#METABOLOMICS WORKBENCH araskind_20151211_9846571_mwtab.txt DATATRACK_ID:451 araskind_20170214_095220 DATATRACK_ID:451 STUDY_ID:ST000563 ANALYSIS_ID:AN000865 PROJECT_ID:PR000414 VERSION 1 CREATED_ON February 22, 2017, 4:27 pm #PROJECT PR:PROJECT_TITLE Stool and microbial metabolomics PR:PROJECT_SUMMARY Digestive tract metabolomics in the context of diet PR:INSTITUTE The Forsyth Institute PR:LAST_NAME Izard PR:FIRST_NAME Jacques PR:ADDRESS Cambridge, MA PR:EMAIL jizard@forsyth.org PR:PHONE 617-892-8279 #STUDY ST:STUDY_TITLE Meat intake on stool metabolites ST:STUDY_SUMMARY Methods of stool fixation (RNAlater versus ethanol versus no fixative by ST:STUDY_SUMMARY freezing) influence the ability of metabolite recovery and discovery 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 #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 SU0004153 S00014767 Treatment:None YOGURT=2; ALCOHOL=4; LONG TERM RED MEAT INTAKE=0.7; SHORT TERM RED MEAT=2; ANTIBIOTICS=2 SUBJECT_SAMPLE_FACTORS SU0004155 S00014772 Treatment:None YOGURT=1; ALCOHOL=3; LONG TERM RED MEAT INTAKE=0.42; SHORT TERM RED MEAT=4; ANTIBIOTICS=2 SUBJECT_SAMPLE_FACTORS SU0004156 S00014775 Treatment:None YOGURT=1; ALCOHOL=1; LONG TERM RED MEAT INTAKE=0.57; SHORT TERM RED MEAT=4; ANTIBIOTICS=2 SUBJECT_SAMPLE_FACTORS SU0004157 S00014778 Treatment:None YOGURT=3; ALCOHOL=3; LONG TERM RED MEAT INTAKE=-; SHORT TERM RED MEAT=1; ANTIBIOTICS=2 SUBJECT_SAMPLE_FACTORS SU0004158 S00014781 Treatment:None YOGURT=2; ALCOHOL=2; LONG TERM RED MEAT INTAKE=0.35; SHORT TERM RED MEAT=1; ANTIBIOTICS=2 SUBJECT_SAMPLE_FACTORS SU0004159 S00014784 Treatment:None YOGURT=4; ALCOHOL=2; LONG TERM RED MEAT INTAKE=-; SHORT TERM RED MEAT=1; ANTIBIOTICS=2 SUBJECT_SAMPLE_FACTORS SU0004161 S00014788 Treatment:None YOGURT=1; ALCOHOL=2; LONG TERM RED MEAT INTAKE=1.14; SHORT TERM RED MEAT=4; ANTIBIOTICS=2 SUBJECT_SAMPLE_FACTORS SU0004162 S00014791 Treatment:None YOGURT=2; ALCOHOL=1; LONG TERM RED MEAT INTAKE=1.06; SHORT TERM RED MEAT=4; ANTIBIOTICS=1 SUBJECT_SAMPLE_FACTORS SU0004163 S00014794 Treatment:None YOGURT=4; ALCOHOL=4; LONG TERM RED MEAT INTAKE=1.06; SHORT TERM RED MEAT=4; ANTIBIOTICS=1 SUBJECT_SAMPLE_FACTORS SU0004164 S00014797 Treatment:None YOGURT=2; ALCOHOL=3; LONG TERM RED MEAT INTAKE=0.21; SHORT TERM RED MEAT=1; ANTIBIOTICS=2 SUBJECT_SAMPLE_FACTORS SU0004165 S00014799 Treatment:None YOGURT=2; ALCOHOL=4; LONG TERM RED MEAT INTAKE=0.28; SHORT TERM RED MEAT=3; ANTIBIOTICS=2 SUBJECT_SAMPLE_FACTORS SU0004166 S00014802 Treatment:None YOGURT=2; ALCOHOL=3; LONG TERM RED MEAT INTAKE=1.63; SHORT TERM RED MEAT=3; ANTIBIOTICS=2 SUBJECT_SAMPLE_FACTORS SU9999996 S00017887 Treatment:None YOGURT=Pooled; ALCOHOL=Pooled; LONG TERM RED MEAT INTAKE=Pooled; SHORT TERM RED MEAT=Pooled; ANTIBIOTICS=Pooled #COLLECTION CO:COLLECTION_SUMMARY None CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY None #SAMPLEPREP SP:SAMPLEPREP_SUMMARY None SP:SAMPLEPREP_PROTOCOL_FILENAME ShortChainFattyAcids-20150305.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY None CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890A CH:COLUMN_NAME Phenomenex Zebron ZB-WAXplus (30m x 0.25mm, 0.25um) CH:METHODS_FILENAME WAXPLUS_100-200C_2_SIM.M CH:METHODS_ID AQM030 #ANALYSIS AN:ANALYSIS_TYPE MS #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/mg sample MS_METABOLITE_DATA_START Samples S00014767 S00014772 S00014775 S00014778 S00014781 S00014784 S00014788 S00014791 S00014794 S00014797 S00014799 S00014802 S00017887 S00017887 Factors Treatment:None Treatment:None Treatment:None Treatment:None Treatment:None Treatment:None Treatment:None Treatment:None Treatment:None Treatment:None Treatment:None Treatment:None Treatment:None Treatment:None acetic acid 7.791 11.824 14.404 5.579 11.194 22.995 2.438 10.559 7.334 8.986 2.452 3.551 816.670 817.858 butyric acid 3.336 1.326 6.100 1.894 2.613 12.625 2.049 5.675 3.173 9.809 1.912 1.594 360.903 366.782 heptanoic acid 0.815 0.227 0.207 0.160 0.195 0.258 0.099 0.005 0.503 0.554 0.212 0.043 16.108 16.746 hexanoic acid 0.489 0.213 0.268 0.234 0.425 0.200 0.387 0.232 0.361 0.676 0.286 0.238 21.914 22.473 isovaleric acid 1.644 0.980 2.927 1.176 1.532 5.834 1.093 2.724 1.907 4.628 1.116 0.965 176.915 179.457 propionic acid 2.627 2.387 4.211 1.831 4.042 4.375 2.161 5.995 1.816 5.482 0.894 1.230 270.936 274.286 valeric acid 0.598 0.234 0.256 0.577 0.670 0.141 0.580 0.396 0.417 0.408 0.422 0.618 29.406 30.013 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem CID Local ID acetic acid 176 Acetate propionic acid 1032 Propionate butyric acid 20975673 Butyrate isovaleric acid 10430 Isovalerate valeric acid 7991 Valerate hexanoic acid 8892 Hexanoate heptanoic acid 8094 Heptanoate METABOLITES_END #END