#METABOLOMICS WORKBENCH araskind_20170802_184958 DATATRACK_ID:1188 STUDY_ID:ST000837 ANALYSIS_ID:AN001340 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 A011 - Glycolysis-TCA-nucleotides.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 pmol/ug protein 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 PHOSPHOENOLPYRUVATE .2 D-ERYTHROSE 4-PHOSPHATE .2 BETA-NAD+ .074768075 .476158101 .746875446 1.25546986 COENZYME II .0000808608 .061274125 .004134183 .158581916 .630026658 SEDOHEPTULOSE 7-PHOSPHATE .329333403 1.45647861 1.024216535 3.808783034 1.820460841 D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE) 6.626729837 .734133907 1.944711414 1.940305249 6.881301882 NADP-REDUCED .259925322 .384491944 .440875688 .311040693 CITRIC ACID .859134149 3.673400968 3.286114158 3.016154918 4.090965575 NADH 1.084019195 .599939378 2.887835095 2.423194838 FAD .193042438 .629406502 MALIC ACID 2.691627655 5.456108168 4.379554799 7.566427989 5.584388429 ADENOSINE TRIPHOSPHATE 21.72795479 18.67938705 23.93479834 3.482746925 10.81652 ROBISON ESTER 5.4115895 5.448362465 5.359837239 10.47870901 5.543442789 SUCROSE 4.494843312 8.297472943 10.38803961 26.2543822 41.39880159 ADENOSINE 5'-DIPHOSPHATE 3.662677244 13.86359562 7.034660903 10.68330841 17.49163598 ADENOSINE 5'-MONOPHOSPHATE 1.557754559 12.91734671 5.806994269 27.78290735 18.357133 GLYCERATE 3-PHOSPHATE 4.789204019 1.829674577 RIBOSE PHOSPHATE .33890722 1.206375837 .501787182 1.644901034 1.417401716 6-PHOSPHOGLUCONIC ACID .35072745 .383905484 .615970917 1.705599257 1.40084406 ACETOACETYL-COA .143736263 .142070375 .148379667 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 PHOSPHOENOLPYRUVATE 1005 D-ERYTHROSE 4-PHOSPHATE 122357 BETA-NAD+ 15938971 COENZYME II 15938972 SEDOHEPTULOSE 7-PHOSPHATE 165007 D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE) 21125049 NADP-REDUCED 22833512 CITRIC ACID 311 NADH 439153 FAD 46906035 MALIC ACID 525 ADENOSINE TRIPHOSPHATE 5957 ROBISON ESTER 5958 SUCROSE 5988 ADENOSINE 5'-DIPHOSPHATE 6022 ADENOSINE 5'-MONOPHOSPHATE 6083 GLYCERATE 3-PHOSPHATE 724 RIBOSE PHOSPHATE 77982 6-PHOSPHOGLUCONIC ACID 91493 ACETOACETYL-COA 92153 METABOLITES_END #END