{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001133","ANALYSIS_ID":"AN001858","VERSION":"1","CREATED_ON":"February 7, 2019, 6:31 pm"},

"PROJECT":{"PROJECT_TITLE":"Downregulation of CENPF epigenetically remodels prostate cancer cells and alters cellular metabolism","PROJECT_SUMMARY":"This study aimed to determine the metabolic profile of CENPF-knockout (CENPFKO) PC cells and identify differentially expressed metabolites (DEMs) that can be used as diagnostic markers.","INSTITUTE":"Cedars-Sinai Medical Center","DEPARTMENT":"Departments of Surgery and Biomedical Sciences","LAST_NAME":"Kim","FIRST_NAME":"Jayoung","ADDRESS":"8700 Beverly Blvd., Davis 5071 Los Angeles, CA 90048, USA","EMAIL":"Jayoung.Kim@cshs.org","PHONE":"310-423-7168"},

"STUDY":{"STUDY_TITLE":"Downregulation of CENPF epigenetically remodels prostate cancer cells and alters cellular metabolism","STUDY_SUMMARY":"This study aimed to determine the metabolic profile of CENPF-knockout (CENPFKO) PC cells and identify differentially expressed metabolites (DEMs) that can be used as diagnostic markers.","INSTITUTE":"Cedars-Sinai Medical Center","LAST_NAME":"Kim","FIRST_NAME":"Jayoung","ADDRESS":"8700 Beverly Blvd., Davis 5071 Los Angeles, CA 90048, USA","EMAIL":"Jayoung.Kim@cshs.org","PHONE":"310-423-7168"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Not applicable"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"PC3_CENPF_KO_004",
"Factors":{"CENPF":"KO"}
},
{
"Subject ID":"-",
"Sample ID":"PC3_CENPF_KO_005",
"Factors":{"CENPF":"KO"}
},
{
"Subject ID":"-",
"Sample ID":"PC3_CENPF_KO_006",
"Factors":{"CENPF":"KO"}
},
{
"Subject ID":"-",
"Sample ID":"PC3_001",
"Factors":{"CENPF":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"PC3_002",
"Factors":{"CENPF":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"PC3_003",
"Factors":{"CENPF":"Control"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Human PC3 cells were obtained from American Type Culture Collection (ATCC, Manassas, VA, USA).","SAMPLE_TYPE":"Prostate"},

"TREATMENT":{"TREATMENT_SUMMARY":"CENPFKO PC3 cell line was constructed using the CRISPR/Cas9 system by ALSTEM, LLC (Richmond, CA)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples were dissolved in 1 ml -20'C mixture of acetonitrile, isopropanol, and water (3:3:2 v/v) at a pH of 7. The solution was then vortexed at 4'C for 5 min. Samples were centrifuged for 2 min at 14,000 rcf and 500 ul were aliquoted. The aliquots were then evaporated in a Labconco Centrivap Cold Trap to complete dryness. The methoximation step was performed using a 10 ul solution of 40 mg/ml O-methylhydroxylamine hydrochloride (CAS: [593-56-6]; Formula: CH5NO.HCl) and shaken for 90 min at 30C. Then, 90 ul of N-methyl-N-trimethylsilyltrifluoroacetamide (MSTFA) was added and the solution was shaken for 30 min at 37'C. After, a 1 ul mixture of fatty acid methyl ester (FAME) retention time markers were added. The mixture was transferred to amber crimp autosampler vials."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"An Agilent 6890GC with an Agilent 6890 Split/Splitless Injector was used. The column used was a Restek RTX-5Sil MS (95% dimethyl/5% diphenyl polysiloxane) with a 30 m length, 0.25 mm i.d., 0.25 um film thickness, and an additional 10 m guard column.","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 6890N","COLUMN_NAME":"Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um)"},

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

"MS":{"INSTRUMENT_NAME":"Leco Pegasus IV TOF","INSTRUMENT_TYPE":"GC x GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"Detection or deconvolution of peaks and compounds was performed using the Leco ChromaTOF software. Spectra were matched against the FiehnLib Mass Spectral and Retention Index Library.Post-curation and peak replacements were done using the in-house developed BinBase software, which was set as follows: validity of chromatogram (<10 peaks with intensities >107 counts/sec), unbiased retention index marker detection (MS similarity >800, validity of intensity range for high m/z marker ions), and retention index calculation by 5th order polynomial regression.","MS_RESULTS_FILE":"ST001133_AN001858_Results.txt UNITS:normalized intensity Has m/z:Yes Has RT:No RT units:No RT data"},

"MS_METABOLITE_DATA":{
"Units":"normalized intensity",

"Data":[{"Metabolite":"zymosterol","PC3_CENPF_KO_004":"18882.64","PC3_CENPF_KO_005":"18013.47","PC3_CENPF_KO_006":"20625.57","PC3_001":"17044.24","PC3_002":"14412.7","PC3_003":"14579.52"},{"Metabolite":"xylulose 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acid","PC3_CENPF_KO_004":"19050.49","PC3_CENPF_KO_005":"15973.74","PC3_CENPF_KO_006":"18906.44","PC3_001":"64120.79","PC3_002":"65083.37","PC3_003":"83640.94"},{"Metabolite":"tyrosine","PC3_CENPF_KO_004":"1444228.58","PC3_CENPF_KO_005":"935062.32","PC3_CENPF_KO_006":"951907.37","PC3_001":"1927244.71","PC3_002":"1614401.19","PC3_003":"1771575.49"},{"Metabolite":"tryptophan","PC3_CENPF_KO_004":"445252.26","PC3_CENPF_KO_005":"199644.86","PC3_CENPF_KO_006":"240281.47","PC3_001":"431077.08","PC3_002":"378642.69","PC3_003":"259623.14"},{"Metabolite":"tocopherol alpha-","PC3_CENPF_KO_004":"7855.18","PC3_CENPF_KO_005":"9914.22","PC3_CENPF_KO_006":"11243.6","PC3_001":"16589.84","PC3_002":"13038.03","PC3_003":"7722.94"},{"Metabolite":"threonine","PC3_CENPF_KO_004":"389957.96","PC3_CENPF_KO_005":"191018.53","PC3_CENPF_KO_006":"255598.17","PC3_001":"596929.79","PC3_002":"535648.07","PC3_003":"659299.11"},{"Metabolite":"threitol","PC3_CENPF_KO_004":"4963.3","PC3_CENPF_KO_005":"4120.23","PC3_CENPF_KO_006":"3745.21","PC3_001":"4500.43","PC3_002":"3373.64","PC3_003":"4021.56"},{"Metabolite":"taurine","PC3_CENPF_KO_004":"6625.96","PC3_CENPF_KO_005":"6208.69","PC3_CENPF_KO_006":"6983.15","PC3_001":"2507.34","PC3_002":"7649.15","PC3_003":"6460.07"},{"Metabolite":"succinic acid","PC3_CENPF_KO_004":"21326.28","PC3_CENPF_KO_005":"20051.21","PC3_CENPF_KO_006":"24337.89","PC3_001":"19528.25","PC3_002":"16018.18","PC3_003":"19485.29"},{"Metabolite":"stearic acid","PC3_CENPF_KO_004":"1175689.23","PC3_CENPF_KO_005":"1089761.53","PC3_CENPF_KO_006":"1346158.06","PC3_001":"2019068.99","PC3_002":"1497280.6","PC3_003":"1326184.37"},{"Metabolite":"spermine major","PC3_CENPF_KO_004":"64712.43","PC3_CENPF_KO_005":"16205.46","PC3_CENPF_KO_006":"15481.13","PC3_001":"25245.84","PC3_002":"3988.78","PC3_003":"30170.13"},{"Metabolite":"spermidine","PC3_CENPF_KO_004":"163093.72","PC3_CENPF_KO_005":"24811.9","PC3_CENPF_KO_006":"33693.94","PC3_001":"50988.69","PC3_002":"43162.85","PC3_003":"16919.9"},{"Metabolite":"sorbitol","PC3_CENPF_KO_004":"27566.19","PC3_CENPF_KO_005":"16703.7","PC3_CENPF_KO_006":"7126.66","PC3_001":"44862.34","PC3_002":"37510.64","PC3_003":"13608.08"},{"Metabolite":"sophorose","PC3_CENPF_KO_004":"1149.25","PC3_CENPF_KO_005":"883.12","PC3_CENPF_KO_006":"624.87","PC3_001":"1127.9","PC3_002":"862.22","PC3_003":"312.25"},{"Metabolite":"serine","PC3_CENPF_KO_004":"76465.58","PC3_CENPF_KO_005":"45922.26","PC3_CENPF_KO_006":"63732.36","PC3_001":"108789.4","PC3_002":"81033.43","PC3_003":"119947"},{"Metabolite":"ribulose-5-phosphate","PC3_CENPF_KO_004":"8643.07","PC3_CENPF_KO_005":"8428.43","PC3_CENPF_KO_006":"8562.76","PC3_001":"3442.52","PC3_002":"3139.78","PC3_003":"3732.11"},{"Metabolite":"ribose-5-phosphate","PC3_CENPF_KO_004":"20535.43","PC3_CENPF_KO_005":"19715.06","PC3_CENPF_KO_006":"19798.39","PC3_001":"13416.1","PC3_002":"10871.29","PC3_003":"12420.55"},{"Metabolite":"ribose","PC3_CENPF_KO_004":"4771.76","PC3_CENPF_KO_005":"6607.49","PC3_CENPF_KO_006":"7496.4","PC3_001":"5431.56","PC3_002":"4493.1","PC3_003":"557.09"},{"Metabolite":"ribitol","PC3_CENPF_KO_004":"17570.49","PC3_CENPF_KO_005":"4752.74","PC3_CENPF_KO_006":"19680.79","PC3_001":"36397.02","PC3_002":"33563.54","PC3_003":"34242.25"},{"Metabolite":"pyruvic acid","PC3_CENPF_KO_004":"34255.34","PC3_CENPF_KO_005":"34396.94","PC3_CENPF_KO_006":"38730.74","PC3_001":"14502.41","PC3_002":"10122.95","PC3_003":"8040.15"},{"Metabolite":"pyrophosphate","PC3_CENPF_KO_004":"1477029.58","PC3_CENPF_KO_005":"1398648.77","PC3_CENPF_KO_006":"1485793.23","PC3_001":"494981.82","PC3_002":"574097.18","PC3_003":"360511.1"},{"Metabolite":"pyridoxal-5-phosphate","PC3_CENPF_KO_004":"5963.46","PC3_CENPF_KO_005":"5668.68","PC3_CENPF_KO_006":"6329.39","PC3_001":"2076.27","PC3_002":"1280.11","PC3_003":"1772.38"},{"Metabolite":"putrescine","PC3_CENPF_KO_004":"858071.8","PC3_CENPF_KO_005":"383213.55","PC3_CENPF_KO_006":"426330.14","PC3_001":"334206.68","PC3_002":"266799.13","PC3_003":"362087.21"},{"Metabolite":"proline","PC3_CENPF_KO_004":"116168","PC3_CENPF_KO_005":"74531.18","PC3_CENPF_KO_006":"96493.49","PC3_001":"201761.85","PC3_002":"243991.99","PC3_003":"313551.91"},{"Metabolite":"p-hydroxylphenyllactic 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acid","PC3_CENPF_KO_004":"23365.11","PC3_CENPF_KO_005":"23058.59","PC3_CENPF_KO_006":"13966.31","PC3_001":"17655.86","PC3_002":"23383.65","PC3_003":"14060.1"},{"Metabolite":"pelargonic acid","PC3_CENPF_KO_004":"13342.75","PC3_CENPF_KO_005":"9400.06","PC3_CENPF_KO_006":"12299","PC3_001":"16918.47","PC3_002":"16592.65","PC3_003":"12960.79"},{"Metabolite":"pantothenic acid","PC3_CENPF_KO_004":"67871.88","PC3_CENPF_KO_005":"55219.88","PC3_CENPF_KO_006":"58647.73","PC3_001":"56708.31","PC3_002":"50215.16","PC3_003":"53530.28"},{"Metabolite":"palmitoleic acid","PC3_CENPF_KO_004":"1796.94","PC3_CENPF_KO_005":"3646.85","PC3_CENPF_KO_006":"4320.25","PC3_001":"7021.98","PC3_002":"5362.44","PC3_003":"8759.81"},{"Metabolite":"palmitic 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}

}