{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003077","ANALYSIS_ID":"AN005035","VERSION":"1","CREATED_ON":"February 16, 2024, 9:44 am"},

"PROJECT":{"PROJECT_TITLE":"Data-dependent and -independent acquisition lipidomics analysis reveals the tissue-dependent effect of metformin on lipid metabolism","PROJECT_SUMMARY":"Lipidomics analysis of 6 mouse tissues and plasma using MS/MS combining BRI-DIA and DDA allowed a systemic evaluation of lipidomic changes induced by metformin in different tissues. We observed that 1) the degrees of lipidomic changes induced by metformin treatment overly correlated with tissue concentrations of metformin; 2) the impact on lysoPC and cardiolipins was positively correlated with tissue concentrations of metformin, while neutral lipids such as triglycerides did not correlate with the corresponding tissue metformin concentrations.","INSTITUTE":"North Carolina State University","LAST_NAME":"Liu","FIRST_NAME":"Xiaojing","ADDRESS":"128 Polk Hall, 120 W Broughton Dr.","EMAIL":"xliu68@ncsu.edu","PHONE":"919.515.4387"},

"STUDY":{"STUDY_TITLE":"Data-dependent and -independent acquisition lipidomics analysis reveals the tissue-dependent effect of metformin on lipid metabolism (Adipose tissue measurements)","STUDY_SUMMARY":"Lipidomics analysis of 6 mouse tissues and plasma using MS/MS combining BRI-DIA and DDA allowed a systemic evaluation of lipidomic changes induced by metformin in different tissues. We observed that 1) the degrees of lipidomic changes induced by metformin treatment overly correlated with tissue concentrations of metformin; 2) the impact on lysophosphorylcholine and cardiolipins was positively correlated with tissue concentrations of metformin, while neutral lipids such as triglycerides did not correlate with the corresponding tissue metformin concentrations.","INSTITUTE":"North Carolina State University","LAST_NAME":"Liu","FIRST_NAME":"Xiaojing","ADDRESS":"128 Polk Hall, 120 W Broughton Dr.","EMAIL":"xliu68@ncsu.edu","PHONE":"919.515.4387"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"P1",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"P1.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"P2",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"P2.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"P3",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"P3.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"P4",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"P4.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"P10",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"P10.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"P11",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"P11.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"P12",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"P12.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"P13",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"P13.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"P14",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"P14.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Muscle491",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Muscle","RAW_FILE_NAME":"Muscle491.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Muscle492",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Muscle","RAW_FILE_NAME":"Muscle492.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Muscle493",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Muscle","RAW_FILE_NAME":"Muscle493.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Muscle494",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Muscle","RAW_FILE_NAME":"Muscle494.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Muscle501",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Muscle","RAW_FILE_NAME":"Muscle501.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Muscle502",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Muscle","RAW_FILE_NAME":"Muscle502.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Muscle503",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Muscle","RAW_FILE_NAME":"Muscle503.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Muscle504",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Muscle","RAW_FILE_NAME":"Muscle504.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Muscle505",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Muscle","RAW_FILE_NAME":"Muscle505.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Liver491",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Liver","RAW_FILE_NAME":"Liver491.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Liver492",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Liver","RAW_FILE_NAME":"Liver492.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Liver493",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Liver","RAW_FILE_NAME":"Liver493.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Liver494",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Liver","RAW_FILE_NAME":"Liver494.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Liver501",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Liver","RAW_FILE_NAME":"Liver501.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Liver502",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Liver","RAW_FILE_NAME":"Liver502.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Liver503",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Liver","RAW_FILE_NAME":"Liver503.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Liver504",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Liver","RAW_FILE_NAME":"Liver504.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Liver505",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Liver","RAW_FILE_NAME":"Liver505.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Heart491",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Heart","RAW_FILE_NAME":"Heart491.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Heart492",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Heart","RAW_FILE_NAME":"Heart492.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Heart494",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Heart","RAW_FILE_NAME":"Heart494.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Heart501",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Heart","RAW_FILE_NAME":"Heart501.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Heart502",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Heart","RAW_FILE_NAME":"Heart502.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Heart503",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Heart","RAW_FILE_NAME":"Heart503.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Heart504",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Heart","RAW_FILE_NAME":"Heart504.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Heart505",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Heart","RAW_FILE_NAME":"Heart505.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Intestine491",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Intestine","RAW_FILE_NAME":"Intestine491.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Intestine493",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Intestine","RAW_FILE_NAME":"Intestine493.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Intestine494",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Intestine","RAW_FILE_NAME":"Intestine494.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Intestine501",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Intestine","RAW_FILE_NAME":"Intestine501.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Intestine502",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Intestine","RAW_FILE_NAME":"Intestine502.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Intestine503",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Intestine","RAW_FILE_NAME":"Intestine503.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Intestine504",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Intestine","RAW_FILE_NAME":"Intestine504.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Intestine505",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Intestine","RAW_FILE_NAME":"Intestine505.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Kidney491",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Kidney","RAW_FILE_NAME":"Kidney491.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Kidney492",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Kidney","RAW_FILE_NAME":"Kidney492.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Kidney493",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Kidney","RAW_FILE_NAME":"Kidney493.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Kidney494",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Kidney","RAW_FILE_NAME":"Kidney494.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Kidney501",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Kidney","RAW_FILE_NAME":"Kidney501.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Kidney502",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Kidney","RAW_FILE_NAME":"Kidney502.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Kidney503",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Kidney","RAW_FILE_NAME":"Kidney503.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Kidney504",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Kidney","RAW_FILE_NAME":"Kidney504.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Kidney505",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Kidney","RAW_FILE_NAME":"Kidney505.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Adipose491",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Adipose","RAW_FILE_NAME":"Adipose491.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Adipose492",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Adipose","RAW_FILE_NAME":"Adipose492.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Adipose493",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Adipose","RAW_FILE_NAME":"Adipose493.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Adipose494",
"Factors":{"Treatment":"water"},
"Additional sample data":{"Sample type":"Adipose","RAW_FILE_NAME":"Adipose494.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Adipose501",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Adipose","RAW_FILE_NAME":"Adipose501.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Adipose502",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Adipose","RAW_FILE_NAME":"Adipose502.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Adipose503",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Adipose","RAW_FILE_NAME":"Adipose503.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Adipose505",
"Factors":{"Treatment":"metformin"},
"Additional sample data":{"Sample type":"Adipose","RAW_FILE_NAME":"Adipose505.RAW","MS level":"MS1"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_plasma_pos",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_plasma_pos.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_muscle_pos",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_muscle_pos.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_liver_pos",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_liver_pos.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_heart_pos",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_heart_pos.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_intestine_pos",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_intestine_pos.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_kidney_pos",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_kidney_pos.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_adipose_pos",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_adipose_pos.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_plasma_neg",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_plasma_neg.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_muscle_neg",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_muscle_neg.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_liver_neg",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_liver_neg.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_heart_neg",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_heart_neg.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_intestine_neg",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_intestine_neg.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_kidney_neg",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_kidney_neg.RAW","MS level":"MS2"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_adipose_neg",
"Factors":{"Treatment":"Mix"},
"Additional sample data":{"Sample type":"Plasma","RAW_FILE_NAME":"Pooled_adipose_neg.RAW","MS level":"MS2"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood was collected into tubes containing EDTA anticoagulant via cardiac puncture. Plasma was obtained by centrifugation of whole blood at 1,500 g for 10 min at 4 °C and stored at -80 °C freezer.","SAMPLE_TYPE":"plasma, adipose, liver, muscle, heart, kidney, intestine, adipose"},

"TREATMENT":{"TREATMENT_SUMMARY":"C57BL/6 mice were housed North Carolina State University Biological Resources Facility with ad libitum access to food (Laboratory Rodent Diet 5001) and water on a 12-hour light/dark cycle. At the age of 8 weeks, mice were administrated metformin in their drinking water (1mg/ml) for 12 days. Before tissue and blood collection, mice were fasted for 5 hours (6am-11am). Mice were then anesthetized with isoflurane and sacrificed via cervical dislocation."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"All tissue sample was first homogenized in liquid nitrogen and then 10-20 mg tissues were weighed into a new 1.7 ml Eppendorf tube. Ice cold extraction solvent (400 ul 80% methanol/water) and 10 ul metformin-d6 (50 ng/ul in water) was added to each sample. Geno/Grinder homogenizer was used (1500 rpm, 1 to 2 min) to further break down the tissue chunk and form an even suspension. 200 ul supernatant containing polar metabolites was removed after centrifugation at 20,000 g at 4 °C for 10 min and transferred to LC vial for polar metabolite analysis using LC-HRMS. The rest samples (200 ul solvent and insoluble pellet) were briefly homogenized using Geno/Grinder again (1500 rpm, 30 sec) to loosen the bottom pellet and better mix with extraction solvent. 480 ul MTBE and 10 ul internal standard solution were added. After rigorous vortexing, 120 ul water was added to initiate phase separation. All samples were centrifuged at 20,000 g at 4 °C for 10 min. The supernatant containing lipids was transferred to a new Eppendorf tube and dried using speed vacuum. Dry pellets were stored in -80 °C freezer until ready for LC-HRMS analysis. To extract metabolites and lipids from mouse plasma, 10 ul plasma was mixed with 10 l water containing internal standards (50 ng/ul metformin-d6, 5 mM [U-13C]-glucose and [U-13C]-lactate, and 80 ul ice cold methanol was added. After vortex for 1 min, the mixture was centrifuged with a speed of 20,000 g at 4 °C for 10 min, and 20 ul was transferred directly to LC vial without solvent evaporation, followed by LC-HRMS analysis (injection volume, 3 ul) of polar metabolites such as glucose and metformin. To the rest samples (80 l solvent and pellet), 192 ul MTBE and 10 ul lipid internal standard solution were added. After rigorous vortexing, 48 ul water was added to initiate phase separation. All samples were centrifuged at 20,000 g at 4 °C for 10 min. The supernatant containing lipids was transferred to a new Eppendorf tube and dried using speed vacuum. The dry pellets of lipids from mouse tissues or plasma were reconstituted into (300 ul for tissue and 50 ul for plasma) sample solvent (isopropanol: ethyl acetate, 1:1, v/v), and 3 ul was injected to LC-HRMS for lipidomics analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Xbridge BEH C18 column (100 × 2.1 mm, 2.5 um)","SOLVENT_A":"80% water/20% acetonitrile; 0.1% formic acid; mM ammonium formate,","SOLVENT_B":"90% isopropanol/10% acetonitrile; 0.1% formic acid; 10 mM ammonium formate","FLOW_GRADIENT":"Linear gradient was: 0 min, 40% B; 1.5 min, 40% B; 5.0 min, 85% B; 12.0 min, 97% B; 16.0 min, 97% B; 16.5 min, 40% B; 21.0 min, 40% B.","FLOW_RATE":"The flow rate was: 0.15 ml/min.","COLUMN_TEMPERATURE":"40 °C"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Orbitrap Exploris 480","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"The relevant parameters of Orbitrap Exploris 480 were as listed: vaporizer temperature, 350 °C; ion transfer tube temperature, 300 °C; sheath gas, 35; auxiliary gas, 7; sweep gas, 1; spray voltage, 3.5 kV for positive mode and 2.5 kV for negative mode; RF-lens (%), 45. The resolution was set at 120,000 (at m/z 200). The scan range was 200 to 1600 (m/z). Automatic maximum injection time (max IT) and automatic gain control (AGC) were used. MS/MS scan was acquired using Hybrid mode (BRI-DIA followed by DDA) with the inclusion list containing precursor ions in positive and negative ion mode (described in the Supplementary table 1 of our prior publication PMID: 35842862). The MS/MS condition for positive or negative ion mode was set as follows: precursor isolation window was set at 1 (m/z) for all three methods, HCD collision energy was set at 25%, orbitrap resolution of full scan and MS/MS scan was set at 60,000 and 15,000, respectively. Intensity threshold for DDA and DIA MS/MS scan was set at 10,000. LC-MS peak extraction and integration were performed using MS-DIAL with default settings."},

"MS_METABOLITE_DATA":{
"Units":"arbitrary unit",

"Data":[{"Metabolite":"CAR 14:0","Adipose491":"182133.1461","Adipose492":"614964.5385","Adipose493":"1878737.366","Adipose494":"1093078.439","Adipose501":"690616.5128","Adipose502":"598282.807","Adipose503":"585975.5804","Adipose505":"540249.8305"},{"Metabolite":"CAR 16:0","Adipose491":"1610834.157","Adipose492":"1459955.846","Adipose493":"10112679.8","Adipose494":"2664306.146","Adipose501":"1035737.744","Adipose502":"1053158.509","Adipose503":"2181275.536","Adipose505":"912554.5763"},{"Metabolite":"CAR 16:1","Adipose491":"133888.6517","Adipose492":"370225.9231","Adipose493":"2703945.951","Adipose494":"251011.5122","Adipose501":"437714.7692","Adipose502":"108309.6491","Adipose503":"214602.3214","Adipose505":"248874.7458"},{"Metabolite":"CAR 18:0","Adipose491":"916668.7079","Adipose492":"293020.9231","Adipose493":"5953065.756","Adipose494":"1045708.683","Adipose501":"272284.2051","Adipose502":"392644.693","Adipose503":"595345.1339","Adipose505":"378644.2797"},{"Metabolite":"CAR 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}

}