{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002997","ANALYSIS_ID":"AN004922","VERSION":"1","CREATED_ON":"December 6, 2023, 12:05 am"},

"PROJECT":{"PROJECT_TITLE":"SZDP Metabolomic studies","PROJECT_TYPE":"LC_MS","PROJECT_SUMMARY":"A metabolomics study was conducted to elucidate the metabolic mechanism of Shenzao dripping pill against myocardial ischemia.","INSTITUTE":"Guangdong Pharmaceutical University","DEPARTMENT":"Engineering & Technology Research Center for Chinese Materia Medica Quality of the Universities of Guangdong Province","LABORATORY":"Key Laboratory of Digital Quality Evaluation of Chinese Materia Medica of State Administration of Traditional Chinese Medicine","LAST_NAME":"Kuang","FIRST_NAME":"Jiehui","ADDRESS":"Waihuan East Road, 280, Guangzhou, Guangdong, 510006, China","EMAIL":"kuang_jieh@163.com","PHONE":"(020)-222-3333","FUNDING_SOURCE":"This research was funded by the Project of the Science and Technology Plan Project of Guangzhou (No. 201803010115), the National Natural Science Foundation of China (No. 82173972), and the National Major"},

"STUDY":{"STUDY_TITLE":"Metabolomic analysis reveal mechanisms of Shenzao dripping pill against myocardial ischemia","STUDY_SUMMARY":"This study employed the advanced Ultra-high performance liquid chromatography-quadruple-Exactive Orbitrap mass spectrometry technology to detect biomarkers related to myocardial ischemia in rats. Additionally, it aimed to investigate the effect of the Shenzao dripping pill on rectifying metabolic disorders and preserving the metabolites in dynamic balance during myocardial ischemia, analyze potential metabolic pathways, and elucidate the mechanism of action of SZDP through the lens of metabolomics.","INSTITUTE":"Guangdong Pharmaceutical University","DEPARTMENT":"Engineering & Technology Research Center for Chinese Materia Medica Quality of the Universities of Guangdong Province","LABORATORY":"Key Laboratory of Digital Quality Evaluation of Chinese Materia Medica of State Administration of Traditional Chinese Medicine","LAST_NAME":"Kuang","FIRST_NAME":"Jiehui","ADDRESS":"Waihuan East Road, 280, Guangzhou, Guangdong, 510006, China","EMAIL":"kuang_jieh@163.com","STUDY_TYPE":"Metabolomic analysis on serum samples of SZDP against MI","PHONE":"(020)-222-3333"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Rattus norvegicus","TAXONOMY_ID":"10116"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"M1",
"Factors":{"Treatment":"Coronary ligation surgery"},
"Additional sample data":{"RAW_FILE_NAME":"M1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"M2",
"Factors":{"Treatment":"Coronary ligation surgery"},
"Additional sample data":{"RAW_FILE_NAME":"M2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"M3",
"Factors":{"Treatment":"Coronary ligation surgery"},
"Additional sample data":{"RAW_FILE_NAME":"M3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"M4",
"Factors":{"Treatment":"Coronary ligation surgery"},
"Additional sample data":{"RAW_FILE_NAME":"M4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"M5",
"Factors":{"Treatment":"Coronary ligation surgery"},
"Additional sample data":{"RAW_FILE_NAME":"M5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"M6",
"Factors":{"Treatment":"Coronary ligation surgery"},
"Additional sample data":{"RAW_FILE_NAME":"M6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"M7",
"Factors":{"Treatment":"Coronary ligation surgery"},
"Additional sample data":{"RAW_FILE_NAME":"M7.raw"}
},
{
"Subject ID":"-",
"Sample ID":"M8",
"Factors":{"Treatment":"Coronary ligation surgery"},
"Additional sample data":{"RAW_FILE_NAME":"M8.raw"}
},
{
"Subject ID":"-",
"Sample ID":"M9",
"Factors":{"Treatment":"Coronary ligation surgery"},
"Additional sample data":{"RAW_FILE_NAME":"M9.raw"}
},
{
"Subject ID":"-",
"Sample ID":"S1",
"Factors":{"Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"S1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"S2",
"Factors":{"Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"S2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"S3",
"Factors":{"Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"S3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"S4",
"Factors":{"Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"S4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"S5",
"Factors":{"Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"S5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"S6",
"Factors":{"Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"S6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"S7",
"Factors":{"Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"S7.raw"}
},
{
"Subject ID":"-",
"Sample ID":"S8",
"Factors":{"Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"S8.raw"}
},
{
"Subject ID":"-",
"Sample ID":"SZ1",
"Factors":{"Treatment":"SZDP-H"},
"Additional sample data":{"RAW_FILE_NAME":"SZ1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"SZ2",
"Factors":{"Treatment":"SZDP-H"},
"Additional sample data":{"RAW_FILE_NAME":"SZ2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"SZ3",
"Factors":{"Treatment":"SZDP-H"},
"Additional sample data":{"RAW_FILE_NAME":"SZ3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"SZ4",
"Factors":{"Treatment":"SZDP-H"},
"Additional sample data":{"RAW_FILE_NAME":"SZ4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"SZ5",
"Factors":{"Treatment":"SZDP-H"},
"Additional sample data":{"RAW_FILE_NAME":"SZ5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"SZ6",
"Factors":{"Treatment":"SZDP-H"},
"Additional sample data":{"RAW_FILE_NAME":"SZ6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"SZ7",
"Factors":{"Treatment":"SZDP-H"},
"Additional sample data":{"RAW_FILE_NAME":"SZ7.raw"}
},
{
"Subject ID":"-",
"Sample ID":"SZ8",
"Factors":{"Treatment":"SZDP-H"},
"Additional sample data":{"RAW_FILE_NAME":"SZ8.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood was collected from abdominal aorta, and the serum samples were obtained by separating the supernatant from the blood centrifugation with 3,500 rpm for 10 min after 30 min of coagulation and stored in the refrigerator at −80°C immediately.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Rats in the model and sham groups were given a solution of 0.5% CMC-Na; in the high dose of the SZDP group was administered 500 mg/kg SZDP. All rats were subjected to intragastric administration once daily."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"In each 200 μL aliquot of serum sample, 600 μL of acetonitrile was added and the mixture was thoroughly mixed for a duration of 1 minute. Then, the mixture was subjected to centrifugation at 13000 rpm and 4 °C for a period of 15 min. The supernatant was collected and evaporated to dryness with nitrogen. Methanol (100 μL) was added, and the reconstituted mixture was vortexed and centrifuged at 13000 rpm and a temperature of 4 °C for 15 min."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um)","SOLVENT_A":"100% water; 0.1% formic acid","SOLVENT_B":"100% acetonitrile","FLOW_GRADIENT":"0–2 minutes, 5% B; 2–5 minutes, 5%–50% B; 5–6 minutes, 50% B; 6–18 minutes, 50%–100% B.","FLOW_RATE":"0.4 mL/min","COLUMN_TEMPERATURE":"40 °C"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Mass spectrometry was set to positive and negative ion switching mode using an electrospray ionization source operated at 350 °C. The specific MS conditions were established: the sheath gas flow rate was 55 arb. Units; the auxiliary gas flow rate was 15 arb. Units with a temperature of 200 °C; the electrospray voltage was 3.5 kV in positive ion mode and -3.8 kV in negative ion mode.","MS_RESULTS_FILE":"ST002997_AN004922_Results.txt UNITS:Peak area Has m/z:Yes Has RT:Yes RT units:Minutes"}

}