#METABOLOMICS WORKBENCH araskind_20170802_185111 DATATRACK_ID:1189 STUDY_ID:ST000838 ANALYSIS_ID:AN001344 PROJECT_ID:PR000598 VERSION 1 CREATED_ON August 9, 2017, 10:02 am #PROJECT PR:PROJECT_TITLE Obesity and marrow and MAT metabolomics Studies PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY MAT and bone marrow collected to evaluate lipid content/lipid type. In addition, PR:PROJECT_SUMMARY marrow evaluations for glycolysis/TCA cycle and acylcarnitines will be PR:PROJECT_SUMMARY performed. PR:INSTITUTE University of Michigan PR:DEPARTMENT Pedatric Endocrinology PR:LABORATORY Singer Lab PR:LAST_NAME Singer PR:FIRST_NAME Kanakadurga PR:ADDRESS Ann Arbor, MI PR:EMAIL ksinger@umich.edu PR:PHONE 734-764-5175 #STUDY ST:STUDY_TITLE Obesity and marrow and marrow adipose tissue (MAT) metabolomics ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Male C57Bl6j mice were fed HFD for 16-20 weeks and marrow adipose tissue (MAT) ST:STUDY_SUMMARY and bone marrow collected to evaluate lipid content/lipid type. In addition, ST:STUDY_SUMMARY marrow evaluations for glycolysis/TCA cycle and acylcarnitines will be ST:STUDY_SUMMARY performed. 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 4 ST:TOTAL_SUBJECTS 6 #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 SU0018085 S00028167 Diet:ND | Sample type:Adipose Tissue SUBJECT_SAMPLE_FACTORS SU0018086 S00028168 Diet:ND | Sample type:Adipose Tissue SUBJECT_SAMPLE_FACTORS SU0018087 S00028169 Diet:ND | Sample type:Adipose Tissue SUBJECT_SAMPLE_FACTORS SU0018088 S00028170 Diet:HFD | Sample type:Adipose Tissue SUBJECT_SAMPLE_FACTORS SU0018089 S00028171 Diet:HFD | Sample type:Adipose Tissue SUBJECT_SAMPLE_FACTORS SU0018090 S00028172 Diet:HFD | Sample type:Adipose Tissue SUBJECT_SAMPLE_FACTORS SU0018085 S00028173 Diet:ND | Sample type:Bone Marrow SUBJECT_SAMPLE_FACTORS SU0018086 S00028174 Diet:ND | Sample type:Bone Marrow SUBJECT_SAMPLE_FACTORS SU0018087 S00028175 Diet:ND | Sample type:Bone Marrow SUBJECT_SAMPLE_FACTORS SU0018088 S00028176 Diet:HFD | Sample type:Bone Marrow SUBJECT_SAMPLE_FACTORS SU0018089 S00028177 Diet:HFD | Sample type:Bone Marrow SUBJECT_SAMPLE_FACTORS SU0018090 S00028178 Diet:HFD | Sample type:Bone Marrow #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A008_Acyl_Carnitines.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 1mm, 3um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A043-TCA-Plus-20170713.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6520B QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts/mg MS_METABOLITE_DATA_START Samples S00028173 S00028174 S00028175 S00028176 S00028177 S00028178 Factors Diet:ND | Sample type:Bone Marrow Diet:ND | Sample type:Bone Marrow Diet:ND | Sample type:Bone Marrow Diet:HFD | Sample type:Bone Marrow Diet:HFD | Sample type:Bone Marrow Diet:HFD | Sample type:Bone Marrow TAURINE 83410316.07 83278670.74 68853758.19 103920728.6 130609296.3 118852166.3 XANTHINE 4386136.024 2893110.603 2626497.303 4942690.979 4725708.194 4974468.791 GLUTATHIONE 6370907.663 10504033.13 10234626.03 16159372.02 17976327.44 17965526.77 L-PROLINE 4721869.82 2746960.566 1990883.948 4527759.081 6212389.434 4843665.494 UDP-GLUCURONIC ACID 47636.96376 79809.78961 71033.62356 128374.946 148106.5044 119626.6817 L-GLUTAMIC ACID 9160004.806 6154042.486 6782790.865 9836652.214 10460265.53 10409386.62 N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATE 69464.36409 75312.87845 73712.44246 127776.5547 104054.991 115007.9412 OLEIC ACID 76708355.5 55016809.36 44424940.37 103085949.2 89165348.46 82632691.18 UDP-N-ACETYLGLUCOSAMINE 1730175.403 2560190.4 2617641.757 4155432.434 3540985.765 3519132.851 STEARIC ACID 58872726.68 32656776.23 28733057.39 50793529.65 53540558.84 46966140.01 UDPGLUCOSE 567291.9247 821117.877 852553.509 1083455.414 1033035.693 927591.3267 D-GLUCOSE 1109482.039 584285.1504 553574.8482 781115.7918 978876.9483 818627.5324 CREATINE 759714.8057 586019.1825 502809.7088 442742.9078 554159.0873 447427.4889 L-ALANINE 307498.9526 175760.0398 161248.6983 422988.9847 492018.07 418492.4005 L-ASPARTIC ACID 5767640.884 4166318.636 4330969.113 6716097.95 6656694.92 7274387.53 L-GLUTAMINE 2236699.6 1398489.825 1517194.636 1566078.059 1161667.033 1671802.078 L-LYSINE 583058.6111 327851.4934 421894.9871 1024484.714 1251501.249 972180.5488 INOSINE 3620052.966 2547518.199 2053897.001 3578513.911 4093837.926 3995032.379 URIDYLIC ACID 1646720.807 2570599.056 2427216.847 3454335.099 2917387.475 2790022.487 L-TYROSINE 3331428.728 2503910.153 1909610.356 1783786.909 2046876.419 1879221.794 5'-CYTIDYLIC ACID 549502.4102 862159.9101 835571.8149 1515631.792 1269251.625 943140.6937 URIDINE 5'-TRIPHOSPHATE 62076.15599 47086.59618 6759.888052 140496.7541 117511.2488 113596.7297 L-METHIONINE 2184619.083 1250279.75 941056.3599 1447535.767 1638135.945 1417552.993 L-PHENYLALANINE 10274158.98 5903212.546 4584886.231 6918606.887 7391459.362 6469984.179 DL-SERINE 1356024.751 808188.5763 781587.8703 1150152.725 1302856.301 1171438.531 L-ORNITHINE 1209207.197 687292.2891 565003.236 809525.5085 948038.4337 786752.8572 L-ASPARAGINE 1741581.463 1187580.716 1234345.494 2066551.336 2104543.629 1939416.163 L-HISTIDINE 2263063.168 1508313.145 1414779.294 2371656.981 2208771.669 2168301.358 L-VALINE 5698710.813 3336154.039 2435203.372 4304048.005 5081545.527 4336439.167 L-THREONINE 2535172.167 1558648.245 1226653.464 2319733.386 3349421.383 2593491.814 L-TRYPTOPHAN 907853.1881 583830.5855 483087.7349 791463.8788 809814.4417 768942.518 L-ISOLEUCINE 18021259.58 9792289.323 8307210.381 12109127.05 13769723.01 12098048.63 5'-GUANYLIC ACID 898961.6935 1010174.678 1391744.44 2469639.818 2385656.881 2150931.743 O-PHOSPHO-L-SERINE 261556.662 242023.6981 288365.5224 458764.4686 424530.5686 413001.1649 3-GLYCEROPHOSPHATE 402301.6951 396564.648 403962.8678 906953.7086 990104.4165 620267.3589 HYPOXANTHINE 4554997.056 3240311.368 2853078.653 5099808.304 6021236.94 5834935.557 INOSINIC ACID 5033814.18 2904585.247 6182361.381 9818351.546 8637499.066 7900556.653 GUANOSINE DIPHOSPHATE 5212.22798 4868.630566 2313.332853 8526.404487 22965.90796 13359.47409 L-GLUTATHIONE (OXIDIZED) 2371186.137 2490632.574 3059252.341 5790350.829 4304781.487 4200149.295 L-CITRULLINE 213765.3028 140276.4553 133939.5362 258841.1255 304365.4804 282126.1403 PALMITIC ACID 95850918.81 66484688.87 56866980.92 99512387.86 98547198.89 89275505.46 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 TAURINE 1123 XANTHINE 1188 GLUTATHIONE 124886 L-PROLINE 145742 UDP-GLUCURONIC ACID 17473 L-GLUTAMIC ACID 33032 N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATE 440272 OLEIC ACID 445639 UDP-N-ACETYLGLUCOSAMINE 445675 STEARIC ACID 5281 UDPGLUCOSE 53477679 D-GLUCOSE 5793 CREATINE 586 L-ALANINE 5950 L-ASPARTIC ACID 5960 L-GLUTAMINE 5961 L-LYSINE 5962 INOSINE 6021 URIDYLIC ACID 6030 L-TYROSINE 6057 5'-CYTIDYLIC ACID 6131 URIDINE 5'-TRIPHOSPHATE 6133 L-METHIONINE 6137 L-PHENYLALANINE 6140 DL-SERINE 617 L-ORNITHINE 6262 L-ASPARAGINE 6267 L-HISTIDINE 6274 L-VALINE 6287 L-THREONINE 6288 L-TRYPTOPHAN 6305 L-ISOLEUCINE 6306 5'-GUANYLIC ACID 6804 O-PHOSPHO-L-SERINE 68841 3-GLYCEROPHOSPHATE 754 HYPOXANTHINE 790 INOSINIC ACID 8582 GUANOSINE DIPHOSPHATE 8977 L-GLUTATHIONE (OXIDIZED) 975 L-CITRULLINE 9750 PALMITIC ACID 985 METABOLITES_END #END