{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001191","ANALYSIS_ID":"AN001983","VERSION":"1","CREATED_ON":"03-03-2022"},

"PROJECT":{"PROJECT_TITLE":"Metabonome of ginsenoside","PROJECT_TYPE":"Metabonomics","PROJECT_SUMMARY":"Metabonome profiling analysis reveals the protein-metabolite interaction network of ginsenoside anti-tumor","INSTITUTE":"Nankai University","DEPARTMENT":"State Key Laboratory of Medicinal Chemical Biology","LABORATORY":"Bai group","LAST_NAME":"Zhihua","FIRST_NAME":"Wang","ADDRESS":"38 Tongyan Road","EMAIL":"15822278821@163.com","PHONE":"02285358344","DOI":"http://dx.doi.org/10.21228/M8WD6C"},

"STUDY":{"STUDY_TITLE":"Metabolome of ginsenoside anti-tumor","STUDY_TYPE":"Metabonomics","STUDY_SUMMARY":"Metabonome profiling analysis reveals the protein-metabolite interaction network of ginsenoside anti-tumor","INSTITUTE":"Nankai University","DEPARTMENT":"State Key Laboratory of Medicinal Chemical Biology","LABORATORY":"Bai group","LAST_NAME":"Zhihua","FIRST_NAME":"Wang","ADDRESS":"38 Tongyan Road","EMAIL":"15822278821@163.com","PHONE":"02285358344","SUBMIT_DATE":"2019-06-09"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"NEG C-1",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"NEG C-2",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"NEG C-3",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"NEG C-4",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"NEG C-5",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"NEG C-6",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"NEG QC-1",
"Factors":{"Treatment":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"NEG QC-2",
"Factors":{"Treatment":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"NEG QC-3",
"Factors":{"Treatment":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"NEG S-1",
"Factors":{"Treatment":"Sample"}
},
{
"Subject ID":"-",
"Sample ID":"NEG S-2",
"Factors":{"Treatment":"Sample"}
},
{
"Subject ID":"-",
"Sample ID":"NEG S-3",
"Factors":{"Treatment":"Sample"}
},
{
"Subject ID":"-",
"Sample ID":"NEG S-4",
"Factors":{"Treatment":"Sample"}
},
{
"Subject ID":"-",
"Sample ID":"NEG S-5",
"Factors":{"Treatment":"Sample"}
},
{
"Subject ID":"-",
"Sample ID":"NEG S-6",
"Factors":{"Treatment":"Sample"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Total metabolites was extracted from the per group cell (~1x10e7) using 1 ml of methanolic acetonitrile aqueous solution (2:2:1, v/v), vortex for 60 s, hypothermia for 30 min, 2 times, place the protein for 1 h at -20 ° C, centrifuge at 14000 rcf for 20 min at 4 ° C, and freeze the supernatant. -80 ° C to save the sample","SAMPLE_TYPE":"Tumor cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"After cells growth in 37°C for 12 h, 0.25mg/mL ginsenosides was fed of each well and continue cultured with for 12h"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Total metabolites was extracted from the per group cell (~1x10e7) using 1 ml of methanolic acetonitrile aqueous solution (2:2:1, v/v), vortex for 60 s, hypothermia for 30 min, 2 times, place the protein for 1 h at -20 ° C, centrifuge at 14000 rcf for 20 min at 4 ° C, and freeze the supernatant. -80 ° C to save the sample"},

"CHROMATOGRAPHY":{"INSTRUMENT_NAME":"Agilent 1290","COLUMN_TEMPERATURE":"25 ° C","FLOW_RATE":"0.3 mL/min","SOLVENT_A":"water + 25 mM ammonium acetate + 25 mM ammonia","SOLVENT_B":"Acetonitrile","CHROMATOGRAPHY_TYPE":"HILIC"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 5600 TripleTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","MS_COMMENTS":"The ESI source conditions after HILIC chromatographic separation are as follows: Ion Source Gas1 (Gas1): 60, Ion Source Gas 2 (Gas 2): 60, Curtain gas (CUR): 30, source temperature: 600 ° C, Ion Sapary Voltage Floating (ISVF) ± 5500 V (Positive and negative modes); TOF MS scan m/z range: 60-1000 Da, product ion scan m/z range: 25-1000 Da, TOF MS scan accumulation time 0.20 s/spectra, product ion scan accumulation time 0.05 s/spectra; secondary mass spectrometry is obtained using information dependent acquisition (IDA), and uses high sensitivity mode, Declustering potential (DP): ±60 V (both positive and negative modes), Collision Energy: 35±15 eV, IDA settings are as follows Exclude isotopes within 4 Da, Candidate ions to monitor per cycle: 6","ION_MODE":"NEGATIVE"},

"MS_METABOLITE_DATA":{
"Units":"Peak intensity",

"Data":[{"Metabolite":"12_13-EODE","NEG C-1":"3579.1998","NEG C-2":"2709.8476","NEG C-3":"3231.0000","NEG C-4":"2701.9149","NEG C-5":"2897.8380","NEG C-6":"2975.3081","NEG QC-1":"4129.3405","NEG QC-2":"4872.4032","NEG QC-3":"3857.4800","NEG S-1":"4053.6363","NEG S-2":"3003.2965","NEG S-3":"3246.5860","NEG S-4":"3829.6489","NEG S-5":"3332.6499","NEG S-6":"5702.5434"},{"Metabolite":"1H-Isoindole-1_3(2H)-dione","NEG C-1":"2684.8459","NEG C-2":"3104.3230","NEG C-3":"2069.4242","NEG C-4":"3022.8000","NEG C-5":"737.7480","NEG C-6":"2851.3801","NEG QC-1":"2677.6987","NEG QC-2":"3350.4929","NEG QC-3":"2467.3724","NEG S-1":"2025.7803","NEG S-2":"1699.6874","NEG S-3":"5082.0517","NEG S-4":"1672.6360","NEG S-5":"1246.3754","NEG S-6":"4553.4380"},{"Metabolite":"1-Palmitoyl-2-oleoyl-phosphatidylglycerol","NEG C-1":"18533.8362","NEG C-2":"21143.4062","NEG C-3":"15972.8786","NEG C-4":"16780.3327","NEG C-5":"19774.0030","NEG C-6":"14556.7548","NEG QC-1":"13217.0699","NEG QC-2":"14050.1064","NEG QC-3":"13071.9245","NEG S-1":"14500.9595","NEG S-2":"6540.4600","NEG S-3":"14136.0601","NEG S-4":"18785.4389","NEG S-5":"8692.0874","NEG S-6":"15780.3913"},{"Metabolite":"2^-Deoxyinosine","NEG C-1":"2298.7686","NEG C-2":"1667.6238","NEG C-3":"1599.9392","NEG C-4":"1285.6582","NEG C-5":"1659.8917","NEG C-6":"1690.8093","NEG QC-1":"3313.8504","NEG QC-2":"3629.8855","NEG QC-3":"3038.3301","NEG S-1":"2680.7400","NEG S-2":"2580.4443","NEG S-3":"2378.4625","NEG S-4":"3940.8538","NEG S-5":"2368.7001","NEG S-6":"3550.6882"},{"Metabolite":"2-Deoxyuridine","NEG C-1":"6159.0132","NEG C-2":"5621.2247","NEG C-3":"4102.8337","NEG C-4":"5602.6549","NEG C-5":"4646.2768","NEG C-6":"3558.4984","NEG QC-1":"6732.1554","NEG QC-2":"7603.7957","NEG QC-3":"7541.6118","NEG S-1":"8162.1188","NEG S-2":"6369.9685","NEG S-3":"6816.1347","NEG S-4":"7838.9488","NEG S-5":"4081.3239","NEG S-6":"7551.5366"},{"Metabolite":"2E-Eicosenoic acid","NEG C-1":"120358.8978","NEG C-2":"128783.0436","NEG C-3":"128645.2444","NEG C-4":"111813.3581","NEG C-5":"129281.2452","NEG C-6":"119583.6070","NEG QC-1":"74438.6359","NEG QC-2":"53690.6205","NEG QC-3":"48553.1430","NEG S-1":"87664.3351","NEG S-2":"84686.3331","NEG S-3":"95270.0623","NEG S-4":"91479.9775","NEG S-5":"88614.7546","NEG S-6":"76992.9501"},{"Metabolite":"2-OXOADIPATE","NEG C-1":"2011.1474","NEG C-2":"1296.5943","NEG C-3":"2513.3889","NEG C-4":"2455.8462","NEG C-5":"4690.5311","NEG C-6":"2080.3203","NEG QC-1":"2105.4579","NEG QC-2":"2699.9647","NEG QC-3":"1443.1481","NEG S-1":"1160.3911","NEG S-2":"1928.4668","NEG S-3":"1549.4158","NEG S-4":"1002.6609","NEG S-5":"730.2242","NEG S-6":"1597.1947"},{"Metabolite":"2-Oxoadipic acid","NEG C-1":"1889124.0830","NEG C-2":"1854558.7200","NEG C-3":"1959417.8190","NEG C-4":"1745376.9120","NEG C-5":"1962569.9820","NEG C-6":"1758672.3370","NEG QC-1":"2534566.6500","NEG QC-2":"2462355.5020","NEG QC-3":"2485020.7110","NEG S-1":"2001074.5160","NEG S-2":"1899182.6810","NEG S-3":"2197779.5360","NEG S-4":"1956009.6670","NEG S-5":"1885163.6150","NEG S-6":"2382519.0040"},{"Metabolite":"3-Chlorotyrosine","NEG C-1":"464.4811","NEG C-2":"889.5880","NEG C-3":"671.2053","NEG C-4":"522.8532","NEG C-5":"775.8799","NEG C-6":"909.4903","NEG QC-1":"1371.6794","NEG QC-2":"1185.1705","NEG QC-3":"854.1306","NEG S-1":"454.3014","NEG S-2":"879.9364","NEG S-3":"595.9368","NEG S-4":"678.1627","NEG S-5":"558.3940","NEG S-6":"1389.6267"},{"Metabolite":"3-Methyluridine","NEG C-1":"21177.6692","NEG C-2":"22728.6462","NEG C-3":"15768.5610","NEG C-4":"17593.8585","NEG C-5":"15440.2448","NEG C-6":"16235.2442","NEG QC-1":"12745.5787","NEG QC-2":"15103.7783","NEG QC-3":"15877.2590","NEG S-1":"1011.6656","NEG S-2":"1964.5698","NEG S-3":"1722.2060","NEG S-4":"2282.0675","NEG S-5":"1686.7341","NEG S-6":"2197.6756"},{"Metabolite":"4-Hydroxyglucobrassicin","NEG C-1":"4308.7767","NEG C-2":"2824.2605","NEG C-3":"4565.1710","NEG C-4":"3231.5943","NEG C-5":"5894.0622","NEG C-6":"2618.5466","NEG QC-1":"2569.5717","NEG QC-2":"2249.6919","NEG QC-3":"2853.9726","NEG S-1":"3290.2247","NEG S-2":"3240.0160","NEG S-3":"3946.3243","NEG S-4":"3512.7193","NEG S-5":"3050.2184","NEG S-6":"2802.8628"},{"Metabolite":"Adenine","NEG C-1":"45409.5908","NEG C-2":"36543.2102","NEG C-3":"42535.9354","NEG C-4":"37689.4170","NEG C-5":"40350.4243","NEG C-6":"36081.1453","NEG QC-1":"46825.9905","NEG QC-2":"49539.7168","NEG QC-3":"48430.6580","NEG S-1":"31311.1816","NEG S-2":"27695.0580","NEG S-3":"26330.0366","NEG S-4":"27737.5516","NEG S-5":"27145.8877","NEG S-6":"35273.0721"},{"Metabolite":"Adenosine monophosphate (AMP)","NEG C-1":"55985.2674","NEG C-2":"43323.7745","NEG C-3":"44140.8745","NEG C-4":"41096.6972","NEG C-5":"42914.6545","NEG C-6":"44788.7157","NEG QC-1":"39917.7824","NEG QC-2":"48774.6530","NEG QC-3":"44876.3989","NEG S-1":"54925.6648","NEG S-2":"42935.0236","NEG S-3":"54737.1003","NEG S-4":"54752.3942","NEG S-5":"51714.7753","NEG S-6":"58152.4591"},{"Metabolite":"Baicalin","NEG C-1":"299.8710","NEG C-2":"1197.4860","NEG C-3":"902.0803","NEG C-4":"691.3972","NEG C-5":"423.8889","NEG C-6":"977.3467","NEG QC-1":"1823.4315","NEG QC-2":"1567.8720","NEG QC-3":"1367.4954","NEG S-1":"1023.5675","NEG S-2":"592.2446","NEG S-3":"1014.0553","NEG S-4":"547.1632","NEG S-5":"609.4737","NEG S-6":"1933.7000"},{"Metabolite":"Beta-D-Fructose 6-phosphate","NEG C-1":"10607.1125","NEG C-2":"8119.9418","NEG C-3":"7723.8645","NEG C-4":"8904.7861","NEG C-5":"8952.1645","NEG C-6":"7020.7273","NEG QC-1":"6880.5226","NEG QC-2":"8799.7986","NEG QC-3":"8231.3178","NEG S-1":"6977.0245","NEG S-2":"5638.0769","NEG S-3":"5179.5744","NEG S-4":"4857.7100","NEG S-5":"5283.2150","NEG S-6":"7405.7794"},{"Metabolite":"Creatine","NEG C-1":"37324.8056","NEG C-2":"33487.0086","NEG C-3":"35573.7792","NEG C-4":"32918.9100","NEG C-5":"35533.2442","NEG C-6":"32727.0860","NEG QC-1":"39394.2965","NEG QC-2":"39967.0710","NEG QC-3":"40864.7750","NEG S-1":"27246.2149","NEG S-2":"28166.9926","NEG S-3":"26586.6966","NEG S-4":"26851.0413","NEG S-5":"27691.2329","NEG S-6":"29975.9928"},{"Metabolite":"Cytidine 5^-diphosphocholine","NEG C-1":"1321.4382","NEG C-2":"1173.6527","NEG C-3":"1269.8279","NEG C-4":"1102.1346","NEG C-5":"1365.2130","NEG C-6":"1504.7775","NEG QC-1":"1535.0705","NEG QC-2":"1571.8824","NEG QC-3":"1638.1581","NEG S-1":"951.6431","NEG S-2":"1095.0035","NEG S-3":"1100.4420","NEG S-4":"1030.2352","NEG S-5":"1057.1196","NEG S-6":"1206.5124"},{"Metabolite":"Cytidine monophosphate N-acetylneuraminic acid","NEG C-1":"16475.8557","NEG C-2":"14012.3897","NEG C-3":"15365.8741","NEG C-4":"13843.8864","NEG C-5":"15404.5478","NEG C-6":"15060.3636","NEG QC-1":"18714.1373","NEG QC-2":"19114.1045","NEG QC-3":"20894.5873","NEG S-1":"11989.6585","NEG S-2":"12890.6304","NEG S-3":"12593.2795","NEG S-4":"12988.9564","NEG S-5":"12587.7675","NEG S-6":"14889.4954"},{"Metabolite":"D-Fructose","NEG C-1":"3679.5450","NEG C-2":"2834.9336","NEG C-3":"3749.3788","NEG C-4":"2257.1976","NEG C-5":"2575.1070","NEG C-6":"2754.5370","NEG QC-1":"5122.1427","NEG QC-2":"5172.9271","NEG QC-3":"5015.1470","NEG S-1":"5478.1405","NEG S-2":"6672.8975","NEG S-3":"6586.0968","NEG S-4":"4542.0678","NEG S-5":"5286.2570","NEG S-6":"5562.2725"},{"Metabolite":"D-Fructose 1_6-bisphosphate","NEG C-1":"49353.1796","NEG C-2":"44140.9635","NEG C-3":"43646.7927","NEG C-4":"41021.1351","NEG C-5":"44229.9584","NEG C-6":"45280.2867","NEG QC-1":"59362.2800","NEG QC-2":"75175.8800","NEG QC-3":"69431.2667","NEG S-1":"39464.0962","NEG S-2":"29773.5840","NEG S-3":"36788.6721","NEG S-4":"42604.4457","NEG S-5":"35856.7300","NEG S-6":"49533.3848"},{"Metabolite":"Dihomo-gamma-Linolenic Acid","NEG C-1":"31310.1352","NEG C-2":"27126.8946","NEG C-3":"36880.7788","NEG C-4":"28513.6990","NEG C-5":"30757.1565","NEG C-6":"28429.3910","NEG QC-1":"33303.9368","NEG QC-2":"23261.7593","NEG QC-3":"15045.4684","NEG S-1":"25658.4000","NEG S-2":"23922.1413","NEG S-3":"26178.6960","NEG S-4":"27297.2350","NEG S-5":"22568.6326","NEG S-6":"32301.0909"},{"Metabolite":"Dihydrozeatin","NEG C-1":"956.0191","NEG C-2":"1123.3611","NEG C-3":"1141.9841","NEG C-4":"871.4253","NEG C-5":"1025.7928","NEG C-6":"958.4456","NEG QC-1":"1317.4098","NEG QC-2":"1290.5694","NEG QC-3":"1003.6071","NEG S-1":"462.3764","NEG S-2":"543.6815","NEG S-3":"437.7672","NEG S-4":"776.7569","NEG S-5":"326.0280","NEG S-6":"569.2534"},{"Metabolite":"D-Mannose","NEG C-1":"22806.2709","NEG C-2":"18958.4838","NEG C-3":"21065.6698","NEG C-4":"14795.1767","NEG C-5":"17158.2043","NEG C-6":"17304.1288","NEG QC-1":"33988.4716","NEG QC-2":"33107.8240","NEG QC-3":"30328.7568","NEG S-1":"29262.8685","NEG S-2":"32704.6087","NEG S-3":"34467.5264","NEG S-4":"27264.1829","NEG S-5":"28623.5768","NEG S-6":"45053.4811"},{"Metabolite":"Docosatrienoic Acid","NEG C-1":"16215.0133","NEG C-2":"13809.9137","NEG C-3":"14744.9340","NEG C-4":"14610.9205","NEG C-5":"15154.6932","NEG C-6":"13986.1076","NEG QC-1":"10620.1425","NEG QC-2":"7263.6000","NEG QC-3":"6429.2590","NEG S-1":"11513.8202","NEG S-2":"9604.6377","NEG S-3":"11116.8000","NEG S-4":"10364.4149","NEG S-5":"12044.0362","NEG S-6":"10635.2421"},{"Metabolite":"Dodecanoic acid","NEG C-1":"90517.2497","NEG C-2":"80200.0986","NEG C-3":"83427.1609","NEG C-4":"72158.4977","NEG C-5":"83920.5415","NEG C-6":"81210.9646","NEG QC-1":"116766.9389","NEG QC-2":"137008.3373","NEG QC-3":"110958.5462","NEG S-1":"96386.4413","NEG S-2":"83433.8268","NEG S-3":"94543.3680","NEG S-4":"103703.8222","NEG S-5":"82914.6990","NEG S-6":"104480.4095"},{"Metabolite":"D-Proline","NEG C-1":"130627.6105","NEG C-2":"121291.5040","NEG C-3":"120902.1043","NEG C-4":"119450.9134","NEG C-5":"129817.9291","NEG C-6":"119068.2464","NEG QC-1":"205840.1160","NEG QC-2":"221115.8700","NEG QC-3":"229368.0502","NEG S-1":"178238.3566","NEG S-2":"166273.8506","NEG S-3":"164456.5450","NEG S-4":"167660.1716","NEG S-5":"175002.8650","NEG S-6":"205929.3235"},{"Metabolite":"Eicosapentaenoic acid","NEG C-1":"18840.2190","NEG C-2":"15128.9860","NEG 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