{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001632","ANALYSIS_ID":"AN002667","VERSION":"1","CREATED_ON":"December 15, 2020, 12:38 pm"},

"PROJECT":{"PROJECT_TITLE":"Lipidomics of Ginseng Total Secondary Saponins on Myocardial Ischemia Rat","PROJECT_SUMMARY":"Cardioprotective Effect of Ginseng Total Secondary Saponins on Myocardial Ischemia Rat via Regulating Disturbed Lipids Based on Lipidomics.","INSTITUTE":"Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College","LAST_NAME":"Wang","FIRST_NAME":"Zhe","ADDRESS":"No.2 nanwei street, xichen district, Beijing, China","EMAIL":"wangzhe@imm.ac.cn","PHONE":"+861083154880"},

"STUDY":{"STUDY_TITLE":"Lipidomics of Ginseng Total Secondary Saponins on Myocardial Ischemia Rat","STUDY_SUMMARY":"Cardioprotective Effect of Ginseng Total Secondary Saponins on Myocardial Ischemia Rat via Regulating Disturbed Lipids Based on Lipidomics.","INSTITUTE":"Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College","LAST_NAME":"Wang","FIRST_NAME":"Zhe","ADDRESS":"No.2 nanwei street, xichen district, Beijing, China","EMAIL":"wangzhe@imm.ac.cn","PHONE":"+861083154880"},

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"Sample ID":"8-A4-HS",
"Factors":{"class":"GTSS","Tissue":"heart"},
"Additional sample data":{"RAW_FILE_NAME":"140604054.d","lipid":"Sph/Cer/CoQ"}
},
{
"Subject ID":"-",
"Sample ID":"8-B2-HS",
"Factors":{"class":"GTSS","Tissue":"heart"},
"Additional sample data":{"RAW_FILE_NAME":"140604056.d","lipid":"Sph/Cer/CoQ"}
},
{
"Subject ID":"-",
"Sample ID":"8-B3-HS",
"Factors":{"class":"GTSS","Tissue":"heart"},
"Additional sample data":{"RAW_FILE_NAME":"140604057.d","lipid":"Sph/Cer/CoQ"}
},
{
"Subject ID":"-",
"Sample ID":"8-C5-HS",
"Factors":{"class":"GTSS","Tissue":"heart"},
"Additional sample data":{"RAW_FILE_NAME":"140604058.d","lipid":"Sph/Cer/CoQ"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood samples of the rats were collected to obtain plasma by centrifugation (3000r/min, 15 min) using heparin as an anticoagulant and kept at -80℃ until analysis. Hearts were collected, washed with cold saline and cut in half. One part was grinded into powder in liquid nitrogen and kept at -80℃. Heart samples were homogenized in saline on ice at the ratio of tissue to solution was 1:4 (w/v) before analysis.","SAMPLE_TYPE":"Heart"},

"TREATMENT":{"TREATMENT_SUMMARY":"Rats were divided into six rats in each group randomly as following: control rats group, MI model rats group, MI model rats pre-treated with diltiazem group (50 mg/kg, i.g.), and MI model rats pre-treated with GTSS group (200 mg/kg, i.g.). Pre-treated rats were consecutively administrated for 4 weeks. Except control rats group received saline, other rat groups received two injections of isoproterenol (85 mg/kg, s.c.) on the 27th and 28th days at an interval of 24 hours."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"100μl of plasma or tissue homogenate was transferred into a 10 ml glass tube and added 20 μl of lipid internal standards. After vortexed for 10 s, 1.5 ml of methanol and 5 ml methyl tert-butyl ether were added to the tube, and the sample was vortexed for 15 min and then added 1.5 ml water, then centrifuged at 4500r/min for 10 min (4 ℃). The upper organic phase was transferred to another glass tube, and the lower water phase was added with 2 ml secondary extractant (methyl tert-butyl ether /methanol/water,10:3:2.5, v/v/v). After vortexed for 10min and centrifuged for 15min at 4500rpm, and the upper organic phase was combined and dried under a gentle nitrogen stream. The residue was re-dissolved in 100 μl methanol/chloroform (1:1, v/v)."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1100","COLUMN_NAME":"Peeke C8 SR (150×3.0mm, 3µm)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6410 QQQ","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"The parameters for electrospray ionization tandem MS in positive ion mode were as follows: gas temperature, 350 ℃; gas flow rate, 10 l/min; nebulizer, 30 psi; and capillary voltage, 4000V. Multiple reaction monitoring was performed using the characteristic precursor-to-product ion transitions, optimized fragmentor voltages, and collision energies."},

"MS_METABOLITE_DATA":{
"Units":"pmol/ml(PS) & pmol/mg(HS)",

"Data":[{"Metabolite":"Sph 17_1","1-A2-PS":"0","1-A3-PS":"0","1-A5-PS":"0","1-B2-PS":"0","1-B3-PS":"0","1-B5-PS":"0","2-A2-PS":"0","2-A4-PS":"0","2-A5-PS":"0","2-B1-PS":"0","2-C3-PS":"0","2-C4-PS":"0","8-A2-PS":"0","8-B2-PS":"0","8-B3-PS":"0","8-C2-PS":"0","8-C4-PS":"0","8-C5-PS":"0","1-A1-HS":"10.9834","1-A3-HS":"10.8571","1-A5-HS":"8.3311","1-B1-HS":"11.8855","1-B2-HS":"12.0157","1-B5-HS":"8.6259","2-A1-HS":"8.6439","2-A2-HS":"11.7206","2-A3-HS":"9.9755","2-A4-HS":"9.9756","2-A5-HS":"9.4401","2-C5-HS":"10.0899","8-A1-HS":"8.5941","8-A2-HS":"10.6909","8-A4-HS":"8.11","8-B2-HS":"10.1043","8-B3-HS":"8.6885","8-C5-HS":"8.3239"},{"Metabolite":"HexSph 18_1","1-A2-PS":"0.3415","1-A3-PS":"0.3038","1-A5-PS":"0.1916","1-B2-PS":"0.1879","1-B3-PS":"2.612","1-B5-PS":"6.3173","2-A2-PS":"2.2849","2-A4-PS":"22.5482","2-A5-PS":"2.2413","2-B1-PS":"18.8287","2-C3-PS":"0.286","2-C4-PS":"0.3836","8-A2-PS":"2.3306","8-B2-PS":"0.2201","8-B3-PS":"0.1936","8-C2-PS":"0.2253","8-C4-PS":"0.197","8-C5-PS":"0.2266","1-A1-HS":"9.8534","1-A3-HS":"9.5819","1-A5-HS":"7.5137","1-B1-HS":"10.2873","1-B2-HS":"10.4598","1-B5-HS":"7.4409","2-A1-HS":"8.0937","2-A2-HS":"10.9497","2-A3-HS":"9.3546","2-A4-HS":"9.2063","2-A5-HS":"8.7755","2-C5-HS":"9.4172","8-A1-HS":"8.007","8-A2-HS":"10.2034","8-A4-HS":"7.7437","8-B2-HS":"9.5169","8-B3-HS":"8.1712","8-C5-HS":"7.6628"},{"Metabolite":"Sph 18_1","1-A2-PS":"158.6463","1-A3-PS":"232.7365","1-A5-PS":"262.6996","1-B2-PS":"164.7632","1-B3-PS":"279.1939","1-B5-PS":"129.6911","2-A2-PS":"337.1891","2-A4-PS":"531.4029","2-A5-PS":"260.036","2-B1-PS":"661.886","2-C3-PS":"798.9108","2-C4-PS":"652.0142","8-A2-PS":"383.3173","8-B2-PS":"336.6321","8-B3-PS":"317.1152","8-C2-PS":"448.7637","8-C4-PS":"474.1091","8-C5-PS":"458.4849","1-A1-HS":"49.4003","1-A3-HS":"50.3106","1-A5-HS":"35.2121","1-B1-HS":"63.3438","1-B2-HS":"73.012","1-B5-HS":"47.3383","2-A1-HS":"34.7473","2-A2-HS":"48.5397","2-A3-HS":"38.1276","2-A4-HS":"52.0438","2-A5-HS":"43.2108","2-C5-HS":"43.0886","8-A1-HS":"32.2931","8-A2-HS":"33.9155","8-A4-HS":"34.3241","8-B2-HS":"25.5448","8-B3-HS":"45.1589","8-C5-HS":"38.8524"},{"Metabolite":"dhSph 18_0","1-A2-PS":"72.4066","1-A3-PS":"137.1868","1-A5-PS":"111.3951","1-B2-PS":"95.0421","1-B3-PS":"163.7703","1-B5-PS":"51.386","2-A2-PS":"306.1136","2-A4-PS":"413.0387","2-A5-PS":"175.9263","2-B1-PS":"426.9692","2-C3-PS":"740.8603","2-C4-PS":"550.28","8-A2-PS":"229.5396","8-B2-PS":"207.2816","8-B3-PS":"183.2996","8-C2-PS":"229.6178","8-C4-PS":"285.9548","8-C5-PS":"277.1837","1-A1-HS":"10.8142","1-A3-HS":"11.4332","1-A5-HS":"9.4886","1-B1-HS":"13.1481","1-B2-HS":"13.7669","1-B5-HS":"9.3006","2-A1-HS":"13.8007","2-A2-HS":"18.2189","2-A3-HS":"14.9986","2-A4-HS":"22.236","2-A5-HS":"18.9412","2-C5-HS":"17.3265","8-A1-HS":"10.9166","8-A2-HS":"13.3329","8-A4-HS":"10.59","8-B2-HS":"11.2229","8-B3-HS":"11.7794","8-C5-HS":"9.6216"},{"Metabolite":"Sph 18_1_1P","1-A2-PS":"1112.1182","1-A3-PS":"1781.7636","1-A5-PS":"1968.5137","1-B2-PS":"2413.5539","1-B3-PS":"1906.469","1-B5-PS":"2867.3933","2-A2-PS":"4177.8362","2-A4-PS":"2179.6012","2-A5-PS":"1132.8182","2-B1-PS":"2029.9334","2-C3-PS":"4594.1282","2-C4-PS":"3037.9124","8-A2-PS":"2276.2858","8-B2-PS":"2053.2478","8-B3-PS":"2080.8648","8-C2-PS":"2271.3456","8-C4-PS":"3114.4137","8-C5-PS":"2836.0184","1-A1-HS":"15.7401","1-A3-HS":"15.3408","1-A5-HS":"12.2075","1-B1-HS":"16.6857","1-B2-HS":"17.0185","1-B5-HS":"12.0573","2-A1-HS":"13.2458","2-A2-HS":"17.5452","2-A3-HS":"15.2395","2-A4-HS":"15.3489","2-A5-HS":"14.2912","2-C5-HS":"15.2306","8-A1-HS":"13.0169","8-A2-HS":"16.7437","8-A4-HS":"12.7974","8-B2-HS":"15.4649","8-B3-HS":"13.2591","8-C5-HS":"12.5525"},{"Metabolite":"dhSph 18_0_1P","1-A2-PS":"251.5907","1-A3-PS":"500.5693","1-A5-PS":"537.5288","1-B2-PS":"757.626","1-B3-PS":"475.5225","1-B5-PS":"746.5162","2-A2-PS":"1444.6964","2-A4-PS":"722.6238","2-A5-PS":"279.0143","2-B1-PS":"554.1353","2-C3-PS":"1417.9321","2-C4-PS":"1021.7681","8-A2-PS":"797.6572","8-B2-PS":"542.682","8-B3-PS":"632.273","8-C2-PS":"569.1788","8-C4-PS":"1032.7263","8-C5-PS":"964.8843","1-A1-HS":"0","1-A3-HS":"0","1-A5-HS":"0","1-B1-HS":"0","1-B2-HS":"0","1-B5-HS":"0","2-A1-HS":"0","2-A2-HS":"0","2-A3-HS":"0","2-A4-HS":"0","2-A5-HS":"0","2-C5-HS":"0","8-A1-HS":"0","8-A2-HS":"0","8-A4-HS":"0","8-B2-HS":"0","8-B3-HS":"0","8-C5-HS":"0"},{"Metabolite":"Cer 10_0","1-A2-PS":"107.7373","1-A3-PS":"111.841","1-A5-PS":"131.4995","1-B2-PS":"106.984","1-B3-PS":"104.2839","1-B5-PS":"116.7891","2-A2-PS":"113.0493","2-A4-PS":"122.664","2-A5-PS":"122.4673","2-B1-PS":"127.3799","2-C3-PS":"124.3682","2-C4-PS":"118.9369","8-A2-PS":"102.4178","8-B2-PS":"100.1401","8-B3-PS":"96.7831","8-C2-PS":"96.273","8-C4-PS":"110.9197","8-C5-PS":"101.5681","1-A1-HS":"139.1343","1-A3-HS":"512.06","1-A5-HS":"367.741","1-B1-HS":"462.1592","1-B2-HS":"2560.0343","1-B5-HS":"389.7875","2-A1-HS":"181.9079","2-A2-HS":"94.7311","2-A3-HS":"168.8226","2-A4-HS":"254.8977","2-A5-HS":"156.4196","2-C5-HS":"327.3972","8-A1-HS":"313.4561","8-A2-HS":"46.5838","8-A4-HS":"78.2085","8-B2-HS":"20.0858","8-B3-HS":"461.4995","8-C5-HS":"41.5808"},{"Metabolite":"Cer 12_0","1-A2-PS":"0.8176","1-A3-PS":"0.5094","1-A5-PS":"0.431","1-B2-PS":"0.3093","1-B3-PS":"0.2887","1-B5-PS":"0.2711","2-A2-PS":"0.1942","2-A4-PS":"0.3188","2-A5-PS":"0.2986","2-B1-PS":"0.2869","2-C3-PS":"0.1837","2-C4-PS":"0.2404","8-A2-PS":"0.2764","8-B2-PS":"0.1751","8-B3-PS":"0.2929","8-C2-PS":"0.1916","8-C4-PS":"0.1779","8-C5-PS":"0.2001","1-A1-HS":"0.0623","1-A3-HS":"0.0798","1-A5-HS":"0.0979","1-B1-HS":"0.0794","1-B2-HS":"0.1558","1-B5-HS":"0.0458","2-A1-HS":"0.0435","2-A2-HS":"0.051","2-A3-HS":"0.048","2-A4-HS":"0.0516","2-A5-HS":"0.0388","2-C5-HS":"0.0381","8-A1-HS":"0.0365","8-A2-HS":"0.0219","8-A4-HS":"0.016","8-B2-HS":"0.0198","8-B3-HS":"0.0335","8-C5-HS":"0.0143"},{"Metabolite":"HexCer 14_0","1-A2-PS":"37.6168","1-A3-PS":"38.2169","1-A5-PS":"39.4061","1-B2-PS":"37.8102","1-B3-PS":"42.5849","1-B5-PS":"42.5076","2-A2-PS":"45.7127","2-A4-PS":"77.2991","2-A5-PS":"44.4835","2-B1-PS":"74.6208","2-C3-PS":"44.0869","2-C4-PS":"39.0677","8-A2-PS":"36.3802","8-B2-PS":"33.6899","8-B3-PS":"34.2896","8-C2-PS":"35.2675","8-C4-PS":"35.7933","8-C5-PS":"34.3482","1-A1-HS":"0","1-A3-HS":"0","1-A5-HS":"0","1-B1-HS":"0","1-B2-HS":"0","1-B5-HS":"0","2-A1-HS":"0","2-A2-HS":"0","2-A3-HS":"0","2-A4-HS":"0","2-A5-HS":"0","2-C5-HS":"0","8-A1-HS":"0","8-A2-HS":"0","8-A4-HS":"0","8-B2-HS":"0","8-B3-HS":"0","8-C5-HS":"0"},{"Metabolite":"HexCer 16_1","1-A2-PS":"543.3658","1-A3-PS":"898.429","1-A5-PS":"333.9361","1-B2-PS":"485.2844","1-B3-PS":"690.9282","1-B5-PS":"642.5449","2-A2-PS":"932.8163","2-A4-PS":"1437.8509","2-A5-PS":"1024.6438","2-B1-PS":"827.6524","2-C3-PS":"1315.63","2-C4-PS":"709.2299","8-A2-PS":"500.6072","8-B2-PS":"615.1059","8-B3-PS":"922.8895","8-C2-PS":"695.0493","8-C4-PS":"812.0865","8-C5-PS":"675.2831","1-A1-HS":"8.0965","1-A3-HS":"13.3104","1-A5-HS":"15.1703","1-B1-HS":"18.3257","1-B2-HS":"18.79","1-B5-HS":"14.7542","2-A1-HS":"21.5601","2-A2-HS":"18.5058","2-A3-HS":"21.4912","2-A4-HS":"21.8718","2-A5-HS":"28.6033","2-C5-HS":"25.3896","8-A1-HS":"18.507","8-A2-HS":"17.9019","8-A4-HS":"14.9986","8-B2-HS":"18.5881","8-B3-HS":"13.6304","8-C5-HS":"15.7217"},{"Metabolite":"Cer 12_1_1P","1-A2-PS":"0","1-A3-PS":"0","1-A5-PS":"0","1-B2-PS":"0","1-B3-PS":"0","1-B5-PS":"0","2-A2-PS":"0","2-A4-PS":"0","2-A5-PS":"0","2-B1-PS":"0","2-C3-PS":"0","2-C4-PS":"0","8-A2-PS":"0","8-B2-PS":"0","8-B3-PS":"0","8-C2-PS":"0","8-C4-PS":"0","8-C5-PS":"0","1-A1-HS":"5.5773","1-A3-HS":"6.7949","1-A5-HS":"4.0497","1-B1-HS":"4.9275","1-B2-HS":"5.5934","1-B5-HS":"4.3866","2-A1-HS":"4.0956","2-A2-HS":"4.6875","2-A3-HS":"4.1005","2-A4-HS":"6.0193","2-A5-HS":"4.1952","2-C5-HS":"6.0388","8-A1-HS":"3.6649","8-A2-HS":"3.8524","8-A4-HS":"2.5177","8-B2-HS":"3.1318","8-B3-HS":"2.6229","8-C5-HS":"3.2891"},{"Metabolite":"Cer 14_0","1-A2-PS":"10.9966","1-A3-PS":"17.0376","1-A5-PS":"10.7843","1-B2-PS":"9.6139","1-B3-PS":"14.2501","1-B5-PS":"14.1789","2-A2-PS":"8.7791","2-A4-PS":"40.7747","2-A5-PS":"11.3618","2-B1-PS":"34.9401","2-C3-PS":"9.0488","2-C4-PS":"6.2812","8-A2-PS":"2.8832","8-B2-PS":"2.5869","8-B3-PS":"3.944","8-C2-PS":"5.0338","8-C4-PS":"3.1831","8-C5-PS":"4.1632","1-A1-HS":"13.5244","1-A3-HS":"19.2934","1-A5-HS":"15.3482","1-B1-HS":"19.1373","1-B2-HS":"22.8533","1-B5-HS":"19.1395","2-A1-HS":"17.8272","2-A2-HS":"15.716","2-A3-HS":"15.9103","2-A4-HS":"16.3755","2-A5-HS":"21.6208","2-C5-HS":"16.403","8-A1-HS":"11.6036","8-A2-HS":"3.4997","8-A4-HS":"4.4196","8-B2-HS":"3.6808","8-B3-HS":"10.7698","8-C5-HS":"14.1521"},{"Metabolite":"HexCer 16_0","1-A2-PS":"1022.6805","1-A3-PS":"1725.0362","1-A5-PS":"880.7542","1-B2-PS":"965.2177","1-B3-PS":"1880.925","1-B5-PS":"1874.0809","2-A2-PS":"3140.2843","2-A4-PS":"5687.5802","2-A5-PS":"1937.0798","2-B1-PS":"2443.9507","2-C3-PS":"3075.4758","2-C4-PS":"2170.8885","8-A2-PS":"1270.0835","8-B2-PS":"1403.4736","8-B3-PS":"1671.4065","8-C2-PS":"1718.9614","8-C4-PS":"2108.0831","8-C5-PS":"1953.7598","1-A1-HS":"28.3607","1-A3-HS":"36.9644","1-A5-HS":"40.5873","1-B1-HS":"48.8956","1-B2-HS":"47.8485","1-B5-HS":"36.2365","2-A1-HS":"197.6355","2-A2-HS":"112.3009","2-A3-HS":"146.1449","2-A4-HS":"250.5348","2-A5-HS":"242.1113","2-C5-HS":"313.1613","8-A1-HS":"104.0659","8-A2-HS":"136.54","8-A4-HS":"116.7973","8-B2-HS":"65.5094","8-B3-HS":"57.1045","8-C5-HS":"74.2393"},{"Metabolite":"Cer 12_0_1P","1-A2-PS":"0","1-A3-PS":"0","1-A5-PS":"0","1-B2-PS":"0","1-B3-PS":"0","1-B5-PS":"0","2-A2-PS":"0","2-A4-PS":"0","2-A5-PS":"0","2-B1-PS":"0","2-C3-PS":"0","2-C4-PS":"0","8-A2-PS":"0","8-B2-PS":"0","8-B3-PS":"0","8-C2-PS":"0","8-C4-PS":"0","8-C5-PS":"0","1-A1-HS":"47.5511","1-A3-HS":"41.4157","1-A5-HS":"15.8506","1-B1-HS":"27.229","1-B2-HS":"23.2673","1-B5-HS":"15.6557","2-A1-HS":"7.9138","2-A2-HS":"12.2515","2-A3-HS":"8.689","2-A4-HS":"15.3011","2-A5-HS":"9.1937","2-C5-HS":"12.4744","8-A1-HS":"7.8772","8-A2-HS":"8.2202","8-A4-HS":"4.6805","8-B2-HS":"8.0418","8-B3-HS":"7.4958","8-C5-HS":"7.0963"},{"Metabolite":"HexCer 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}

}