#METABOLOMICS WORKBENCH araskind_20170619_180943 DATATRACK_ID:1044 STUDY_ID:ST000740 ANALYSIS_ID:AN001154 PROJECT_ID:PR000534 VERSION 1 CREATED_ON July 3, 2017, 1:42 pm #PROJECT PR:PROJECT_TITLE Quantitating the baseline FA composition in phospholipids in subgroups of tumor PR:PROJECT_TITLE cells PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Quantitating the baseline FA composition in phospholipids in subgroups of tumor PR:PROJECT_SUMMARY cells PR:INSTITUTE Cincinnati Children's Hospital Medical Center PR:DEPARTMENT Oncology PR:LABORATORY Dasgupta Lab PR:LAST_NAME Dasgupta PR:FIRST_NAME Biplab PR:ADDRESS Cincinnati, OH PR:EMAIL biplab.dasgupta@cchmc.org PR:PHONE 513-803-1370 #STUDY ST:STUDY_TITLE Quantitating the baseline fatty acid composition in phospholipids in subgroups ST:STUDY_TITLE of tumor cells ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Determine the capacity of control and experimental cells to convert stearate to ST:STUDY_SUMMARY oleate. Determine free 13C stearate/oleate or that in PC, PE and PI. 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 8 ST:TOTAL_SUBJECTS 10 #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 SU0016451 S00026325 Treatment:none | Type:HSCD SUBJECT_SAMPLE_FACTORS SU0016452 S00026326 Treatment:none | Type:LSCD SUBJECT_SAMPLE_FACTORS SU0016453 S00026327 Treatment:none | Type:WT SUBJECT_SAMPLE_FACTORS SU0016454 S00026328 Treatment:none | Type:HD SUBJECT_SAMPLE_FACTORS SU0016455 S00026329 Treatment:1% O2 | Type:WT SUBJECT_SAMPLE_FACTORS SU0016456 S00026330 Treatment:1% O2 | Type:WT SUBJECT_SAMPLE_FACTORS SU0016457 S00026331 Treatment:0.5% O2 | Type:WT SUBJECT_SAMPLE_FACTORS SU0016458 S00026332 Treatment:0.5% O2 | Type:WT SUBJECT_SAMPLE_FACTORS SU0016459 S00026333 Treatment:0.2% O2 | Type:WT SUBJECT_SAMPLE_FACTORS SU0016460 S00026334 Treatment:0.2% O2 | Type:WT #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 GC CH:INSTRUMENT_NAME Agilent 7890N CH:COLUMN_NAME Agilent HP5-MS (15m × 0.25mm, 0.25 um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A011 - Glycolysis-TCA-nucleotides.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 pmol/mg protein MS_METABOLITE_DATA_START Samples S00026325 S00026326 S00026327 S00026328 S00026329 S00026330 S00026331 S00026332 S00026333 S00026334 Factors Treatment:none | Type:HSCD Treatment:none | Type:LSCD Treatment:none | Type:WT Treatment:none | Type:HD Treatment:1% O2 | Type:WT Treatment:1% O2 | Type:WT Treatment:0.5% O2 | Type:WT Treatment:0.5% O2 | Type:WT Treatment:0.2% O2 | Type:WT Treatment:0.2% O2 | Type:WT PHOSPHOENOLPYRUVATE .37270088 .778507218 .747483868 .599495041 1.395802772 .912340854 1.392015039 1.566704513 1.09580323 1.542886341 D-ERYTHROSE 4-PHOSPHATE .513934143 .173652489 3.888624682 5.385374246 5.09881726 12.25200015 6.17841565 13.13218654 12.12522003 10.61196985 BETA-NAD+ 2.675531621 .546821211 2.7780116 .415290365 3.018601725 2.419447234 2.789270958 2.653010591 1.570669181 2.247642966 COENZYME II .408197263 .385788311 .564452435 .259755283 .59802609 .541107167 .364224595 .435026526 .390232091 .433048799 SEDOHEPTULOSE 7-PHOSPHATE 1.643588385 .622833638 .477964711 1.070199083 1.028392886 .906085545 .97546857 1.161533678 .806325674 .949724292 D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE) 2.537740332 12.80867823 4.341143 9.367340925 17.59734067 13.70370833 8.711226917 10.86512183 16.75209415 15.14289366 NADP-REDUCED 1.395086181 1.009383153 .940145989 .328705597 .953413104 .840595419 .89825629 .875425922 .647974555 .863086995 CITRIC ACID 15.94944135 13.49904706 14.78209717 7.454451571 12.99598947 11.71581538 13.20743423 12.62356853 11.51484753 15.76573332 NADH 4.430729551 6.947569219 4.20724172 4.604830411 13.8130496 11.3083049 7.430725442 9.560380038 10.01234047 10.83588994 FAD .420551543 .269450288 .273405221 .324742029 .348508863 .27643349 .247199626 .295154994 .218819966 .258865811 MALIC ACID 28.69232422 21.94631279 62.53033605 31.20519347 59.71980571 50.88849121 54.67201546 56.96589927 31.04639737 44.22809483 ADENOSINE TRIPHOSPHATE 7.96837251 21.70004849 19.44193562 18.8128403 39.13480564 35.49685757 36.39492941 50.73823061 46.928578 43.40084659 ROBISON ESTER 3.339657067 7.493919517 4.930004706 9.671904797 12.12793298 8.091065632 9.588463825 10.74987441 9.229569498 11.61375256 SUCROSE 8.371386565 4.7167886 13.86971029 4.743855243 15.25020485 13.65435078 12.63967309 12.74386691 8.96827474 10.52825458 ADENOSINE 5'-DIPHOSPHATE 9.134787338 1.195645349 5.976507304 1.775414644 3.173713844 2.341198638 3.32695899 3.533460728 1.868715463 3.667311268 ADENOSINE 5'-MONOPHOSPHATE 16.51125081 .639881631 2.230273968 .967782588 1.202444049 .651251987 .621010234 .660579567 .556660485 1.140129057 GLYCERATE 3-PHOSPHATE 7.078782871 27.58862548 25.40824007 23.19984998 48.05904903 37.32028775 43.76739143 57.19266922 44.87412857 48.70760217 RIBOSE PHOSPHATE 3.186674912 1.763678043 2.954468566 4.379851061 4.121493694 3.355012038 3.872426802 5.459348861 3.296317707 3.676945415 6-PHOSPHOGLUCONIC ACID .650492912 .543298904 .748032635 1.062829189 1.502591258 1.067513451 1.085760274 1.319325081 .995437996 1.256327817 ACETOACETYL-COA 0 0 0 0 0 0 0 0 0 0 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