#METABOLOMICS WORKBENCH araskind_20170619_130622 DATATRACK_ID:1014 STUDY_ID:ST000715 ANALYSIS_ID:AN001119 PROJECT_ID:PR000512 VERSION 1 CREATED_ON July 2, 2017, 1:03 pm #PROJECT PR:PROJECT_TITLE SCFA analysis in SIDS. PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY SCFA analysis in SIDS. SIDS R01 preliminary data PR:INSTITUTE Childrens Hospital Boston PR:DEPARTMENT Pathology PR:LABORATORY Kinney Lab PR:LAST_NAME Haynes PR:FIRST_NAME Robin PR:ADDRESS Boston, MA PR:EMAIL robin.haynes@childrens.harvard.edu PR:PHONE 617-763-5782 #STUDY ST:STUDY_TITLE SCFA profile in infants dying of SIDS ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Analysis of SCFA profile in infants dying of SIDS compared to infants dying of ST:STUDY_SUMMARY controls. 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 37 ST:TOTAL_SUBJECTS 18 #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 SU0014846 S00022724 Diagnosis:SIDS Gestational age (weeks)=52.0; PMI (hours)=12.0; Postnatal age (weeks)=40.0 SUBJECT_SAMPLE_FACTORS SU0014847 S00022725 Diagnosis:SIDS Gestational age (weeks)=52.0; PMI (hours)=12.0; Postnatal age (weeks)=40.0 SUBJECT_SAMPLE_FACTORS SU0014848 S00022726 Diagnosis:SIDS Gestational age (weeks)=53.0; PMI (hours)=13.0; Postnatal age (weeks)=40.0 SUBJECT_SAMPLE_FACTORS SU0014849 S00022727 Diagnosis:SIDS Gestational age (weeks)=55.0; PMI (hours)=15.0; Postnatal age (weeks)=40.0 SUBJECT_SAMPLE_FACTORS SU0014850 S00022728 Diagnosis:Control Gestational age (weeks)=50.7; PMI (hours)=10.7; Postnatal age (weeks)=40.0 SUBJECT_SAMPLE_FACTORS SU0014851 S00022729 Diagnosis:SIDS Gestational age (weeks)=54.9; PMI (hours)=15.9; Postnatal age (weeks)=39.0 SUBJECT_SAMPLE_FACTORS SU0014852 S00022730 Diagnosis:Control Gestational age (weeks)=42.9; PMI (hours)=11.9; Postnatal age (weeks)=31.0 SUBJECT_SAMPLE_FACTORS SU0014853 S00022731 Diagnosis:SIDS Gestational age (weeks)=55.4; PMI (hours)=13.4; Postnatal age (weeks)=42.0 SUBJECT_SAMPLE_FACTORS SU0014854 S00022732 Diagnosis:SIDS Gestational age (weeks)=51.6; PMI (hours)=14.6; Postnatal age (weeks)=37.0 SUBJECT_SAMPLE_FACTORS SU0014855 S00022733 Diagnosis:SIDS Gestational age (weeks)=49.3; PMI (hours)=11.3; Postnatal age (weeks)=38.0 SUBJECT_SAMPLE_FACTORS SU0014856 S00022734 Diagnosis:SIDS Gestational age (weeks)=55.4; PMI (hours)=15.4; Postnatal age (weeks)=40.0 SUBJECT_SAMPLE_FACTORS SU0014857 S00022735 Diagnosis:SIDS Gestational age (weeks)=51.3; PMI (hours)=11.3; Postnatal age (weeks)=40.0 SUBJECT_SAMPLE_FACTORS SU0014858 S00022736 Diagnosis:Control Gestational age (weeks)=53.3; PMI (hours)=15.3; Postnatal age (weeks)=38.0 SUBJECT_SAMPLE_FACTORS SU0014859 S00022737 Diagnosis:SIDS Gestational age (weeks)=47.7; PMI (hours)=10.7; Postnatal age (weeks)=37.0 SUBJECT_SAMPLE_FACTORS SU0014860 S00022738 Diagnosis:SIDS Gestational age (weeks)=55.1; PMI (hours)=15.1; Postnatal age (weeks)=40.0 SUBJECT_SAMPLE_FACTORS SU0014861 S00022739 Diagnosis:Control Gestational age (weeks)=51.3; PMI (hours)=11.3; Postnatal age (weeks)=40.0 SUBJECT_SAMPLE_FACTORS SU0014862 S00022740 Diagnosis:SIDS Gestational age (weeks)=50.1; PMI (hours)=10.1; Postnatal age (weeks)=40.0 SUBJECT_SAMPLE_FACTORS SU0014863 S00022741 Diagnosis:Control Gestational age (weeks)=53.0; PMI (hours)=13.0; Postnatal age (weeks)=40.0 #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 uM MS_METABOLITE_DATA_START Samples S00022724 S00022725 S00022726 S00022727 S00022728 S00022729 S00022730 S00022731 S00022732 S00022733 S00022734 S00022735 S00022736 S00022737 S00022738 S00022739 S00022740 S00022741 Factors Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:Control Diagnosis:SIDS Diagnosis:Control Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:Control Diagnosis:SIDS Diagnosis:SIDS Diagnosis:Control Diagnosis:SIDS Diagnosis:Control PROPIONIC ACID 202.9263671 106.928825 102.0840149 239.5722991 33.9870557 133.7386918 200.5435392 233.6771852 145.8435713 66.34466782 124.3781664 130.3780521 82.60647934 69.48372358 122.3547624 31.09274835 167.3133897 228.4813855 ISOVALERIC ACID 4.671387332 2.50639228 4.656060969 3.811398622 .186391294 2.434633759 1.883157552 3.331270115 3.106973593 .775996598 .466968649 1.45805234 9.427046209 1.099125099 2.010110114 .33086732 .314343629 9.956840477 ACETIC ACID 1859.273617 1241.429298 1783.674577 2864.869782 961.3052932 1337.322817 757.4520181 1700.934603 2069.207113 1188.937429 1042.045496 1297.536758 1529.421608 1274.518171 758.3160517 897.3288981 1845.243228 1006.899131 BUTYRIC ACID 38.36893315 45.10237663 55.28732386 128.1226542 26.62271448 78.23139046 75.02367183 92.68244992 75.8268664 85.65633991 62.89476277 56.5321664 57.75829172 150.4533794 39.4273123 46.35161801 46.65494144 39.72740455 OCTANOIC ACID 9.79419761 2.321918132 1.765569947 2.795629343 .243156797 2.685758555 25.57249726 2.734537967 23.97798914 3.453646843 2.258425757 19.17800214 3.543662301 4.560879337 12.03052138 .4719509 .350788311 83.76254692 ISOBUTYRIC ACID 3.350658175 2.619765098 3.63512407 3.657259 2.993129656 5.618895 4.189266087 1.375170669 6.787542305 3.02541576 .280374993 2.60880359 9.818822718 4.451399319 5.443149131 2.009398295 1.391108275 7.368240525 VALERIC ACID 6.526351369 8.821769056 13.13191973 9.796360769 2.041156941 5.625155143 3.652545745 13.63707292 13.8867257 7.945148851 7.203837952 4.813417906 10.32515729 6.225519908 2.502289497 .577487872 4.015104008 3.445972003 HEXANOIC ACID 18.48031244 20.07317095 12.02459 28.06087371 7.93408798 14.91911359 12.68678558 33.47735624 30.62266735 35.30213271 23.66822744 26.94654594 23.5575931 29.95166268 21.31672253 12.98727279 14.40277961 24.25187694 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 ISOBUTYRIC ACID 6590 VALERIC ACID 7991 HEXANOIC ACID 8892 METABOLITES_END #END