{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001170","ANALYSIS_ID":"AN001935","VERSION":"1","CREATED_ON":"April 17, 2019, 8:55 am"},

"PROJECT":{"PROJECT_TITLE":"Carbohydrates, amino acid and nucleotide studies","PROJECT_SUMMARY":"Comparision of carbohydrates,amino acid and nucleotide between MCF-7 cells treated with different concentration of doxorubicin","INSTITUTE":"China Pharmaceutical University","LAST_NAME":"Shao","FIRST_NAME":"Chang","ADDRESS":"Tongjiaxiang #24, Nanjing, Jiangsu, 210000, China","EMAIL":"cici_shao@126.com","PHONE":"13951628679"},

"STUDY":{"STUDY_TITLE":"Timecourse on MCF-7 cells treated with different concentration of doxorubicin","STUDY_SUMMARY":"MCF-7 cells treated with 10μM doxorubicin for 4h followed by subsequent withdrawl of the drug and cultured up to 48h.Doxurubicin-treated cells and control cells were collected at 0,12,24,36,and 48h. Meanwhile,MCF-7 cells continuously exposed to a low dosage of doxorubicin at 0.1μM for 96h. Doxorubicin-treated cells and control cells were collected at 0,24,48,72 and 96h.","INSTITUTE":"China Pharmaceutical University","LAST_NAME":"Shao","FIRST_NAME":"Chang","ADDRESS":"Tongjiaxiang #24, Nanjing, Jiangsu, 210000, China","EMAIL":"cici_shao@126.com","PHONE":"13951628679"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Not applicable"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"0.1_NC_0h_1",
"Factors":{"hours":"-","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_0h_2",
"Factors":{"hours":"-","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_0h_3",
"Factors":{"hours":"-","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_0h_4",
"Factors":{"hours":"-","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_0h_5",
"Factors":{"hours":"-","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_24h_1",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_24h_2",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_24h_3",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_24h_4",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_24h_5",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_48h_1",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_48h_2",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_48h_3",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_48h_4",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_48h_5",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_72h_1",
"Factors":{"hours":"72","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_72h_2",
"Factors":{"hours":"72","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_72h_3",
"Factors":{"hours":"72","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_72h_4",
"Factors":{"hours":"72","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_72h_5",
"Factors":{"hours":"72","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_96h_1",
"Factors":{"hours":"96","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_96h_2",
"Factors":{"hours":"96","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_96h_3",
"Factors":{"hours":"96","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_96h_4",
"Factors":{"hours":"96","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_NC_96h_5",
"Factors":{"hours":"96","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_24h_1",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_24h_2",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_24h_3",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_24h_4",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_24h_5",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_48h_1",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_48h_2",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_48h_3",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_48h_4",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_48h_5",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_72h_1",
"Factors":{"hours":"72","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_72h_2",
"Factors":{"hours":"72","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_72h_3",
"Factors":{"hours":"72","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_72h_4",
"Factors":{"hours":"72","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_72h_5",
"Factors":{"hours":"72","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_96h_1",
"Factors":{"hours":"96","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_96h_2",
"Factors":{"hours":"96","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_96h_3",
"Factors":{"hours":"96","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_96h_4",
"Factors":{"hours":"96","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"0.1_96h_5",
"Factors":{"hours":"96","Doxorubicin dosage(μM)":"0.1"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_0h_1",
"Factors":{"hours":"-","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_0h_2",
"Factors":{"hours":"-","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_0h_3",
"Factors":{"hours":"-","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_0h_4",
"Factors":{"hours":"-","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_0h_5",
"Factors":{"hours":"-","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_12h_1",
"Factors":{"hours":"12","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_12h_2",
"Factors":{"hours":"12","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_12h_3",
"Factors":{"hours":"12","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_12h_4",
"Factors":{"hours":"12","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_12h_5",
"Factors":{"hours":"12","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_24h_1",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_24h_2",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_24h_3",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_24h_4",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_24h_5",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_36h_1",
"Factors":{"hours":"36","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_36h_2",
"Factors":{"hours":"36","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_36h_3",
"Factors":{"hours":"36","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_36h_4",
"Factors":{"hours":"36","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_36h_5",
"Factors":{"hours":"36","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_48h_1",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_48h_2",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_48h_3",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_48h_4",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_NC_48h_5",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10_12h_1",
"Factors":{"hours":"12","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_12h_2",
"Factors":{"hours":"12","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_12h_3",
"Factors":{"hours":"12","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_12h_4",
"Factors":{"hours":"12","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_12h_5",
"Factors":{"hours":"12","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_24h_1",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_24h_2",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_24h_3",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_24h_4",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_24h_5",
"Factors":{"hours":"24","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_36h_1",
"Factors":{"hours":"36","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_36h_2",
"Factors":{"hours":"36","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_36h_3",
"Factors":{"hours":"36","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_36h_4",
"Factors":{"hours":"36","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_36h_5",
"Factors":{"hours":"36","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_48h_1",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_48h_2",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_48h_3",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_48h_4",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"10_48h_5",
"Factors":{"hours":"48","Doxorubicin dosage(μM)":"10"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cells were washed with cold PBS twice and then permeabilized with cold 80% methanol followed by a 20-minute incubation at -80℃. The cell lysates were centrifuges at 14000g for 5 mins and the supernatant were collected and evaporated to dryness.","SAMPLE_TYPE":"Cultured cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"MCF-7 cells were exposed to 10 μM doxorubicin for 4 hr followed by subsequent withdrawal of the drug. Meanwhile, MCF-7 cells continuously exposed to a low dosage of doxorubicin at 0.1 μM for 96 hr. Doxorubicin-treated cells and control cells were collected at different time."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"MCF-7 cells were harvested and permeabilized with cold (80% (v/v) methanol: water solution followed by a 20-min incubation at -80 ℃. A stock solution of 4-Chloro-DL-phenylalanine was pre-spiked into the methanol aqueous buffer to a final concentration of 1.5 μg/mL, which subsequently served as an internal standard (IS). The cell lysates were centrifuged at 14,000g for 5 min at 4 ℃, and the resultant supernatant were collected and evaporated to dryness. The samples were reconstituted in 100 μL of water (LC-MS grade) before analysis on an HPLC−MS/MS, and 20 μL was used for analysis. For each group of samples subjected to metabolomics analysis, five biological replicates were prepared."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"The mobile phase consisted of solvent A (5 mM ammonium acetate, pH=9, and 5% acetonitrile) and solvent B (acetonitrile). The gradient was set as follows: 0–3 min, 85% B; 3–6 min, 85–30% B; 6–15 min, 30–2% B; 15–18 min, 2% B; 18–19 min, 2–85% B; 19–26 min, 85% B. The flow rate was set at 0.4 mL/min.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Shimadzu LC-30A","COLUMN_NAME":"Waters XBridge Amide (100 x 4.6mm, 3.5um)"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 5600 TripleTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"The MS data was acquired in the negative ion mode using a data-dependent acquisition approach. The electrospray ionization (ESI) source conditions were used as follows: TOF MS scan, m/z 50 – 1000 Da; Product ion scan, m/z 50 – 900 Da; Ion Source Gas 1 (Gas 1), 50 psi; Ion Source Gas 2 (Gas 2), 30 psi; Curtain gas, 30 psi; Source temperature, 500 ℃; Ion Spray Voltage Floating, -4500 V; Declustering potential (DP), -100V; Collision energy (CE), -35 V; CE spread, 10 V. MS data acquisition was controlled by Analyst TF 1.6.1 (AB SCIEX, Framingham, MA, USA). The accurate mass was calibrated by Calibration Delivery System."},

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

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ID":"C05378"},{"Metabolite":"Glyceraldehyde-3-phosphate","quantified m/z":"168.9912","PubChem ID":"729","KEGG ID":"C00118"},{"Metabolite":"3-Phosphoglyceric acid","quantified m/z":"184.9839","PubChem ID":"439183","KEGG ID":"C00197"},{"Metabolite":"Pyruvic acid","quantified m/z":"87.0088","PubChem ID":"1060","KEGG ID":"C00022"},{"Metabolite":"Lactic acid","quantified m/z":"89.0236","PubChem ID":"612","KEGG ID":"C00186"},{"Metabolite":"Acetyl-CoA","quantified m/z":"808.1179","PubChem ID":"444493","KEGG ID":"C00024  "},{"Metabolite":"Oxaloacetate","quantified m/z":"130.9989","PubChem ID":"970","KEGG ID":"C00036"},{"Metabolite":"Citrate","quantified m/z":"191.0198","PubChem ID":"311","KEGG ID":"C00158"},{"Metabolite":"Aconitate","quantified m/z":"173.0090","PubChem ID":"444212","KEGG ID":"C00417 "},{"Metabolite":"α-Ketoglutarate","quantified m/z":"145.0142","PubChem ID":"51","KEGG ID":"C00026  "},{"Metabolite":"Succinate","quantified m/z":"117.0192","PubChem ID":"160419","KEGG ID":"C00042  "},{"Metabolite":"Fumarate","quantified m/z":"115.0035","PubChem ID":"5460307","KEGG ID":"C00122"},{"Metabolite":"Malate","quantified m/z":"133.0141","PubChem ID":"525","KEGG ID":"C00149"}]
}

}