{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000367","ANALYSIS_ID":"AN000600","VERSION":"1","CREATED_ON":"March 21, 2016, 2:00 pm"},

"PROJECT":{"PROJECT_TITLE":"Systems Biochemistry in Lung Cancer: toward a mechanistic understanding of NSCLC","PROJECT_SUMMARY":"The program comprises three project areas utilizing stable isotope resolved metabolomics to gain a mechanistic understanding of NSCLC in situ. The projects combine cell culture, animal models and human subjects to define the influence of the tumor microenvironment on cancer progression.","INSTITUTE":"University of Kentucky","LAST_NAME":"Lane","FIRST_NAME":"Andrew","ADDRESS":"Rm 516 Biopharm Complex, 789 S. Limestone St.,Univ. of Kentucky, Lexington, KY 40536","EMAIL":"andrewnlane@gmail.com","PHONE":"000-000-0000"},

"STUDY":{"STUDY_TITLE":"Distinctly perturbed metabolic networks underlie differential tumor tissue damages induced by immune modulator b-glucan in a two-case ex vivo non-small cell lung cancer study","STUDY_TYPE":"tracer","STUDY_SUMMARY":"[U-13C]-Glu SIRM study of ex vivo tissue slices in matched-pair tumor/non-tumor ex vivo tissue slices from two human patients with and withou beta-glucan.","INSTITUTE":"University of Kentucky","DEPARTMENT":"CESB","LAST_NAME":"Fan","FIRST_NAME":"Teresa","ADDRESS":"Rm 516 Biopharm Complex, 789 S. Limestone St.,Univ. of Kentucky, Lexington, KY 40536","EMAIL":"twmfan@gmail.com","PHONE":"-"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","SUBJECT_COMMENTS":"tissue_slice"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"13_UK21",
"Factors":{"Treatment":"13C6Glc","Tissue type":"nontumor"},
"Additional sample data":{"expected_reconstitution_volume (ul)":"31.2","reconstitution_volume (ul)":"31.2","polar weight (g)":"0.1903","protein_extract dry weight (g)":"0.00343","cell wet weight(g)":"0.0156","Protocol":"homogenization_quench_precellys","lineage_1":"UK21","lineage_2":"UK21-nontumor","lineage_3":"13_UK21_N_13C6Glc_slice","lineage_4":"13_UK21_N_13C6Glc_slice-cells","lineage_5":"13_UK21_N_13C6Glc_slice-cells-polar-IC-FTMS_A"}
},
{
"Subject ID":"-",
"Sample ID":"31_UK49",
"Factors":{"Treatment":"13C6Glc","Tissue type":"nontumor"},
"Additional sample data":{"expected_reconstitution_volume (ul)":"38.3","reconstitution_volume (ul)":"50.0","polar weight (g)":"0.1911","protein_extract dry weight (g)":"0.00334","cell wet weight(g)":"0.0206","Protocol":"homogenization_quench_retsch","lineage_1":"UK49","lineage_2":"UK49-nontumor","lineage_3":"31_UK49_N_13C6Glc_slice","lineage_4":"31_UK49_N_13C6Glc_slice-cells","lineage_5":"31_UK49_N_13C6Glc_slice-cells-polar-IC-FTMS_A"}
},
{
"Subject ID":"-",
"Sample ID":"32_UK49",
"Factors":{"Treatment":"13C6Glc","Tissue type":"nontumor"},
"Additional sample data":{"expected_reconstitution_volume (ul)":"40.3","reconstitution_volume (ul)":"50.0","polar weight (g)":"0.1914","protein_extract dry weight (g)":"0.00348","cell wet weight(g)":"0.0217","Protocol":"homogenization_quench_retsch","lineage_1":"UK49","lineage_2":"UK49-nontumor","lineage_3":"32_UK49_N_13C6Glc_slice","lineage_4":"32_UK49_N_13C6Glc_slice-cells","lineage_5":"32_UK49_N_13C6Glc_slice-cells-polar-IC-FTMS_A"}
},
{
"Subject ID":"-",
"Sample ID":"01_UK49",
"Factors":{"Treatment":"13C6Glc","Tissue type":"tumor"},
"Additional sample data":{"expected_reconstitution_volume (ul)":"25.5","reconstitution_volume (ul)":"55.0","polar weight (g)":"0.1944","protein_extract dry weight (g)":"0.00178","cell wet weight(g)":"0.0137","Protocol":"homogenization_quench_retsch","lineage_1":"UK49","lineage_2":"UK49-tumor","lineage_3":"01_UK49_N_13C6Glc_slice","lineage_4":"01_UK49_N_13C6Glc_slice-cells","lineage_5":"01_UK49_N_13C6Glc_slice-cells-polar-IC-FTMS_A"}
},
{
"Subject ID":"-",
"Sample ID":"02_UK49",
"Factors":{"Treatment":"13C6Glc","Tissue type":"tumor"},
"Additional sample data":{"expected_reconstitution_volume (ul)":"22.1","reconstitution_volume (ul)":"50.0","polar weight (g)":"0.1938","protein_extract dry weight (g)":"0.00183","cell wet weight(g)":"0.0119","Protocol":"homogenization_quench_retsch","lineage_1":"UK49","lineage_2":"UK49-tumor","lineage_3":"02_UK49_N_13C6Glc_slice","lineage_4":"02_UK49_N_13C6Glc_slice-cells","lineage_5":"02_UK49_N_13C6Glc_slice-cells-polar-IC-FTMS_A"}
},
{
"Subject ID":"-",
"Sample ID":"05_UK21",
"Factors":{"Treatment":"13C6Glc","Tissue type":"tumor"},
"Additional sample data":{"expected_reconstitution_volume (ul)":"41.4","reconstitution_volume (ul)":"41.4","polar weight (g)":"0.1909","protein_extract dry weight (g)":"0.00234","cell wet weight(g)":"0.0207","Protocol":"homogenization_quench_precellys","lineage_1":"UK21","lineage_2":"UK21-tumor","lineage_3":"05_UK21_N_13C6Glc_slice","lineage_4":"05_UK21_N_13C6Glc_slice-cells","lineage_5":"05_UK21_N_13C6Glc_slice-cells-polar-IC-FTMS_A"}
},
{
"Subject ID":"-",
"Sample ID":"15_UK21",
"Factors":{"Treatment":"13C6Glc_100ug/ml b-glucan","Tissue type":"nontumor"},
"Additional sample data":{"expected_reconstitution_volume (ul)":"40.6","reconstitution_volume (ul)":"40.6","polar weight (g)":"0.1939","protein_extract dry weight (g)":"0.0035","cell wet weight(g)":"0.0203","Protocol":"homogenization_quench_precellys","lineage_1":"UK21","lineage_2":"UK21-nontumor","lineage_3":"15_UK21_N_13C6Glc_100ug/ml b-glucan_slice","lineage_4":"15_UK21_N_13C6Glc_100ug/ml b-glucan_slice-cells","lineage_5":"15_UK21_N_13C6Glc_100ug/ml b-glucan_slice-cells-polar-IC-FTMS_A"}
},
{
"Subject ID":"-",
"Sample ID":"33_UK49",
"Factors":{"Treatment":"13C6Glc_100ug/ml b-glucan","Tissue type":"nontumor"},
"Additional sample data":{"expected_reconstitution_volume (ul)":"43.3","reconstitution_volume (ul)":"46.6","polar weight (g)":"0.1896","protein_extract dry weight (g)":"0.00369","cell wet weight(g)":"0.0233","Protocol":"homogenization_quench_retsch","lineage_1":"UK49","lineage_2":"UK49-nontumor","lineage_3":"33_UK49_N_13C6Glc_100ug/ml b-glucan_slice","lineage_4":"33_UK49_N_13C6Glc_100ug/ml b-glucan_slice-cells","lineage_5":"33_UK49_N_13C6Glc_100ug/ml b-glucan_slice-cells-polar-IC-FTMS_A"}
},
{
"Subject ID":"-",
"Sample ID":"34_UK49",
"Factors":{"Treatment":"13C6Glc_100ug/ml b-glucan","Tissue type":"nontumor"},
"Additional sample data":{"expected_reconstitution_volume (ul)":"46.8","reconstitution_volume (ul)":"50.4","polar weight (g)":"0.1899","protein_extract dry weight (g)":"0.00435","cell wet weight(g)":"0.0252","Protocol":"homogenization_quench_retsch","lineage_1":"UK49","lineage_2":"UK49-nontumor","lineage_3":"34_UK49_N_13C6Glc_100ug/ml b-glucan_slice","lineage_4":"34_UK49_N_13C6Glc_100ug/ml b-glucan_slice-cells","lineage_5":"34_UK49_N_13C6Glc_100ug/ml b-glucan_slice-cells-polar-IC-FTMS_A"}
},
{
"Subject ID":"-",
"Sample ID":"03_UK49",
"Factors":{"Treatment":"13C6Glc_100ug/ml b-glucan","Tissue type":"tumor"},
"Additional sample data":{"expected_reconstitution_volume (ul)":"50.0","reconstitution_volume (ul)":"50.0","polar weight (g)":"0.1914","protein_extract dry weight (g)":"0.00344","cell wet weight(g)":"0.0269","Protocol":"homogenization_quench_retsch","lineage_1":"UK49","lineage_2":"UK49-tumor","lineage_3":"03_UK49_N_13C6Glc_100ug/ml b-glucan_slice","lineage_4":"03_UK49_N_13C6Glc_100ug/ml b-glucan_slice-cells","lineage_5":"03_UK49_N_13C6Glc_100ug/ml b-glucan_slice-cells-polar-IC-FTMS_A"}
},
{
"Subject ID":"-",
"Sample ID":"04_UK49",
"Factors":{"Treatment":"13C6Glc_100ug/ml b-glucan","Tissue type":"tumor"},
"Additional sample data":{"expected_reconstitution_volume (ul)":"48.5","reconstitution_volume (ul)":"50.0","polar weight (g)":"0.1931","protein_extract dry weight (g)":"0.00302","cell wet weight(g)":"0.0261","Protocol":"homogenization_quench_retsch","lineage_1":"UK49","lineage_2":"UK49-tumor","lineage_3":"04_UK49_N_13C6Glc_100ug/ml b-glucan_slice","lineage_4":"04_UK49_N_13C6Glc_100ug/ml b-glucan_slice-cells","lineage_5":"04_UK49_N_13C6Glc_100ug/ml b-glucan_slice-cells-polar-IC-FTMS_A"}
},
{
"Subject ID":"-",
"Sample ID":"07_UK21",
"Factors":{"Treatment":"13C6Glc_100ug/ml b-glucan","Tissue type":"tumor"},
"Additional sample data":{"expected_reconstitution_volume (ul)":"39.6","reconstitution_volume (ul)":"39.6","polar weight (g)":"0.1907","protein_extract dry weight (g)":"0.00166","cell wet weight(g)":"0.0198","Protocol":"homogenization_quench_precellys","lineage_1":"UK21","lineage_2":"UK21-tumor","lineage_3":"07_UK21_N_13C6Glc_100ug/ml b-glucan_slice","lineage_4":"07_UK21_N_13C6Glc_100ug/ml b-glucan_slice-cells","lineage_5":"07_UK21_N_13C6Glc_100ug/ml b-glucan_slice-cells-polar-IC-FTMS_A"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"2 methods were used: Precellys homogenization (Precellys_homogenization_SOP-2015-04-09.pdf, measurements: IC-FTMS1) and Retsch homogenization (protocol: Retsch_homogenization_SOP-2015-09-27.pdf, measurements: IC-FTMS2)","COLLECTION_PROTOCOL_FILENAME":"Precellys_homogenization_SOP-2015-04-09.pdf, Retsch_homogenization_SOP-2015-09-27.pdf","COLLECTION_PROTOCOL_COMMENTS":"Precellys_homogenization_SOP-2015-04-09.pdf (IC-FTMS1), Retsch_homogenization_SOP-2015-09-27.pdf (IC-FTMS2)"},

"TREATMENT":{"TREATMENT_SUMMARY":"none","TREATMENT_PROTOCOL_FILENAME":"SIRM_ex_vivo_tissue_slices_protocol__Bio-protocol_6_e1730__2016.pdf","TREATMENT_PROTOCOL_COMMENTS":"ex vivo tissue slice experiment with isotopic labeling."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Preparation of polar samples for GCMS, NMR, and IC-FTMS; Protein extraction and quantification","SAMPLEPREP_PROTOCOL_FILENAME":"Extract_Polar_Lipid_Prot_Fan.pdf, Extract_Protein_Quant_Fan.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Ion chromatograph","INSTRUMENT_NAME":"Thermo Fusion Tribrid Orbitrap","COLUMN_NAME":"Unspecified"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Fusion Tribrid Orbitrap","INSTRUMENT_TYPE":"FT-ICR-MS","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"IC-FTMS1: Data were adjusted as follows: 1)Get raw XIC peak areas from TF33 -> 2)correct for protein content by adjusting the signals according by wet weight -> 3) correct for NA abundance. Some compounds were assigned using a sperate standard run, others were assigned because they were the only or the highest peak in the extracted ion chromatogram. (XIC)."},

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

"Data":[{"Metabolite":"(S)-Methylmalonic acid semialdehyde-13C0[-H+]-","05_UK21":"87912.82","07_UK21":"135224.30","13_UK21":"69049.71","15_UK21":"66478.87"},{"Metabolite":"(S)-Methylmalonic acid semialdehyde-13C3[-H+]-","05_UK21":"15290.66","07_UK21":"11909.33","13_UK21":"22206.13","15_UK21":"22659.78"},{"Metabolite":"(S)-Methylmalonic acid semialdehyde-13C4[-H+]-","05_UK21":"3817365.03","07_UK21":"2795726.61","13_UK21":"3688604.22","15_UK21":"4030830.65"},{"Metabolite":"13BPG-13C3[-H+]-","05_UK21":"4733.29","07_UK21":"2710.35","13_UK21":"27242.95","15_UK21":"21100.83"},{"Metabolite":"1-Pyrroline-2-carboxylic acid-13C0[-H+]-","05_UK21":"32759.79","07_UK21":"54004.34","13_UK21":"","15_UK21":""},{"Metabolite":"1-Pyrroline-2-carboxylic acid-13C2[-H+]-","05_UK21":"","07_UK21":"4823.15","13_UK21":"","15_UK21":""},{"Metabolite":"1-Pyrroline-2-carboxylic acid-13C3[-H+]-","05_UK21":"622310.82","07_UK21":"1260519.95","13_UK21":"31325.05","15_UK21":"17141.82"},{"Metabolite":"2HG-13C0[-H+]-","05_UK21":"2141618.32","07_UK21":"2303501.93","13_UK21":"1699396.63","15_UK21":"1074764.04"},{"Metabolite":"2HG-13C1[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"","15_UK21":""},{"Metabolite":"2HG-13C2[-H+]-","05_UK21":"141786.88","07_UK21":"198361.91","13_UK21":"39307.19","15_UK21":"13121.62"},{"Metabolite":"2HG-13C3[-H+]-","05_UK21":"23949.57","07_UK21":"43761.08","13_UK21":"6473.02","15_UK21":"5342.80"},{"Metabolite":"2HG-13C4[-H+]-","05_UK21":"27547.65","07_UK21":"38826.79","13_UK21":"","15_UK21":""},{"Metabolite":"2HG-13C5[-H+]-","05_UK21":"9795.58","07_UK21":"11907.05","13_UK21":"","15_UK21":""},{"Metabolite":"3PG-13C0[-H+]-","05_UK21":"13250.50","07_UK21":"12424.17","13_UK21":"","15_UK21":""},{"Metabolite":"3PG-13C3[-H+]-","05_UK21":"818820.63","07_UK21":"810538.46","13_UK21":"420696.39","15_UK21":"247077.40"},{"Metabolite":"ADP-13C0[-H+]-","05_UK21":"5157247.94","07_UK21":"8995964.45","13_UK21":"5351117.56","15_UK21":"1769385.25"},{"Metabolite":"ADP-13C1[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"","15_UK21":""},{"Metabolite":"ADP-13C2[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"30532.36","15_UK21":"16387.57"},{"Metabolite":"ADP-13C3[-H+]-","05_UK21":"48696.31","07_UK21":"94242.79","13_UK21":"45570.31","15_UK21":"19611.33"},{"Metabolite":"ADP-13C4[-H+]-","05_UK21":"61936.30","07_UK21":"106738.09","13_UK21":"115070.46","15_UK21":"40568.13"},{"Metabolite":"ADP-13C5[-H+]-","05_UK21":"3824106.17","07_UK21":"6258774.50","13_UK21":"6352693.26","15_UK21":"2130189.74"},{"Metabolite":"ADP-13C6[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"","15_UK21":""},{"Metabolite":"aKG-13C0[-H+]-","05_UK21":"738276.38","07_UK21":"1051119.25","13_UK21":"609859.08","15_UK21":"655932.37"},{"Metabolite":"aKG-13C1[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"","15_UK21":""},{"Metabolite":"aKG-13C2[-H+]-","05_UK21":"44997.93","07_UK21":"155267.94","13_UK21":"36539.70","15_UK21":"12270.49"},{"Metabolite":"aKG-13C3[-H+]-","05_UK21":"11231.85","07_UK21":"34548.17","13_UK21":"6736.80","15_UK21":""},{"Metabolite":"aKG-13C4[-H+]-","05_UK21":"13652.15","07_UK21":"26542.72","13_UK21":"","15_UK21":""},{"Metabolite":"aKG-13C5[-H+]-","05_UK21":"3409.47","07_UK21":"8889.75","13_UK21":"","15_UK21":""},{"Metabolite":"Aminofructose 6-phosphate-13C0[-H+]-","05_UK21":"135788537.12","07_UK21":"226670628.89","13_UK21":"80724681.51","15_UK21":"68535789.21"},{"Metabolite":"Aminofructose 6-phosphate-13C1[-H+]-","05_UK21":"26910.97","07_UK21":"777490.95","13_UK21":"","15_UK21":""},{"Metabolite":"Aminofructose 6-phosphate-13C2[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"","15_UK21":""},{"Metabolite":"Aminofructose 6-phosphate-13C3[-H+]-","05_UK21":"7288626.56","07_UK21":"12504524.25","13_UK21":"5888767.57","15_UK21":"3668421.69"},{"Metabolite":"Aminofructose 6-phosphate-13C4[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"","15_UK21":""},{"Metabolite":"Aminofructose 6-phosphate-13C6[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"19533.59","15_UK21":"10268.81"},{"Metabolite":"AMP-13C0[-H+]-","05_UK21":"5571930.19","07_UK21":"7688065.99","13_UK21":"7025584.86","15_UK21":"1993842.89"},{"Metabolite":"AMP-13C1[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"","15_UK21":""},{"Metabolite":"AMP-13C2[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"15510.84","15_UK21":""},{"Metabolite":"AMP-13C3[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"42572.45","15_UK21":"10558.34"},{"Metabolite":"AMP-13C4[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"105830.00","15_UK21":"15596.39"},{"Metabolite":"AMP-13C5[-H+]-","05_UK21":"1390196.66","07_UK21":"1955641.64","13_UK21":"6889162.94","15_UK21":"1386765.19"},{"Metabolite":"AMP-13C6[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"","15_UK21":""},{"Metabolite":"ATP-13C0[-H+]-","05_UK21":"3269462.80","07_UK21":"6040730.81","13_UK21":"99656.54","15_UK21":"41451.14"},{"Metabolite":"ATP-13C1[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"","15_UK21":""},{"Metabolite":"ATP-13C2[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"","15_UK21":""},{"Metabolite":"ATP-13C3[-H+]-","05_UK21":"35279.45","07_UK21":"54570.72","13_UK21":"","15_UK21":""},{"Metabolite":"ATP-13C4[-H+]-","05_UK21":"37067.87","07_UK21":"86063.78","13_UK21":"","15_UK21":""},{"Metabolite":"ATP-13C5[-H+]-","05_UK21":"2614127.36","07_UK21":"4669508.39","13_UK21":"143305.32","15_UK21":"51242.04"},{"Metabolite":"ATP-13C6[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"","15_UK21":""},{"Metabolite":"CDP-13C0[-H+]-","05_UK21":"35453.90","07_UK21":"93663.67","13_UK21":"93870.57","15_UK21":"64333.86"},{"Metabolite":"CDP-13C5[-H+]-","05_UK21":"3718.28","07_UK21":"3671.58","13_UK21":"16114.85","15_UK21":""},{"Metabolite":"cis-Aconitate-13C0[-H+]-","05_UK21":"470452.62","07_UK21":"558828.09","13_UK21":"59481.05","15_UK21":"28259.38"},{"Metabolite":"cis-Aconitate-13C1[-H+]-","05_UK21":"","07_UK21":"","13_UK21":"","15_UK21":""},{"Metabolite":"Citrate-13C0[-H+]-","05_UK21":"1975890.31","07_UK21":"2463193.39","13_UK21":"2745065.87","15_UK21":"1855000.34"},{"Metabolite":"Citrate-13C1[-H+]-","05_UK21":"5128.60","07_UK21":"88601.97","13_UK21":"87097.55","15_UK21":""},{"Metabolite":"Citrate-13C2[-H+]-","05_UK21":"991370.23","07_UK21":"1695269.99","13_UK21":"858166.85","15_UK21":"277363.24"},{"Metabolite":"Citrate-13C3[-H+]-","05_UK21":"198984.00","07_UK21":"393167.72","13_UK21":"167060.01","15_UK21":"49880.67"},{"Metabolite":"Citrate-13C4[-H+]-","05_UK21":"264446.71","07_UK21":"571172.96","13_UK21":"109936.32","15_UK21":"16493.32"},{"Metabolite":"Citrate-13C5[-H+]-","05_UK21":"101333.47","07_UK21":"320149.31","13_UK21":"23715.09","15_UK21":"4505.20"},{"Metabolite":"Citrate-13C6[-H+]-","05_UK21":"16293.80","07_UK21":"47942.34","13_UK21":"3786.84","15_UK21":""},{"Metabolite":"CMP 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}

}