#METABOLOMICS WORKBENCH araskind_20150604_9031391_mwtab.txt DATATRACK_ID:267 STUDY_ID:ST000171 ANALYSIS_ID:AN000265 PROJECT_ID:PR000148 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE trcp PR:PROJECT_SUMMARY metabolic phenotypes of a clock mutant mouse PR:INSTITUTE Florida State University PR:DEPARTMENT Biomedical Sciences PR:LABORATORY Lee Lab PR:LAST_NAME Lee PR:FIRST_NAME Choogon PR:ADDRESS Tallahassee, FL PR:EMAIL choogon.lee@med.fsu.edu PR:PHONE 850-645-1478 #STUDY ST:STUDY_TITLE cell metabolomics (metabolic phenotypes of a clock mutant mouse) ST:STUDY_SUMMARY - 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 11 ST:TOTAL_SUBJECTS 11 #SUBJECT SU:SUBJECT_TYPE - 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 SU0003080 S00013516 Type:control SUBJECT_SAMPLE_FACTORS SU0003081 S00013518 Type:control cell1 SUBJECT_SAMPLE_FACTORS SU0003081 S00013519 Type:control cell2 SUBJECT_SAMPLE_FACTORS SU0003081 S00013520 Type:control cell3 SUBJECT_SAMPLE_FACTORS SU0003081 S00013521 Type:control cell4 SUBJECT_SAMPLE_FACTORS SU0003080 S00013517 Type:ko SUBJECT_SAMPLE_FACTORS SU0003081 S00013522 Type:ko cell1 SUBJECT_SAMPLE_FACTORS SU0003081 S00013523 Type:ko cell2 SUBJECT_SAMPLE_FACTORS SU0003081 S00013524 Type:ko cell3 SUBJECT_SAMPLE_FACTORS SU0003081 S00013525 Type:ko cell4 SUBJECT_SAMPLE_FACTORS SU0003080 S00013515 Type:starting medium #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Fibroblasts #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Gly-TCA-nucleotides_analysis_protocol-2015-03-09.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME - CH:COLUMN_NAME Agilent DB5-MS (30m × 0.25mm, 0.25um) CH:METHODS_ID AQM011 CH:METHODS_FILENAME ALPHA_KETO_ACIDS-FULL.M.zip #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE ALPHA_KETO_ACIDS-FULL.M.zip AN:PROCESSING_PARAMETERS_FILE EX00266-MassHunterQuant-GlyTCA-GCMS-DataAnalysis-Method.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 µM MS_METABOLITE_DATA_START Samples S00013518 S00013519 S00013520 S00013521 S00013522 S00013523 S00013524 S00013525 Factors Type:control cell1 Type:control cell2 Type:control cell3 Type:control cell4 Type:ko cell1 Type:ko cell2 Type:ko cell3 Type:ko cell4 2 or 3-phosphoglycerate 0.0972 0.0186 0.0239 6-phosphogluconate 0.3680 0.0805 0.0461 0.0454 0.1822 0.2316 0.1934 0.2437 acetyl-coa 0.2057 0.1593 0.1796 0.1868 0.3123 0.2583 0.3531 0.2836 adenosine diphosphate 0.9630 0.8885 1.0622 1.0222 1.7035 1.3455 1.4525 1.4828 adenosine monophosphate 0.0698 0.1435 0.1638 0.1547 0.4375 0.4072 0.4163 0.2983 adenosine triphosphate 14.4322 15.9190 17.9238 15.2905 23.6742 22.4483 25.9686 22.7471 citrate or isocitrate 2.2294 2.4726 2.4285 2.5050 6.1181 5.8808 6.6044 6.0913 flavin adenine dinucleotide 0.0178 0.0107 0.0312 0.0750 0.0358 0.0500 0.0308 0.0355 fructose 1_6-bisphosphate 7.0108 3.7035 3.1173 3.1944 36.1744 35.1907 35.6044 39.4195 glucose 6-phosphate or fructose-6-phosphate 0.0315 0.1766 0.1592 0.0167 0.3898 0.2122 0.4393 0.3649 malate 4.7003 4.7096 4.6820 4.7766 7.8022 6.6793 7.2245 6.6919 nicotinamide adenine dinucleotide oxidized 1.2160 1.3605 1.3885 1.4718 1.5464 1.2167 1.4910 1.4244 nicotinamide adenine dinucleotide phosphate oxidized 0.2364 0.1212 0.1226 0.0958 0.1024 0.0954 0.1281 0.0900 nicotinamide adenine dinucleotide phosphate reduced 0.6592 0.6883 0.7461 0.7604 0.8544 0.8034 0.7863 0.9147 nicotinamide adenine dinucleotide reduced 0.0000 0.4412 0.7989 0.7410 0.7581 phosphoenolpyruvate 0.0408 0.0348 sucrose 2.7521 2.9907 2.7065 2.4520 3.9054 3.9293 4.8743 3.9060 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 2 or 3-phosphoglycerate 724 2PG/3PG UFLORIDA_Lee_Lab 6-phosphogluconate 91493 6PG UFLORIDA_Lee_Lab acetyl-coa 444493 aCoA UFLORIDA_Lee_Lab adenosine diphosphate 6022 ADP UFLORIDA_Lee_Lab adenosine monophosphate 6083 AMP UFLORIDA_Lee_Lab adenosine triphosphate 5957 ATP UFLORIDA_Lee_Lab citrate or isocitrate 311 CIT/ICIT UFLORIDA_Lee_Lab flavin adenine dinucleotide 46906035 FAD UFLORIDA_Lee_Lab fructose 1,6-bisphosphate 21125049 FBP UFLORIDA_Lee_Lab glucose 6-phosphate or fructose-6-phosphate 5958 G6P/F6P UFLORIDA_Lee_Lab malate 525 MAL UFLORIDA_Lee_Lab nicotinamide adenine dinucleotide oxidized 15938971 NAD UFLORIDA_Lee_Lab nicotinamide adenine dinucleotide phosphate oxidized 15938972 NADP UFLORIDA_Lee_Lab nicotinamide adenine dinucleotide phosphate reduced 22833512 NADPH UFLORIDA_Lee_Lab nicotinamide adenine dinucleotide reduced 439153 NADH UFLORIDA_Lee_Lab phosphoenolpyruvate 1005 PEP UFLORIDA_Lee_Lab sucrose 5988 SUC UFLORIDA_Lee_Lab METABOLITES_END #END