#METABOLOMICS WORKBENCH araskind_20170802_184958 DATATRACK_ID:1188 STUDY_ID:ST000837 ANALYSIS_ID:AN001341 PROJECT_ID:PR000597 VERSION 1 CREATED_ON August 9, 2017, 9:57 am #PROJECT PR:PROJECT_TITLE Hepatocyte Metabolism PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Differentiating Stem Cells towards Hepatocytes PR:INSTITUTE University of Minnesota PR:DEPARTMENT Chemical Engineering PR:LABORATORY Wei-Shou Hu Lab PR:LAST_NAME Hu PR:FIRST_NAME Wei-Shou PR:ADDRESS St. Paul, Minnesota PR:EMAIL wshu@umn.edu PR:PHONE 612-625-0546 #STUDY ST:STUDY_TITLE Hepatocyte Differentiation Metabolism ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY In the first group of samples, we are looking into the different metabolites and ST:STUDY_SUMMARY their concentrations within our human embryonic stem cells over the course of ST:STUDY_SUMMARY differentiation. Our goal is to study how the metabolism of stem cells are ST:STUDY_SUMMARY changing as they undergo this conversion to become hepatocyte-like cells. In the ST:STUDY_SUMMARY second group of samples labeled HyCell, we would like to understand the ST:STUDY_SUMMARY concentrations of metabolites within our CHO cells in order to update the ST:STUDY_SUMMARY parameters for our metabolic model. Included are two samples from different days ST:STUDY_SUMMARY of a suspension batch culture which may have different lactate production ST:STUDY_SUMMARY qualities. 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 9 ST:TOTAL_SUBJECTS 5 #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 SU0018074 S00028162 Cell Line:H9 | DAYS:- | Species:Homo sapiens SUBJECT_SAMPLE_FACTORS SU0018075 S00028163 Cell Line:H9 | DAYS:2 | Species:Homo sapiens SUBJECT_SAMPLE_FACTORS SU0018076 S00028164 Cell Line:H9 | DAYS:10 | Species:Homo sapiens SUBJECT_SAMPLE_FACTORS SU0018077 S00028165 Cell Line:HyCell | DAYS:3 | Species:Rodentia SUBJECT_SAMPLE_FACTORS SU0018078 S00028166 Cell Line:HyCell | DAYS:4 | Species:Rodentia #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A011_Glycolysis-TCA-nucleotides.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 MS_METABOLITE_DATA_START Samples S00028162 S00028163 S00028164 S00028165 S00028166 Factors Cell Line:H9 | DAYS:- | Species:Homo sapiens Cell Line:H9 | DAYS:2 | Species:Homo sapiens Cell Line:H9 | DAYS:10 | Species:Homo sapiens Cell Line:HyCell | DAYS:3 | Species:Rodentia Cell Line:HyCell | DAYS:4 | Species:Rodentia GLUCONIC ACID 801385.1569 601533.7088 430565.3492 129495.0215 203347.0858 GLUTATHIONE 866101.9835 1687541.021 1531535.545 5131398.9 6154416.713 2'-DEOXYURIDINE 12290.76807 209.1836809 410.6446171 463.9572376 235.3824713 UDP-GLUCURONIC ACID 83310.08737 114008.8587 39228.33363 216278.4521 217461.4373 L-GLUTAMIC ACID 1616124.96 3151545.877 3133075.83 2731257.708 2817813.541 N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATE 39052.11181 15212.67898 18027.30667 40852.07936 27040.20325 OLEIC ACID 855418.5028 1590709.622 1172861.74 3461693.721 3756429.636 UDP-N-ACETYLGLUCOSAMINE 805727.5426 419508.0885 152590.3659 6849973.723 8169419.493 STEARIC ACID 498403.2497 610145.7284 265260.9069 640945.0441 689388.4004 UDPGLUCOSE 255564.7883 233307.85 112985.2625 3819733.227 3222860.827 D-GLUCOSE 655995.8232 527918.0555 218812.8914 1590402.212 1958877.257 L-ASPARTIC ACID 113936.4747 392425.9549 470158.3471 1518245.68 1483524.378 URIDYLIC ACID 34584.30432 134302.3748 110840.1304 5836941.484 5199997.558 URIDINE 5'-DIPHOSPHATE 33439.20167 82114.74014 43860.63143 20338.15841 32757.08586 5'-CYTIDYLIC ACID 11089.38748 37352.113 25298.02162 988613.2036 540273.1172 URIDINE 5'-TRIPHOSPHATE 103585.5359 99401.06373 D-PANTOTHENIC ACID 26337.19692 27963.71389 43171.85563 153123.2812 5'-GUANYLIC ACID 17080.50047 35674.54337 40434.15736 817777.0992 706944.993 O-PHOSPHO-L-SERINE 121884.8252 207300.3549 122573.6134 317404.8602 283325.6929 HYPOXANTHINE 121683.0206 44308.10647 13654.06593 GUANOSINE DIPHOSPHATE 11325.41339 29923.67796 25309.21471 35965.095 44645.68115 PHOSPHOCREATINE 1186.714734 2428.035823 3896.10245 L-GLUTATHIONE (OXIDIZED) 677296.3815 823115.4384 211538.2342 511807.9248 459011.4137 PALMITIC ACID 518112.6154 624243.9713 335944.4829 2678040.4 1884174.375 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 GLUCONIC ACID 10690 GLUTATHIONE 124886 2'-DEOXYURIDINE 13712 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 L-ASPARTIC ACID 5960 URIDYLIC ACID 6030 URIDINE 5'-DIPHOSPHATE 6031 5'-CYTIDYLIC ACID 6131 URIDINE 5'-TRIPHOSPHATE 6133 D-PANTOTHENIC ACID 6613 5'-GUANYLIC ACID 6804 O-PHOSPHO-L-SERINE 68841 HYPOXANTHINE 790 GUANOSINE DIPHOSPHATE 8977 PHOSPHOCREATINE 9548602 L-GLUTATHIONE (OXIDIZED) 975 PALMITIC ACID 985 METABOLITES_END #END