#METABOLOMICS WORKBENCH araskind_20170619_133138 DATATRACK_ID:1021 STUDY_ID:ST000720 ANALYSIS_ID:AN001126 PROJECT_ID:PR000517 VERSION 1 CREATED_ON July 2, 2017, 9:17 pm #PROJECT PR:PROJECT_TITLE Metabolomics of lean males given water, antibiotic cocktail (ANMV), or neomycin PR:PROJECT_TITLE then exposed to ozone PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Lean males given water, ANMV, or Neomycin then exposed to ozone PR:INSTITUTE Harvard School of Public Health PR:DEPARTMENT Environmental Health PR:LABORATORY Shore Lab PR:LAST_NAME Shore PR:FIRST_NAME Stephanie PR:ADDRESS Boston, MA PR:EMAIL sshore@hsph.harvard.edu PR:PHONE 617-432-0199 #STUDY ST:STUDY_TITLE Metabolomics of lean males given water, antibiotic cocktail (ANMV), or neomycin ST:STUDY_TITLE then exposed to ozone ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Mice were given either water, an antibiotic cocktail (ANMV), or Neomycin in ST:STUDY_SUMMARY their drinking water for two weeks to reduce bacterial load, and then exposed to ST:STUDY_SUMMARY air or to ozone (2ppm for 3hrs). 24 hours later, pulmonary mechanics and airway ST:STUDY_SUMMARY responsiveness was assessed, and blood was collected via cardiac puncture. Serum ST:STUDY_SUMMARY was isolated and immediately stored at -80 C for further analysis. 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 7 ST:TOTAL_SUBJECTS 21 #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 SU0016147 S00025616 Treatment:Water Cohort=1 SUBJECT_SAMPLE_FACTORS SU0016148 S00025617 Treatment:Water Cohort=2 SUBJECT_SAMPLE_FACTORS SU0016149 S00025618 Treatment:Water Cohort=2 SUBJECT_SAMPLE_FACTORS SU0016150 S00025619 Treatment:Water Cohort=3 SUBJECT_SAMPLE_FACTORS SU0016151 S00025620 Treatment:Water Cohort=3 SUBJECT_SAMPLE_FACTORS SU0016152 S00025621 Treatment:Water Cohort=4 SUBJECT_SAMPLE_FACTORS SU0016153 S00025622 Treatment:Water Cohort=4 SUBJECT_SAMPLE_FACTORS SU0016154 S00025623 Treatment:ANMV Cohort=1 SUBJECT_SAMPLE_FACTORS SU0016155 S00025624 Treatment:ANMV Cohort=2 SUBJECT_SAMPLE_FACTORS SU0016156 S00025625 Treatment:ANMV Cohort=2 SUBJECT_SAMPLE_FACTORS SU0016157 S00025626 Treatment:ANMV Cohort=3 SUBJECT_SAMPLE_FACTORS SU0016158 S00025627 Treatment:ANMV Cohort=3 SUBJECT_SAMPLE_FACTORS SU0016159 S00025628 Treatment:ANMV Cohort=4 SUBJECT_SAMPLE_FACTORS SU0016160 S00025629 Treatment:ANMV Cohort=4 SUBJECT_SAMPLE_FACTORS SU0016161 S00025630 Treatment:Neomycin Cohort=1 SUBJECT_SAMPLE_FACTORS SU0016162 S00025631 Treatment:Neomycin Cohort=2 SUBJECT_SAMPLE_FACTORS SU0016163 S00025632 Treatment:Neomycin Cohort=2 SUBJECT_SAMPLE_FACTORS SU0016164 S00025633 Treatment:Neomycin Cohort=3 SUBJECT_SAMPLE_FACTORS SU0016165 S00025634 Treatment:Neomycin Cohort=3 SUBJECT_SAMPLE_FACTORS SU0016166 S00025635 Treatment:Neomycin Cohort=4 SUBJECT_SAMPLE_FACTORS SU0016167 S00025636 Treatment:Neomycin Cohort=4 #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 uM MS_METABOLITE_DATA_START Samples S00025616 S00025617 S00025618 S00025619 S00025620 S00025621 S00025622 S00025623 S00025624 S00025625 S00025626 S00025627 S00025628 S00025629 S00025630 S00025631 S00025632 S00025633 S00025634 S00025635 S00025636 Factors Treatment:Water Treatment:Water Treatment:Water Treatment:Water Treatment:Water Treatment:Water Treatment:Water Treatment:ANMV Treatment:ANMV Treatment:ANMV Treatment:ANMV Treatment:ANMV Treatment:ANMV Treatment:ANMV Treatment:Neomycin Treatment:Neomycin Treatment:Neomycin Treatment:Neomycin Treatment:Neomycin Treatment:Neomycin Treatment:Neomycin PROPIONIC ACID 34.19802493 52.26048065 59.20719669 65.16459605 34.51212051 24.35942717 86.92269788 21.30964864 44.20589705 30.9969229 50.88284257 48.06608596 81.56522625 80.89935132 66.22338806 44.97385829 53.10204465 137.9593996 102.6086708 36.03352616 68.01840334 ISOVALERIC ACID 1.549015397 1.522928788 1.056618051 .876536278 .684561692 .848699734 .61099104 .501369803 .760111812 .893235147 .794637619 .73162929 .997391837 .967067169 .428276584 .53947104 .67302522 1.081856208 .831021003 .492868918 .680015291 ACETIC ACID 2110.549115 2078.927762 1562.432904 2152.451466 1539.910783 1429.655909 2333.625739 801.6853318 1399.844114 1766.610735 1461.063531 2027.380497 1908.525318 2058.949472 1850.11486 1945.563355 1798.233536 1351.206933 2039.018323 1538.20407 1733.827257 BUTYRIC ACID 9.499711102 12.71661932 13.54224484 10.75327627 8.401511479 6.755326279 12.93920603 4.554853361 12.02883786 12.63006515 15.0135966 13.7280937 17.61114856 14.79065379 9.175146749 11.45496678 9.371044546 44.02573057 21.62897035 9.036313878 21.07306364 OCTANOIC ACID 2.270870247 1.396754597 .992289851 .851800276 .807488284 .934327182 .664898037 .207250023 .510593475 .948393898 .912896903 .543113417 .570304906 .92239027 .614321275 .588261026 .4299749 .320247408 .446668178 .374025645 .329602102 VALERIC ACID 3.625566373 3.524023159 1.786532225 2.209372756 1.815986397 1.716555071 1.745227738 1.021659412 2.253051366 2.033234374 2.756037007 2.552439914 4.058230322 3.978441996 1.584951195 1.752199858 1.88312685 5.053776535 3.861441754 2.14257403 3.166373626 HEPTANOIC ACID 1.971387206 1.437753639 1.000900784 .874639155 .784464169 .833573345 .758969046 .277760021 .654999139 1.136917303 1.128242387 .79155545 .890857381 .976907405 .843268242 .793870795 .605943507 .409752362 .470513815 .373383649 .393266826 HEXANOIC ACID 5.14048166 4.900603838 3.530064696 3.985807844 3.626432293 4.27314549 4.94748331 .916451144 4.133061664 7.321668479 7.298975871 5.350968836 4.758618206 5.367266932 2.487498711 4.354793239 2.578186272 2.367952929 4.09125656 2.189846357 2.351333776 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