_SAMPLE_FACTORS SU0005045 S00016353 AMY1group:high donor=hs64 SUBJECT_SAMPLE_FACTORS SU0005047 S00016355 AMY1group:high donor=hs91,T6 SUBJECT_SAMPLE_FACTORS SU0005048 S00016356 AMY1group:high donor=hs99 SUBJECT_SAMPLE_FACTORS SU0005032 S00016340 AMY1group:low donor=hs36 SUBJECT_SAMPLE_FACTORS SU0005034 S00016342 AMY1group:low donor=hs42 SUBJECT_SAMPLE_FACTORS SU0005036 S00016344 AMY1group:low donor=hs69 SUBJECT_SAMPLE_FACTORS SU0005038 S00016346 AMY1group:low donor=hs80 SUBJECT_SAMPLE_FACTORS SU0005040 S00016348 AMY1group:low donor=hs90 SUBJECT_SAMPLE_FACTORS SU0005042 S00016350 AMY1group:low donor=hs95 SUBJECT_SAMPLE_FACTORS SU0005044 S00016352 AMY1group:low donor=hs97 SUBJECT_SAMPLE_FACTORS SU0005046 S00016354 AMY1group:low donor=hs111 SUBJECT_SAMPLE_FACTORS SU0005049 S00016357 AMY1group:low donor=hs88 #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Plasma #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 EX00356-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 nmol MS_METABOLITE_DATA_START Samples S00016339 S00016341 S00016343 S00016345 S00016347 S00016349 S00016351 S00016353 S00016355 S00016356 S00016340 S00016342 S00016344 S00016346 S00016348 S00016350 S00016352 S00016354 S00016357 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 1334.1627 1060.5377 953.6201 448.5594 763.4184 488.5548 501.5996 372.1248 497.5759 1179.1020 530.7594 1334.1032 598.0370 562.2334 733.9232 627.6235 489.3023 1467.1386 621.1533 butyricacid 104.8002 25.4594 8.9424 4.1169 4.3667 4.3861 3.2821 6.1018 3.5572 279.9051 4.6243 7.0853 4.6201 5.0490 4.1970 4.5386 4.3695 18.1427 5.0058 heptanoicacid 2.0480 0.4439 0.6823 0.5254 0.7703 0.3877 0.4869 0.3024 0.3072 0.3740 0.4899 0.9720 0.3940 0.3206 0.6749 0.5090 0.4872 0.8499 0.3953 hexanoicacid 13.3035 5.6078 5.6496 2.8847 8.2161 4.4287 3.0141 2.4313 4.0931 5.3698 5.2182 5.9480 5.2471 5.2932 3.2538 4.6627 2.9198 7.6925 4.8594 iso-butyricacid 12.7722 3.0290 3.7187 1.2792 2.5544 1.0419 0.5368 0.9755 1.1007 10.7884 1.4526 3.1959 1.6077 1.6395 2.2441 1.3094 1.1967 3.4865 0.7519 isovalericacid 4.0184 0.7191 0.7047 0.2218 0.5999 0.5198 0.2231 0.1444 0.1570 4.3320 0.6177 0.4182 0.2682 0.2587 0.2247 0.2213 0.2543 0.9123 0.1983 propionic acid 328.9816 192.9039 23.5408 6.2853 15.9515 8.4806 10.8947 7.1110 11.7935 170.8520 12.3388 18.0864 13.3414 13.7941 14.7827 17.6133 11.8710 36.9106 18.5610 valericacid 37.3008 1.9938 2.6095 1.0151 1.3572 0.8491 0.8102 1.1515 0.7514 4.7606 1.5453 2.6685 0.7611 0.6583 1.2481 1.0514 1.1539 2.3146 0.8785 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