{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001045","ANALYSIS_ID":"AN001709","VERSION":"1","CREATED_ON":"September 4, 2018, 12:14 pm"},

"PROJECT":{"PROJECT_TITLE":"The role of Fatty Acid Synthase (FASN) in Colorectal Cancer (CRC) metastasis","PROJECT_SUMMARY":"Determine the mechansims ( including alterations in metabolic pathways) that mediate the effect of FASN on metastasis in CRC","INSTITUTE":"University of Kentucky","DEPARTMENT":"Markey Cancer Center","LAST_NAME":"Zaytseva","FIRST_NAME":"Kate","ADDRESS":"B336-42, BBSRB 741 South Limestone Lexington, Kentucky 40536","EMAIL":"yyzayt2@uky.edu","PHONE":"000-000-0000"},

"STUDY":{"STUDY_TITLE":"FASN effect on HCT116 metabolism probed by 13C6-glucose tracer","STUDY_TYPE":"compare the metabolic pathways in control and stable FASN knockdown HCT116 cells using 13C Glc tracer","STUDY_SUMMARY":"13C6-glucose tracer used to track the effects of FASN on HCT116 CRC cells metabolism","INSTITUTE":"University of Kentucky","DEPARTMENT":"Markey Cancer Center","LAST_NAME":"Zaytseva","FIRST_NAME":"Kate","ADDRESS":"B336-42, BBSRB 741 South Limestone Lexington, Kentucky 40536","EMAIL":"yyzayt2@uky.edu","PHONE":"000-000-0000"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"1_ NTC _no label Glc",
"Factors":{"protocol.id":"12CGlc_NTC_shRNA"},
"Additional sample data":{"lineage_1":"1_ HCT116 NTC _no label Glc_plate","cell_type":"HCT116","plate_media_tare":"28.448","protocol.id":"12CGlc_NTC_shRNA","replicate":"1","species":"Homo sapiens","species_type":"Animal","taxonomy_id":"9606","lineage_2":"1_ HCT116 NTC _no label Glc_plate-cells","cell_type":"HCT116","protocol.id":"cell_quench_collection","lineage_3":"1_ HCT116 NTC _no label Glc_plate-cells-polar-GCMS_A","protocol.id":"polar_extraction","replicate":"1","type":"polar","weight":"0.1405","weight%units":"g"}
},
{
"Subject ID":"-",
"Sample ID":"2_ NTC _13C Glc_1",
"Factors":{"protocol.id":"13CGlc_NTC_shRNA"},
"Additional sample data":{"lineage_1":"2_ HCT116 NTC _13C Glc_1 plate","cell_type":"HCT116","plate_media_tare":"28.608","protocol.id":"13CGlc_NTC_shRNA","replicate":"2","species":"Homo sapiens","species_type":"Animal","taxonomy_id":"9606","lineage_2":"2_ HCT116 NTC _13C Glc_1 plate-cells","cell_type":"HCT116","protocol.id":"cell_quench_collection","lineage_3":"2_ HCT116 NTC _13C Glc_1 plate-cells-polar-GCMS_A","protocol.id":"polar_extraction","replicate":"1","type":"polar","weight":"0.1419","weight%units":"g"}
},
{
"Subject ID":"-",
"Sample ID":"3_ NTC _13C Glc_2",
"Factors":{"protocol.id":"13CGlc_NTC_shRNA"},
"Additional sample data":{"lineage_1":"3_ HCT116 NTC _13C Glc_2 plate","cell_type":"HCT116","plate_media_tare":"28.661","protocol.id":"13CGlc_NTC_shRNA","replicate":"3","species":"Homo sapiens","species_type":"Animal","taxonomy_id":"9606","lineage_2":"3_ HCT116 NTC _13C Glc_2 plate-cells","cell_type":"HCT116","protocol.id":"cell_quench_collection","lineage_3":"3_ HCT116 NTC _13C Glc_2 plate-cells-polar-GCMS_A","protocol.id":"polar_extraction","replicate":"1","type":"polar","weight":"0.1416","weight%units":"g"}
},
{
"Subject ID":"-",
"Sample ID":"4_ NTC _13C Glc_3",
"Factors":{"protocol.id":"13CGlc_NTC_shRNA"},
"Additional sample data":{"lineage_1":"4_ HCT116 NTC _13C Glc_3 plate","cell_type":"HCT116","plate_media_tare":"28.539","protocol.id":"13CGlc_NTC_shRNA","replicate":"1","species":"Homo sapiens","species_type":"Animal","taxonomy_id":"9606","lineage_2":"4_ HCT116 NTC _13C Glc_3 plate-cells","cell_type":"HCT116","protocol.id":"cell_quench_collection","lineage_3":"4_ HCT116 NTC _13C Glc_3 plate-cells-polar-GCMS_A","protocol.id":"polar_extraction","replicate":"1","type":"polar","weight":"0.1408","weight%units":"g"}
},
{
"Subject ID":"-",
"Sample ID":"5_ FASNsh_ no label Glc",
"Factors":{"protocol.id":"12CGlc_FASN_shRNA"},
"Additional sample data":{"lineage_1":"5_HCT116 FASNsh_ no label Glc_plate","cell_type":"HCT116","plate_media_tare":"29.037","protocol.id":"12CGlc_FASN_shRNA","replicate":"2","species":"Homo sapiens","species_type":"Animal","taxonomy_id":"9606","lineage_2":"5_HCT116 FASNsh_ no label Glc_plate-cells","cell_type":"HCT116","protocol.id":"cell_quench_collection","lineage_3":"5_HCT116 FASNsh_ no label Glc_plate-cells-polar-GCMS_A","protocol.id":"polar_extraction","replicate":"1","type":"polar","weight":"0.1456","weight%units":"g"}
},
{
"Subject ID":"-",
"Sample ID":"6_ FASNsh _13C Glc_1",
"Factors":{"protocol.id":"13CGlc_FASN_shRNA"},
"Additional sample data":{"lineage_1":"6_ HCT116 FASNsh _13C Glc_1plate","cell_type":"HCT116","plate_media_tare":"27.944","protocol.id":"13CGlc_FASN_shRNA","replicate":"3","species":"Homo sapiens","species_type":"Animal","taxonomy_id":"9606","lineage_2":"6_ HCT116 FASNsh _13C Glc_1plate-cells","cell_type":"HCT116","protocol.id":"cell_quench_collection","lineage_3":"6_ HCT116 FASNsh _13C Glc_1plate-cells-polar-GCMS_A","protocol.id":"polar_extraction","replicate":"1","type":"polar","weight":"0.1421","weight%units":"g"}
},
{
"Subject ID":"-",
"Sample ID":"7_ FASNsh _13C Glc_2",
"Factors":{"protocol.id":"13CGlc_FASN_shRNA"},
"Additional sample data":{"lineage_1":"7_ HCT116 FASNsh _13C Glc_2plate","cell_type":"HCT116","plate_media_tare":"28.963","protocol.id":"13CGlc_FASN_shRNA","replicate":"1","species":"Homo sapiens","species_type":"Animal","taxonomy_id":"9606","lineage_2":"7_ HCT116 FASNsh _13C Glc_2plate-cells","cell_type":"HCT116","protocol.id":"cell_quench_collection","lineage_3":"7_ HCT116 FASNsh _13C Glc_2plate-cells-polar-GCMS_A","protocol.id":"polar_extraction","replicate":"1","type":"polar","weight":"0.134","weight%units":"g"}
},
{
"Subject ID":"-",
"Sample ID":"8_ FASNsh _13C Glc_3",
"Factors":{"protocol.id":"13CGlc_FASN_shRNA"},
"Additional sample data":{"lineage_1":"8_ HCT116 FASNsh _13C Glc_3plate","cell_type":"HCT116","plate_media_tare":"28.948","protocol.id":"13CGlc_FASN_shRNA","replicate":"1","species":"Homo sapiens","species_type":"Animal","taxonomy_id":"9606","lineage_2":"8_ HCT116 FASNsh _13C Glc_3plate-cells","cell_type":"HCT116","protocol.id":"cell_quench_collection","lineage_3":"8_ HCT116 FASNsh _13C Glc_3plate-cells-polar-GCMS_A","protocol.id":"polar_extraction","replicate":"1","type":"polar","weight":"0.1414","weight%units":"g"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Collection and quench of cells in tissue culture Media is extracted from plate.","COLLECTION_PROTOCOL_ID":"cell_quench_collection cells_media","COLLECTION_PROTOCOL_FILENAME":"WS_Fan_Quench_cell_tissue.pdf","SAMPLE_TYPE":"Cultured cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"Grown in unlabeled glucose and transfected with FASN shRNA. Grown in unlabeled glucose and transfected with non targeted shRNA. Grown in labeled glucose and transfected with FASN shRNA. Grown in labeled glucose and transfected with non targeted shRNA.","TREATMENT_PROTOCOL_ID":"12CGlc_FASN_shRNA 12CGlc_NTC_shRNA 13CGlc_FASN_shRNA 13CGlc_NTC_shRNA"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Lipid extraction from cells. Polar extraction from cells. Protein extraction and quantification.","SAMPLEPREP_PROTOCOL_ID":"lipid_extraction polar_extraction protein_extraction","SAMPLEPREP_PROTOCOL_FILENAME":"WS_Fan_Extract_Polar_Lipid_Prot.pdf;WS_Fan_Prot_Quant.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Targeted GC","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"GC-EI-MS, Thermo ITQ","COLUMN_NAME":"SGE 0.15 mm i.d. x 50 m fused silica open-tubular column, coated with 0.25 µm BPX-5 (5% phenylmethyl- phenylsiloxane) BPX-5 (5% phenylmethyl- phenylsiloxane)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo ITQ","INSTRUMENT_TYPE":"GC-ITQ","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"GCMS Analytical Experiment with detection of compounds by comparison to standards. Derivitization is done with MTBSTFA (N-methyl-N-[tert-butyldimethylsilyl]trifluoroacetamide)."},

"MS_METABOLITE_DATA":{
"Units":"normalized peak area",

"Data":[{"Metabolite":"Ala-13C0","1_ NTC _no label Glc":"22.303530813562823","2_ NTC _13C Glc_1":"8.666848207164694","3_ NTC _13C Glc_2":"9.793566181146451","4_ NTC _13C Glc_3":"10.550741405476002","5_ FASNsh_ no label Glc":"21.398110064741683","6_ FASNsh _13C Glc_1":"10.881191707426648","7_ FASNsh _13C Glc_2":"14.888443594098959","8_ FASNsh _13C Glc_3":"12.791532477753663"},{"Metabolite":"Ala-13C1","1_ NTC _no label Glc":"1.305907454933121","2_ NTC _13C Glc_1":"0.44842177305496583","3_ NTC _13C Glc_2":"0.07524926789890499","4_ NTC _13C Glc_3":"0.9477565776260733","5_ FASNsh_ no label Glc":"0.2915992713087601","6_ FASNsh _13C Glc_1":"1.6755855876482633","7_ FASNsh _13C Glc_2":"0.307913203657911","8_ FASNsh _13C Glc_3":"0.9460497537184269"},{"Metabolite":"Ala-13C2","1_ NTC _no label Glc":"0.44554500722280627","2_ NTC _13C Glc_1":"1.1491066660775555","3_ NTC _13C Glc_2":"1.058550180518483","4_ NTC _13C Glc_3":"2.457823911708892","5_ FASNsh_ no label Glc":"0.4490018030903961","6_ FASNsh _13C Glc_1":"1.5441287045456478","7_ FASNsh _13C Glc_2":"1.7178304003180087","8_ FASNsh _13C Glc_3":"2.277906222551047"},{"Metabolite":"Ala-13C3","1_ NTC _no label Glc":"0","2_ NTC _13C Glc_1":"12.846806985314549","3_ NTC _13C Glc_2":"13.47409720059808","4_ NTC _13C Glc_3":"16.033147287754456","5_ FASNsh_ no label Glc":"0","6_ FASNsh _13C Glc_1":"12.93617400327418","7_ FASNsh _13C Glc_2":"16.14050914243129","8_ FASNsh _13C Glc_3":"17.27951715461871"},{"Metabolite":"Ala-ALL","1_ NTC _no label Glc":"24.054983275718747","2_ NTC _13C Glc_1":"23.111183631611766","3_ NTC _13C Glc_2":"24.40146283016192","4_ NTC _13C Glc_3":"29.989469182565422","5_ FASNsh_ no label Glc":"22.13871113914084","6_ FASNsh _13C Glc_1":"27.03708000289474","7_ FASNsh _13C Glc_2":"33.05469634050617","8_ FASNsh _13C Glc_3":"33.295005608641844"},{"Metabolite":"Arg-13C0","1_ NTC _no label Glc":"11.50526175439568","2_ NTC _13C Glc_1":"15.636982957069193","3_ NTC _13C Glc_2":"16.269799054506986","4_ NTC _13C Glc_3":"21.49677785521408","5_ FASNsh_ no label Glc":"11.851224433945378","6_ FASNsh _13C Glc_1":"21.96630431814519","7_ FASNsh _13C Glc_2":"24.808023460658028","8_ FASNsh _13C Glc_3":"28.25943719588181"},{"Metabolite":"Arg-13C1","1_ NTC _no label Glc":"1.4864472753949836","2_ NTC _13C Glc_1":"1.5322299282555978","3_ NTC _13C Glc_2":"2.898007415915064","4_ NTC _13C Glc_3":"4.122315414188443","5_ FASNsh_ no label Glc":"2.372709621109968","6_ FASNsh _13C Glc_1":"2.5374483939074697","7_ FASNsh _13C Glc_2":"1.9671507234121075","8_ FASNsh _13C Glc_3":"3.543251838339393"},{"Metabolite":"Arg-13C2","1_ NTC _no label Glc":"0.29914189505445576","2_ NTC _13C Glc_1":"0.26134554042344704","3_ NTC _13C Glc_2":"0.9502900717407978","4_ NTC _13C Glc_3":"1.6915741394178683","5_ FASNsh_ no label Glc":"0.2205484816220982","6_ FASNsh _13C Glc_1":"0.3793492647948578","7_ FASNsh _13C Glc_2":"1.1124094032031608","8_ FASNsh _13C Glc_3":"0"},{"Metabolite":"Arg-13C3","1_ NTC _no label Glc":"0.48348631789671187","2_ NTC _13C Glc_1":"0.5819737585915711","3_ NTC _13C Glc_2":"0.594257153934309","4_ NTC _13C Glc_3":"0.2686477514506049","5_ FASNsh_ no label Glc":"0.44387329897627276","6_ FASNsh _13C Glc_1":"0.12501286173595902","7_ FASNsh _13C Glc_2":"0","8_ FASNsh _13C Glc_3":"0"},{"Metabolite":"Arg-13C4","1_ NTC _no label Glc":"0.3837081149569703","2_ NTC _13C Glc_1":"0","3_ NTC _13C Glc_2":"0.005278122133417606","4_ NTC _13C Glc_3":"0.31874599811763454","5_ FASNsh_ no label Glc":"0","6_ FASNsh _13C Glc_1":"0.13965582882831276","7_ FASNsh _13C Glc_2":"0","8_ FASNsh _13C Glc_3":"0.4071273653505295"},{"Metabolite":"Arg-13C5","1_ NTC _no label Glc":"0.06295863231642139","2_ NTC _13C Glc_1":"0","3_ NTC _13C Glc_2":"0","4_ NTC _13C Glc_3":"0","5_ FASNsh_ no label Glc":"0","6_ FASNsh _13C Glc_1":"0","7_ FASNsh _13C Glc_2":"0","8_ FASNsh _13C Glc_3":"0"},{"Metabolite":"Arg-13C6","1_ NTC _no label Glc":"0","2_ NTC _13C Glc_1":"0","3_ NTC _13C Glc_2":"0","4_ NTC _13C Glc_3":"0.2312685597032441","5_ FASNsh_ no label Glc":"0","6_ FASNsh _13C Glc_1":"0","7_ FASNsh _13C Glc_2":"0","8_ FASNsh _13C Glc_3":"0"},{"Metabolite":"Arg-ALL","1_ NTC _no label Glc":"14.221003990015223","2_ NTC _13C Glc_1":"18.012532184339808","3_ NTC _13C Glc_2":"20.717631818230576","4_ NTC _13C Glc_3":"28.129329718091874","5_ FASNsh_ no label Glc":"14.888355835653716","6_ FASNsh _13C Glc_1":"25.14777066741179","7_ FASNsh _13C Glc_2":"27.887583587273294","8_ FASNsh _13C Glc_3":"32.209816399571736"},{"Metabolite":"Asn-13C0","1_ NTC _no label Glc":"10.396182658106143","2_ NTC _13C Glc_1":"5.835435529811785","3_ NTC _13C Glc_2":"7.891737966705321","4_ NTC _13C Glc_3":"9.718135259093792","5_ FASNsh_ no label Glc":"9.57141652228173","6_ FASNsh _13C Glc_1":"7.491920532312119","7_ FASNsh _13C Glc_2":"8.95256673000361","8_ FASNsh _13C Glc_3":"9.321871668169347"},{"Metabolite":"Asn-13C1","1_ NTC _no label Glc":"0.38610717966097435","2_ NTC _13C Glc_1":"0.9158013821508543","3_ NTC _13C Glc_2":"0.8571456792843788","4_ NTC _13C Glc_3":"0.6274897767992698","5_ FASNsh_ no label Glc":"0.1360725250838961","6_ FASNsh _13C Glc_1":"0.9256753262119496","7_ FASNsh _13C Glc_2":"0.4482874054110169","8_ FASNsh _13C Glc_3":"1.284806060674869"},{"Metabolite":"Asn-13C2","1_ NTC _no label Glc":"0.04666185865058711","2_ NTC _13C Glc_1":"2.1331178577644896","3_ NTC _13C Glc_2":"2.519527691159688","4_ NTC _13C Glc_3":"2.6202791582777816","5_ FASNsh_ no label Glc":"0","6_ FASNsh _13C Glc_1":"2.187129370251289","7_ FASNsh _13C Glc_2":"2.5171622828885485","8_ FASNsh _13C Glc_3":"2.5494427778425766"},{"Metabolite":"Asn-13C3","1_ NTC _no label Glc":"0","2_ NTC _13C Glc_1":"1.2185426918343336","3_ NTC _13C Glc_2":"1.5550140420536376","4_ NTC _13C Glc_3":"1.6592995891229456","5_ FASNsh_ no label Glc":"0.06318880440300885","6_ FASNsh _13C Glc_1":"1.1609151455841809","7_ FASNsh _13C Glc_2":"1.8804438222783282","8_ FASNsh _13C Glc_3":"2.0404634228192973"},{"Metabolite":"Asn-13C4","1_ NTC _no label Glc":"0.014855543594528415","2_ NTC _13C Glc_1":"0.41137097446597276","3_ NTC _13C Glc_2":"0.45633321483829575","4_ NTC _13C Glc_3":"0.2001373861967084","5_ FASNsh_ no label Glc":"0.037881043812541614","6_ FASNsh _13C Glc_1":"0.5020892262280783","7_ FASNsh _13C Glc_2":"0.340704782429852","8_ FASNsh _13C Glc_3":"0.4028582632389049"},{"Metabolite":"Asn-ALL","1_ NTC _no label Glc":"10.843807240012234","2_ NTC _13C Glc_1":"10.514268436027434","3_ NTC _13C Glc_2":"13.27975859404132","4_ NTC _13C Glc_3":"14.825341169490496","5_ FASNsh_ no label Glc":"9.808558895581177","6_ FASNsh _13C Glc_1":"12.267729600587616","7_ FASNsh _13C Glc_2":"14.139165023011357","8_ FASNsh _13C Glc_3":"15.599442192744995"},{"Metabolite":"Asp-13C0","1_ NTC _no label Glc":"81.53946795647249","2_ NTC _13C Glc_1":"45.858021707055016","3_ NTC _13C Glc_2":"45.28810560569654","4_ NTC _13C Glc_3":"48.681992054259","5_ FASNsh_ no label Glc":"65.46193508773374","6_ FASNsh _13C Glc_1":"53.324037849003325","7_ FASNsh _13C Glc_2":"54.633793271163505","8_ FASNsh _13C Glc_3":"55.22087937895932"},{"Metabolite":"Asp-13C1","1_ NTC _no label Glc":"3.588744496646095","2_ NTC _13C Glc_1":"6.28774716883767","3_ NTC _13C Glc_2":"6.1697699985630505","4_ NTC _13C Glc_3":"6.453116634786341","5_ FASNsh_ no label Glc":"3.9662337869821322","6_ FASNsh _13C Glc_1":"3.835402318126685","7_ FASNsh _13C Glc_2":"8.0603760342177","8_ FASNsh _13C Glc_3":"6.8130512186114895"},{"Metabolite":"Asp-13C2","1_ NTC _no label Glc":"0.3418365435733453","2_ NTC _13C Glc_1":"15.060807071626861","3_ NTC _13C Glc_2":"13.623884968009898","4_ NTC _13C Glc_3":"19.369148989623618","5_ FASNsh_ no label Glc":"0.020113235033377714","6_ FASNsh _13C Glc_1":"15.106076100277415","7_ FASNsh _13C Glc_2":"20.203016378495658","8_ FASNsh _13C Glc_3":"18.173149397221895"},{"Metabolite":"Asp-13C3","1_ NTC _no label Glc":"0.5619307090982407","2_ NTC _13C Glc_1":"9.85219199750911","3_ NTC _13C Glc_2":"11.945181931004146","4_ NTC _13C 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_13C Glc_3":"0.010916373965616948","5_ FASNsh_ no label Glc":"0","6_ FASNsh _13C Glc_1":"0.012223482701450275","7_ FASNsh _13C Glc_2":"0.017985675245228913","8_ FASNsh _13C Glc_3":"0.013994606224172965"},{"Metabolite":"t-aconitate-ALL","1_ NTC _no label Glc":"0.261706682886911","2_ NTC _13C Glc_1":"0.28228247338832213","3_ NTC _13C Glc_2":"0.30739304895281405","4_ NTC _13C Glc_3":"0.35989645048626573","5_ FASNsh_ no label Glc":"0.2911122985749514","6_ FASNsh _13C Glc_1":"0.6035563211396839","7_ FASNsh _13C Glc_2":"0.41695297094489336","8_ FASNsh _13C Glc_3":"0.46259509047025127"}],

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}

}