{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000003","ANALYSIS_ID":"AN000003","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Metabolomic analysis of mouse embryonic fibroblasts, embryonic stem cells, and pluripotent stem cells","PROJECT_TYPE":"MS study","PROJECT_SUMMARY":"-","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome Center","LABORATORY":"Fiehn Laboratory","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"451 Health Sci Drive, Davis, CA 95616","EMAIL":"ofiehn@ucdavis.edu","PHONE":"530-754-8258","FUNDING_SOURCE":"California Institute for Regenerative Medicine grant RN2-00922, National of Health grant 1R01GM100782, National Institutes of Health grant R01 DK078328, National Science Foundation grant MCB-1139644"},

"STUDY":{"STUDY_TITLE":"Metabolomic analysis of mouse embryonic fibroblasts, embryonic stem cells, and pluripotent stem cells","STUDY_TYPE":"Cell Type Comparison","STUDY_SUMMARY":"mouse embryonic fibroblasts, embryonic stem cells, and induced pluripotent stem were compared via metabolomic analysis","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome Center","LABORATORY":"Fiehn Laboratory","LAST_NAME":"Meissen","FIRST_NAME":"John","ADDRESS":"451 Health Sci Drive, Davis, CA 95616","EMAIL":"jkmeissen@ucdavis.edu","PHONE":"530-752-9922","NUM_GROUPS":"3","TOTAL_SUBJECTS":"18"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","AGE_OR_AGE_RANGE":"Embryo","SPECIES_GROUP":"Mammal"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"m15-T1R1",
"Factors":{"Mouse Cell Line":"embryonic fibroblast"}
},
{
"Subject ID":"-",
"Sample ID":"m15-T1R2",
"Factors":{"Mouse Cell Line":"embryonic fibroblast"}
},
{
"Subject ID":"-",
"Sample ID":"m15-T1R3",
"Factors":{"Mouse Cell Line":"embryonic fibroblast"}
},
{
"Subject ID":"-",
"Sample ID":"m15-T2R1",
"Factors":{"Mouse Cell Line":"embryonic fibroblast"}
},
{
"Subject ID":"-",
"Sample ID":"m15-T2R2",
"Factors":{"Mouse Cell Line":"embryonic fibroblast"}
},
{
"Subject ID":"-",
"Sample ID":"m15-T2R3",
"Factors":{"Mouse Cell Line":"embryonic fibroblast"}
},
{
"Subject ID":"-",
"Sample ID":"mESC-T1R1",
"Factors":{"Mouse Cell Line":"embryonic stem cell"}
},
{
"Subject ID":"-",
"Sample ID":"mESC-T1R2",
"Factors":{"Mouse Cell Line":"embryonic stem cell"}
},
{
"Subject ID":"-",
"Sample ID":"mESC-T1R3",
"Factors":{"Mouse Cell Line":"embryonic stem cell"}
},
{
"Subject ID":"-",
"Sample ID":"mESC-T2R1",
"Factors":{"Mouse Cell Line":"embryonic stem cell"}
},
{
"Subject ID":"-",
"Sample ID":"mESC-T2R2",
"Factors":{"Mouse Cell Line":"embryonic stem cell"}
},
{
"Subject ID":"-",
"Sample ID":"mESC-T2R3",
"Factors":{"Mouse Cell Line":"embryonic stem cell"}
},
{
"Subject ID":"-",
"Sample ID":"iPSC-T1R1",
"Factors":{"Mouse Cell Line":"iPSC"}
},
{
"Subject ID":"-",
"Sample ID":"iPSC-T1R2",
"Factors":{"Mouse Cell Line":"iPSC"}
},
{
"Subject ID":"-",
"Sample ID":"iPSC-T1R3",
"Factors":{"Mouse Cell Line":"iPSC"}
},
{
"Subject ID":"-",
"Sample ID":"iPSC-T2R1",
"Factors":{"Mouse Cell Line":"iPSC"}
},
{
"Subject ID":"-",
"Sample ID":"iPSC-T2R2",
"Factors":{"Mouse Cell Line":"iPSC"}
},
{
"Subject ID":"-",
"Sample ID":"iPSC-T2R3",
"Factors":{"Mouse Cell Line":"iPSC"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-"},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Cold Methanol Extraction","PROCESSING_METHOD":"Homogenization and Solvent Removal w/ Speed Vac","PROCESSING_STORAGE_CONDITIONS":"On Ice","EXTRACTION_METHOD":"3:1 MeOH/H2O","EXTRACT_STORAGE":"-80C","SAMPLE_RESUSPENSION":"100 uL of 9:1 ACN/H2O with 5mM NH4OAc + 0.2% Acetic Acid","CELL_TYPE":"embryonic fibroblasts, embronic stem cells, induced pluripotent stem cells"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Untargeted HILIC Method","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Agilent 1290 Infinity","COLUMN_NAME":"Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)","COLUMN_PRESSURE":"300 Bar (Max)","COLUMN_TEMPERATURE":"40","FLOW_GRADIENT":"0-4 min - 0% B, 4-12 min - Gradient to 45% B, 12-20 min - 45% B","FLOW_RATE":"0.25 mL/min","INJECTION_TEMPERATURE":"4 C","SAMPLE_INJECTION":"5 uL","SOLVENT_A":"H2O + 5mM NH4OAc + 0.2% Acetic Acid","SOLVENT_B":"9:1 Acetonitrile:H2O + 5mM NH4OAc + 0.2% Acetic Acid","ANALYTICAL_TIME":"20 min"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Fiehn Laboratory","ACQUISITION_DATE":"05-16-2011","SOFTWARE_VERSION":"B02","OPERATOR_NAME":"John Meissen"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6530 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","COLLISION_ENERGY":"Ramped - 0.02eV/m/z + 10 eV","COLLISION_GAS":"N2","DRY_GAS_FLOW":"Neb - 10 L/min, Sheath 9 L/min","DRY_GAS_TEMP":"Neb/Sheath - 350C","GAS_PRESSURE":"35 PSI","IONIZATION":"Electrospray Ionization","MASS_ACCURACY":"<1.5 mDa","DATAFORMAT":".d","SCAN_RANGE_MOVERZ":"100-1700"},

"MS_METABOLITE_DATA":{
"Units":"Peak height",

"Data":[{"Metabolite":"Acetylcarnitine","m15-T1R1":"58040.0000","m15-T1R2":"60942.0000","m15-T1R3":"78014.0000","m15-T2R1":"14093.0000","m15-T2R2":"17948.0000","m15-T2R3":"17926.0000","mESC-T1R1":"59787.0000","mESC-T1R2":"58049.0000","mESC-T1R3":"60402.0000","mESC-T2R1":"5318.0000","mESC-T2R2":"5925.0000","mESC-T2R3":"5779.0000","iPSC-T1R1":"23803.0000","iPSC-T1R2":"25064.0000","iPSC-T1R3":"28873.0000","iPSC-T2R1":"10445.0000","iPSC-T2R2":"13572.0000","iPSC-T2R3":"13467.0000"},{"Metabolite":"Betaine","m15-T1R1":"104109.0000","m15-T1R2":"116864.0000","m15-T1R3":"123262.0000","m15-T2R1":"18045.0000","m15-T2R2":"25772.0000","m15-T2R3":"29957.0000","mESC-T1R1":"102812.0000","mESC-T1R2":"97364.0000","mESC-T1R3":"117925.0000","mESC-T2R1":"9071.0000","mESC-T2R2":"9486.0000","mESC-T2R3":"9903.0000","iPSC-T1R1":"144301.0000","iPSC-T1R2":"146452.0000","iPSC-T1R3":"159604.0000","iPSC-T2R1":"54013.0000","iPSC-T2R2":"55288.0000","iPSC-T2R3":"50295.0000"},{"Metabolite":"Butyryl carnitine","m15-T1R1":"4748.0000","m15-T1R2":"7944.0000","m15-T1R3":"6328.0000","m15-T2R1":"6241.0000","m15-T2R2":"7011.0000","m15-T2R3":"7777.0000","mESC-T1R1":"8756.0000","mESC-T1R2":"8075.0000","mESC-T1R3":"8320.0000","mESC-T2R1":"2620.0000","mESC-T2R2":"1843.0000","mESC-T2R3":"2156.0000","iPSC-T1R1":"2875.0000","iPSC-T1R2":"3040.0000","iPSC-T1R3":"3573.0000","iPSC-T2R1":"2267.0000","iPSC-T2R2":"1956.0000","iPSC-T2R3":"1746.0000"},{"Metabolite":"Carnitine","m15-T1R1":"82978.0000","m15-T1R2":"62559.0000","m15-T1R3":"104781.0000","m15-T2R1":"15399.0000","m15-T2R2":"15273.0000","m15-T2R3":"18291.0000","mESC-T1R1":"89799.0000","mESC-T1R2":"91218.0000","mESC-T1R3":"95964.0000","mESC-T2R1":"6057.0000","mESC-T2R2":"9526.0000","mESC-T2R3":"8107.0000","iPSC-T1R1":"43557.0000","iPSC-T1R2":"49718.0000","iPSC-T1R3":"58249.0000","iPSC-T2R1":"16884.0000","iPSC-T2R2":"12434.0000","iPSC-T2R3":"17086.0000"},{"Metabolite":"Creatine","m15-T1R1":"298459.0000","m15-T1R2":"204896.0000","m15-T1R3":"373895.0000","m15-T2R1":"30721.0000","m15-T2R2":"40126.0000","m15-T2R3":"42868.0000","mESC-T1R1":"863781.0000","mESC-T1R2":"823663.0000","mESC-T1R3":"903878.0000","mESC-T2R1":"15248.0000","mESC-T2R2":"27482.0000","mESC-T2R3":"21785.0000","iPSC-T1R1":"465781.0000","iPSC-T1R2":"456427.0000","iPSC-T1R3":"494302.0000","iPSC-T2R1":"39520.0000","iPSC-T2R2":"36568.0000","iPSC-T2R3":"48141.0000"},{"Metabolite":"lysoPC 14:0","m15-T1R1":"3261.0000","m15-T1R2":"6972.0000","m15-T1R3":"5103.0000","m15-T2R1":"5683.0000","m15-T2R2":"5496.0000","m15-T2R3":"5604.0000","mESC-T1R1":"3304.0000","mESC-T1R2":"2519.0000","mESC-T1R3":"3752.0000","mESC-T2R1":"6486.0000","mESC-T2R2":"6668.0000","mESC-T2R3":"6925.0000","iPSC-T1R1":"1771.0000","iPSC-T1R2":"1438.0000","iPSC-T1R3":"1827.0000","iPSC-T2R1":"4500.0000","iPSC-T2R2":"2501.0000","iPSC-T2R3":"3434.0000"},{"Metabolite":"lysoPC 16:0","m15-T1R1":"134478.0000","m15-T1R2":"225115.0000","m15-T1R3":"174603.0000","m15-T2R1":"152838.0000","m15-T2R2":"172888.0000","m15-T2R3":"154558.0000","mESC-T1R1":"141401.0000","mESC-T1R2":"142072.0000","mESC-T1R3":"141988.0000","mESC-T2R1":"164749.0000","mESC-T2R2":"161136.0000","mESC-T2R3":"162089.0000","iPSC-T1R1":"66055.0000","iPSC-T1R2":"62401.0000","iPSC-T1R3":"64752.0000","iPSC-T2R1":"106424.0000","iPSC-T2R2":"79105.0000","iPSC-T2R3":"89241.0000"},{"Metabolite":"lysoPC 16:1","m15-T1R1":"12788.0000","m15-T1R2":"17977.0000","m15-T1R3":"13343.0000","m15-T2R1":"13782.0000","m15-T2R2":"14454.0000","m15-T2R3":"15070.0000","mESC-T1R1":"4214.0000","mESC-T1R2":"4256.0000","mESC-T1R3":"5938.0000","mESC-T2R1":"19408.0000","mESC-T2R2":"15451.0000","mESC-T2R3":"18290.0000","iPSC-T1R1":"2212.0000","iPSC-T1R2":"2663.0000","iPSC-T1R3":"3297.0000","iPSC-T2R1":"14685.0000","iPSC-T2R2":"8383.0000","iPSC-T2R3":"11877.0000"},{"Metabolite":"lysoPC 18:0","m15-T1R1":"145222.0000","m15-T1R2":"204910.0000","m15-T1R3":"168732.0000","m15-T2R1":"127989.0000","m15-T2R2":"146755.0000","m15-T2R3":"129175.0000","mESC-T1R1":"236806.0000","mESC-T1R2":"223285.0000","mESC-T1R3":"221103.0000","mESC-T2R1":"172712.0000","mESC-T2R2":"162789.0000","mESC-T2R3":"159881.0000","iPSC-T1R1":"108693.0000","iPSC-T1R2":"103626.0000","iPSC-T1R3":"113683.0000","iPSC-T2R1":"108808.0000","iPSC-T2R2":"93930.0000","iPSC-T2R3":"93300.0000"},{"Metabolite":"lysoPC 18:1","m15-T1R1":"118673.0000","m15-T1R2":"145841.0000","m15-T1R3":"114514.0000","m15-T2R1":"76747.0000","m15-T2R2":"81848.0000","m15-T2R3":"82498.0000","mESC-T1R1":"32849.0000","mESC-T1R2":"30477.0000","mESC-T1R3":"36011.0000","mESC-T2R1":"90416.0000","mESC-T2R2":"84608.0000","mESC-T2R3":"88758.0000","iPSC-T1R1":"17191.0000","iPSC-T1R2":"17167.0000","iPSC-T1R3":"17290.0000","iPSC-T2R1":"73596.0000","iPSC-T2R2":"42590.0000","iPSC-T2R3":"60631.0000"},{"Metabolite":"lysoPE 18:1","m15-T1R1":"18040.0000","m15-T1R2":"25374.0000","m15-T1R3":"22821.0000","m15-T2R1":"8912.0000","m15-T2R2":"16891.0000","m15-T2R3":"8557.0000","mESC-T1R1":"2420.0000","mESC-T1R2":"2808.0000","mESC-T1R3":"2950.0000","mESC-T2R1":"4769.0000","mESC-T2R2":"3810.0000","mESC-T2R3":"4485.0000","iPSC-T1R1":"2066.0000","iPSC-T1R2":"1706.0000","iPSC-T1R3":"2133.0000","iPSC-T2R1":"5902.0000","iPSC-T2R2":"5823.0000","iPSC-T2R3":"6020.0000"},{"Metabolite":"Pantothenic Acid","m15-T1R1":"11909.0000","m15-T1R2":"15376.0000","m15-T1R3":"14255.0000","m15-T2R1":"17510.0000","m15-T2R2":"19908.0000","m15-T2R3":"18640.0000","mESC-T1R1":"17575.0000","mESC-T1R2":"18093.0000","mESC-T1R3":"19692.0000","mESC-T2R1":"5397.0000","mESC-T2R2":"4725.0000","mESC-T2R3":"5208.0000","iPSC-T1R1":"10585.0000","iPSC-T1R2":"9483.0000","iPSC-T1R3":"11310.0000","iPSC-T2R1":"8283.0000","iPSC-T2R2":"7752.0000","iPSC-T2R3":"8117.0000"},{"Metabolite":"PC 30:0","m15-T1R1":"839920.0000","m15-T1R2":"421555.0000","m15-T1R3":"894680.0000","m15-T2R1":"978676.0000","m15-T2R2":"928944.0000","m15-T2R3":"945656.0000","mESC-T1R1":"757892.0000","mESC-T1R2":"1205728.0000","mESC-T1R3":"1054442.0000","mESC-T2R1":"834070.0000","mESC-T2R2":"781688.0000","mESC-T2R3":"797497.0000","iPSC-T1R1":"759439.0000","iPSC-T1R2":"718293.0000","iPSC-T1R3":"301996.0000","iPSC-T2R1":"568769.0000","iPSC-T2R2":"592863.0000","iPSC-T2R3":"573382.0000"},{"Metabolite":"PC 32:0","m15-T1R1":"544338.0000","m15-T1R2":"429268.0000","m15-T1R3":"598728.0000","m15-T2R1":"1018364.0000","m15-T2R2":"897851.0000","m15-T2R3":"886129.0000","mESC-T1R1":"1583965.0000","mESC-T1R2":"831637.0000","mESC-T1R3":"1343702.0000","mESC-T2R1":"1251078.0000","mESC-T2R2":"1240577.0000","mESC-T2R3":"1182535.0000","iPSC-T1R1":"756521.0000","iPSC-T1R2":"1739192.0000","iPSC-T1R3":"845866.0000","iPSC-T2R1":"841348.0000","iPSC-T2R2":"1035751.0000","iPSC-T2R3":"890936.0000"},{"Metabolite":"PC 32:1","m15-T1R1":"801055.0000","m15-T1R2":"907726.0000","m15-T1R3":"528219.0000","m15-T2R1":"1451514.0000","m15-T2R2":"1484609.0000","m15-T2R3":"1413636.0000","mESC-T1R1":"1521451.0000","mESC-T1R2":"570753.0000","mESC-T1R3":"734753.0000","mESC-T2R1":"1017944.0000","mESC-T2R2":"1131446.0000","mESC-T2R3":"1173389.0000","iPSC-T1R1":"679077.0000","iPSC-T1R2":"1025469.0000","iPSC-T1R3":"803417.0000","iPSC-T2R1":"902646.0000","iPSC-T2R2":"1071880.0000","iPSC-T2R3":"1068033.0000"},{"Metabolite":"PC 32:2","m15-T1R1":"64893.0000","m15-T1R2":"86538.0000","m15-T1R3":"41694.0000","m15-T2R1":"142324.0000","m15-T2R2":"153366.0000","m15-T2R3":"137326.0000","mESC-T1R1":"144965.0000","mESC-T1R2":"53367.0000","mESC-T1R3":"55667.0000","mESC-T2R1":"85413.0000","mESC-T2R2":"95926.0000","mESC-T2R3":"101333.0000","iPSC-T1R1":"52805.0000","iPSC-T1R2":"73243.0000","iPSC-T1R3":"58201.0000","iPSC-T2R1":"89078.0000","iPSC-T2R2":"101109.0000","iPSC-T2R3":"101431.0000"},{"Metabolite":"PC 34:1","m15-T1R1":"1756312.0000","m15-T1R2":"2451924.0000","m15-T1R3":"1826050.0000","m15-T2R1":"2202415.0000","m15-T2R2":"2147170.0000","m15-T2R3":"2263237.0000","mESC-T1R1":"1227602.0000","mESC-T1R2":"1506609.0000","mESC-T1R3":"1536178.0000","mESC-T2R1":"2111064.0000","mESC-T2R2":"2080481.0000","mESC-T2R3":"2081990.0000","iPSC-T1R1":"1576150.0000","iPSC-T1R2":"1522380.0000","iPSC-T1R3":"1748498.0000","iPSC-T2R1":"2129400.0000","iPSC-T2R2":"2056885.0000","iPSC-T2R3":"2136938.0000"},{"Metabolite":"PC 34:2","m15-T1R1":"883172.0000","m15-T1R2":"1156961.0000","m15-T1R3":"753283.0000","m15-T2R1":"873803.0000","m15-T2R2":"879286.0000","m15-T2R3":"876678.0000","mESC-T1R1":"364659.0000","mESC-T1R2":"591438.0000","mESC-T1R3":"534986.0000","mESC-T2R1":"790404.0000","mESC-T2R2":"803803.0000","mESC-T2R3":"827497.0000","iPSC-T1R1":"673345.0000","iPSC-T1R2":"421992.0000","iPSC-T1R3":"717716.0000","iPSC-T2R1":"785359.0000","iPSC-T2R2":"723090.0000","iPSC-T2R3":"763190.0000"},{"Metabolite":"PC 36:2","m15-T1R1":"1654801.0000","m15-T1R2":"2164913.0000","m15-T1R3":"1660910.0000","m15-T2R1":"1580341.0000","m15-T2R2":"1592736.0000","m15-T2R3":"1612743.0000","mESC-T1R1":"897037.0000","mESC-T1R2":"1068327.0000","mESC-T1R3":"980229.0000","mESC-T2R1":"1373542.0000","mESC-T2R2":"1328310.0000","mESC-T2R3":"1322131.0000","iPSC-T1R1":"1249482.0000","iPSC-T1R2":"1027532.0000","iPSC-T1R3":"1342944.0000","iPSC-T2R1":"1505705.0000","iPSC-T2R2":"1389211.0000","iPSC-T2R3":"1449321.0000"},{"Metabolite":"PC 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