{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002716","ANALYSIS_ID":"AN004404","VERSION":"1","CREATED_ON":"May 30, 2023, 10:43 am"},

"PROJECT":{"PROJECT_TITLE":"Ventricle-specific myocardial protein and metabolite characterisation in healthy humans, with differential regulation in end-stage cardiomyopathies","PROJECT_SUMMARY":"The left and right ventricles of the human heart are functionally and developmentally distinct such that genetic or acquired insults can cause dysfunction in one or both ventricles resulting in heart failure. First, we performed unbiased quantitative mass spectrometry on the myocardium of 25-27 pre-mortem cryopreserved non-diseased human hearts to compare the metabolome and proteome between the normal left and right ventricles. Constituents of gluconeogenesis, glycolysis, lipogenesis, lipolysis, fatty acid catabolism, the citrate cycle and oxidative phosphorylation were down-regulated in the left ventricle, while glycogenesis, pyruvate and ketone metabolism were up-regulated. Inter-ventricular significance of these metabolic pathways was then found to be diminished within end-stage dilated cardiomyopathy and ischaemic cardiomyopathy (n = 30-33), while heart failure-associated pathways were increased in the left ventricle relative to the right within ischaemic cardiomyopathy, such as fluid sheer-stress, increased glutamine to glutamate ratio, and down-regulation of contractile proteins indicating a left ventricular pathological bias.","INSTITUTE":"The University of Sydney","LAST_NAME":"Hunter","FIRST_NAME":"Benjamin","ADDRESS":"John Hopkins Dr, Camperdown, NSW, 2006, Australia","EMAIL":"benjamin.hunter@sydney.edu.au","PHONE":"+61422525639"},

"STUDY":{"STUDY_TITLE":"Ventricle-specific myocardial protein and metabolite characterisation in healthy humans, with differential regulation in end-stage cardiomyopathies (Part 1)","STUDY_SUMMARY":"The left and right ventricles of the human heart are functionally and developmentally distinct such that genetic or acquired insults can cause dysfunction in one or both ventricles resulting in heart failure. First, we performed unbiased quantitative mass spectrometry on the myocardium of 25-27 pre-mortem cryopreserved non-diseased human hearts to compare the metabolome and proteome between the normal left and right ventricles. Constituents of gluconeogenesis, glycolysis, lipogenesis, lipolysis, fatty acid catabolism, the citrate cycle and oxidative phosphorylation were down-regulated in the left ventricle, while glycogenesis, pyruvate and ketone metabolism were up-regulated. Inter-ventricular significance of these metabolic pathways was then found to be diminished within end-stage dilated cardiomyopathy and ischaemic cardiomyopathy (n = 30-33), while heart failure-associated pathways were increased in the left ventricle relative to the right within ischaemic cardiomyopathy, such as fluid sheer-stress, increased glutamine to glutamate ratio, and down-regulation of contractile proteins indicating a left ventricular pathological bias.","INSTITUTE":"University of Sydney","LAST_NAME":"Hunter","FIRST_NAME":"Benjamin","ADDRESS":"John Hopkins Dr, Camperdown, NSW, 2006, Australia","EMAIL":"benjamin.hunter@sydney.edu.au","PHONE":"+61422525639"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Donor21",
"Sample ID":"Raw_SmpID_9",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"83","2018_Mass_Spec ID":"1","RAW_FILE_NAME":"83_1"}
},
{
"Subject ID":"ICM9",
"Sample ID":"Raw_SmpID_32",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"22","2018_Mass_Spec ID":"2","RAW_FILE_NAME":"22_2"}
},
{
"Subject ID":"ICM11",
"Sample ID":"Raw_SmpID_33",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"2","2018_Mass_Spec ID":"3","RAW_FILE_NAME":"2_3"}
},
{
"Subject ID":"Donor18",
"Sample ID":"Raw_SmpID_5",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"37","2018_Mass_Spec ID":"4","RAW_FILE_NAME":"37_4"}
},
{
"Subject ID":"ICM11",
"Sample ID":"Raw_SmpID_34",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"3","2018_Mass_Spec ID":"6","RAW_FILE_NAME":"3_6"}
},
{
"Subject ID":"ICM4",
"Sample ID":"Raw_SmpID_35",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"94","2018_Mass_Spec ID":"7","RAW_FILE_NAME":"94_7"}
},
{
"Subject ID":"Donor20",
"Sample ID":"Raw_SmpID_4",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"29","2018_Mass_Spec ID":"8","RAW_FILE_NAME":"29_8"}
},
{
"Subject ID":"ICM8",
"Sample ID":"Raw_SmpID_36",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"24","2018_Mass_Spec ID":"10","RAW_FILE_NAME":"24_10"}
},
{
"Subject ID":"ICM16",
"Sample ID":"Raw_SmpID_27",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"79","2018_Mass_Spec ID":"11","RAW_FILE_NAME":"79_11"}
},
{
"Subject ID":"ICM12",
"Sample ID":"Raw_SmpID_37",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"70","2018_Mass_Spec ID":"13","RAW_FILE_NAME":"70_13"}
},
{
"Subject ID":"Donor14",
"Sample ID":"Raw_SmpID_12",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"20","2018_Mass_Spec ID":"14","RAW_FILE_NAME":"20_14"}
},
{
"Subject ID":"Donor25",
"Sample ID":"Raw_SmpID_1",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"78","2018_Mass_Spec ID":"15","RAW_FILE_NAME":"78_15"}
},
{
"Subject ID":"ICM12",
"Sample ID":"Raw_SmpID_43",
"Factors":{"Condition":"ICM","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"57","2018_Mass_Spec ID":"17","RAW_FILE_NAME":"57_17"}
},
{
"Subject ID":"ICM11",
"Sample ID":"Raw_SmpID_44",
"Factors":{"Condition":"ICM","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"19","2018_Mass_Spec ID":"18","RAW_FILE_NAME":"19_18"}
},
{
"Subject ID":"DCM13",
"Sample ID":"Raw_SmpID_47",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"4","2018_Mass_Spec ID":"19","RAW_FILE_NAME":"4_19"}
},
{
"Subject ID":"DCM5",
"Sample ID":"Raw_SmpID_48",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"50","2018_Mass_Spec ID":"20","RAW_FILE_NAME":"50_20"}
},
{
"Subject ID":"Donor14",
"Sample ID":"Raw_SmpID_26",
"Factors":{"Condition":"Donor","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"92","2018_Mass_Spec ID":"21","RAW_FILE_NAME":"92_21"}
},
{
"Subject ID":"DCM10",
"Sample ID":"Raw_SmpID_64",
"Factors":{"Condition":"DCM","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"14","2018_Mass_Spec ID":"22","RAW_FILE_NAME":"14_22"}
},
{
"Subject ID":"DCM6",
"Sample ID":"Raw_SmpID_53",
"Factors":{"Condition":"DCM","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"18","2018_Mass_Spec ID":"23","RAW_FILE_NAME":"18_23"}
},
{
"Subject ID":"DCM13",
"Sample ID":"Raw_SmpID_52",
"Factors":{"Condition":"DCM","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"59","2018_Mass_Spec ID":"24","RAW_FILE_NAME":"59_24"}
},
{
"Subject ID":"Donor18",
"Sample ID":"Raw_SmpID_23",
"Factors":{"Condition":"Donor","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"72","2018_Mass_Spec ID":"25","RAW_FILE_NAME":"72_25"}
},
{
"Subject ID":"ICM9",
"Sample ID":"Raw_SmpID_45",
"Factors":{"Condition":"ICM","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"27","2018_Mass_Spec ID":"28","RAW_FILE_NAME":"27_28"}
},
{
"Subject ID":"Donor21",
"Sample ID":"Raw_SmpID_24",
"Factors":{"Condition":"Donor","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"87","2018_Mass_Spec ID":"29","RAW_FILE_NAME":"87_29"}
},
{
"Subject ID":"Donor20",
"Sample ID":"Raw_SmpID_25",
"Factors":{"Condition":"Donor","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"68","2018_Mass_Spec ID":"30","RAW_FILE_NAME":"68_30"}
},
{
"Subject ID":"DCM5",
"Sample ID":"Raw_SmpID_54",
"Factors":{"Condition":"DCM","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"55","2018_Mass_Spec ID":"31","RAW_FILE_NAME":"55_31"}
},
{
"Subject ID":"DCM7",
"Sample ID":"Raw_SmpID_55",
"Factors":{"Condition":"DCM","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"84","2018_Mass_Spec ID":"32","RAW_FILE_NAME":"84_32"}
},
{
"Subject ID":"ICM16",
"Sample ID":"Raw_SmpID_42",
"Factors":{"Condition":"ICM","Location":"RV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"49","2018_Mass_Spec ID":"33","RAW_FILE_NAME":"49_33"}
},
{
"Subject ID":"DCM10",
"Sample ID":"Raw_SmpID_57",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"13","2018_Mass_Spec ID":"34","RAW_FILE_NAME":"13_34"}
},
{
"Subject ID":"DCM7",
"Sample ID":"Raw_SmpID_49",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"63","2018_Mass_Spec ID":"35","RAW_FILE_NAME":"63_35"}
},
{
"Subject ID":"Donor3",
"Sample ID":"Raw_SmpID_13",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"48","2018_Mass_Spec ID":"36","RAW_FILE_NAME":"48_36"}
},
{
"Subject ID":"DCM1",
"Sample ID":"Raw_SmpID_50",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"82","2018_Mass_Spec ID":"37","RAW_FILE_NAME":"82_37"}
},
{
"Subject ID":"Donor17",
"Sample ID":"Raw_SmpID_2",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"8","2018_Mass_Spec ID":"38","RAW_FILE_NAME":"8_38"}
},
{
"Subject ID":"Donor27",
"Sample ID":"Raw_SmpID_3",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"89","2018_Mass_Spec ID":"39","RAW_FILE_NAME":"89_39"}
},
{
"Subject ID":"Donor13",
"Sample ID":"Raw_SmpID_14",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"12","2018_Mass_Spec ID":"40","RAW_FILE_NAME":"12_40"}
},
{
"Subject ID":"DCM3",
"Sample ID":"Raw_SmpID_51",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"64","2018_Mass_Spec ID":"43","RAW_FILE_NAME":"64_43"}
},
{
"Subject ID":"Donor4",
"Sample ID":"Raw_SmpID_15",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"88","2018_Mass_Spec ID":"44","RAW_FILE_NAME":"88_44"}
},
{
"Subject ID":"Donor2",
"Sample ID":"Raw_SmpID_16",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"90","2018_Mass_Spec ID":"45","RAW_FILE_NAME":"90_45"}
},
{
"Subject ID":"ICM1",
"Sample ID":"Raw_SmpID_46",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"28","2018_Mass_Spec ID":"47","RAW_FILE_NAME":"28_47"}
},
{
"Subject ID":"DCM11",
"Sample ID":"Raw_SmpID_56",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"43","2018_Mass_Spec ID":"48","RAW_FILE_NAME":"43_48"}
},
{
"Subject ID":"ICM18",
"Sample ID":"Raw_SmpID_28",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"42","2018_Mass_Spec ID":"49","RAW_FILE_NAME":"42_49"}
},
{
"Subject ID":"Donor20",
"Sample ID":"Raw_SmpID_11",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"60","2018_Mass_Spec ID":"50","RAW_FILE_NAME":"60_50"}
},
{
"Subject ID":"Donor5",
"Sample ID":"Raw_SmpID_17",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"9","2018_Mass_Spec ID":"52","RAW_FILE_NAME":"9_52"}
},
{
"Subject ID":"Donor18",
"Sample ID":"Raw_SmpID_10",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"80","2018_Mass_Spec ID":"53","RAW_FILE_NAME":"80_53"}
},
{
"Subject ID":"Donor11",
"Sample ID":"Raw_SmpID_18",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"47","2018_Mass_Spec ID":"54","RAW_FILE_NAME":"47_54"}
},
{
"Subject ID":"DCM14",
"Sample ID":"Raw_SmpID_58",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"25","2018_Mass_Spec ID":"55","RAW_FILE_NAME":"25_55"}
},
{
"Subject ID":"Donor23",
"Sample ID":"Raw_SmpID_6",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"67","2018_Mass_Spec ID":"56","RAW_FILE_NAME":"67_56"}
},
{
"Subject ID":"DCM9",
"Sample ID":"Raw_SmpID_60",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"17","2018_Mass_Spec ID":"57","RAW_FILE_NAME":"17_57"}
},
{
"Subject ID":"ICM5",
"Sample ID":"Raw_SmpID_38",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"44","2018_Mass_Spec ID":"59","RAW_FILE_NAME":"44_59"}
},
{
"Subject ID":"DCM8",
"Sample ID":"Raw_SmpID_61",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"23","2018_Mass_Spec ID":"60","RAW_FILE_NAME":"23_60"}
},
{
"Subject ID":"Donor26",
"Sample ID":"Raw_SmpID_7",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"39","2018_Mass_Spec ID":"61","RAW_FILE_NAME":"39_61"}
},
{
"Subject ID":"ICM16",
"Sample ID":"Raw_SmpID_29",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"52","2018_Mass_Spec ID":"62","RAW_FILE_NAME":"52_62"}
},
{
"Subject ID":"Donor14",
"Sample ID":"Raw_SmpID_19",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"33","2018_Mass_Spec ID":"63","RAW_FILE_NAME":"33_63"}
},
{
"Subject ID":"DCM10",
"Sample ID":"Raw_SmpID_59",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"45","2018_Mass_Spec ID":"65","RAW_FILE_NAME":"45_65"}
},
{
"Subject ID":"ICM10",
"Sample ID":"Raw_SmpID_39",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"54","2018_Mass_Spec ID":"66","RAW_FILE_NAME":"54_66"}
},
{
"Subject ID":"DCM2",
"Sample ID":"Raw_SmpID_62",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"73","2018_Mass_Spec ID":"67","RAW_FILE_NAME":"73_67"}
},
{
"Subject ID":"ICM19",
"Sample ID":"Raw_SmpID_30",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"38","2018_Mass_Spec ID":"68","RAW_FILE_NAME":"38_68"}
},
{
"Subject ID":"ICM13",
"Sample ID":"Raw_SmpID_31",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"34","2018_Mass_Spec ID":"69","RAW_FILE_NAME":"34_69"}
},
{
"Subject ID":"Donor12",
"Sample ID":"Raw_SmpID_20",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"30","2018_Mass_Spec ID":"70","RAW_FILE_NAME":"30_70"}
},
{
"Subject ID":"ICM4",
"Sample ID":"Raw_SmpID_40",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"74","2018_Mass_Spec ID":"71","RAW_FILE_NAME":"74_71"}
},
{
"Subject ID":"ICM3",
"Sample ID":"Raw_SmpID_41",
"Factors":{"Condition":"ICM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"7","2018_Mass_Spec ID":"72","RAW_FILE_NAME":"7_72"}
},
{
"Subject ID":"DCM4",
"Sample ID":"Raw_SmpID_63",
"Factors":{"Condition":"DCM","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"93","2018_Mass_Spec ID":"73","RAW_FILE_NAME":"93_73"}
},
{
"Subject ID":"Donor8",
"Sample ID":"Raw_SmpID_21",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"75","2018_Mass_Spec ID":"75","RAW_FILE_NAME":"75_75"}
},
{
"Subject ID":"Donor1",
"Sample ID":"Raw_SmpID_22",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"69","2018_Mass_Spec ID":"76","RAW_FILE_NAME":"69_76"}
},
{
"Subject ID":"Donor16",
"Sample ID":"Raw_SmpID_8",
"Factors":{"Condition":"Donor","Location":"LV"},
"Additional sample data":{"Year":"2018","2018_Run_position":"62","2018_Mass_Spec ID":"77","RAW_FILE_NAME":"62_77"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Donated human myocardium. Refer to uploaded acquisition methods.","COLLECTION_PROTOCOL_FILENAME":"LVvsRV_Metabolomics_Methods_2018.docx","SAMPLE_TYPE":"Heart","STORAGE_CONDITIONS":"Described in summary"},

"TREATMENT":{"TREATMENT_SUMMARY":"Human myocardial tissue from the left ventricle was compared to the right ventricle within three conditions; non-diseased donors, ischaemic cardiomyopathy, and dilated cardiomyopathy, but not between the different conditions.","TREATMENT_PROTOCOL_FILENAME":"LVvsRV_Metabolomics_Methods_2018.docx"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Refer to the uploaded methods file.","SAMPLEPREP_PROTOCOL_FILENAME":"LVvsRV_Metabolomics_Methods_2018.docx"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"HPLC gradient: The HPLC gradient program is initialized with an initial mobile phase composition of 15% solvent A and 85% solvent B at a flow rate of 0.25 mL/min. Over the course of 8 minutes, the mobile phase composition undergoes a transition to 65% solvent A and 35% solvent B. Subsequently, at 8 minutes, the composition shifts to 98% solvent A and 2% solvent B, maintained for 1 minute. The mobile phase reverts back to the initial composition of 15% solvent A and 85% solvent B at 10 minutes. At 12.5 minutes, the flow rate is increased to 0.5 mL/min, while maintaining a constant mobile phase composition of 15% solvent A and 85% solvent B for a period of 2.5 minutes. Finally, at 15 minutes, the flow rate is reduced back to 0.25 mL/min. To ensure system stability, the final condition is maintained for 1 minute prior to subsequent analyses.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Agilent 1260","COLUMN_NAME":"Waters XBridge Amide (100 x 2.1 mm,3.5um)","SOLVENT_A":"95:5 H2O:Acetonitrile (v:v) with 20mM Ammonium Acetate and 20mM Ammonium Hydroxide (pH 9.0)","SOLVENT_B":"Acetonitrile","FLOW_GRADIENT":"HPLC gradient: The HPLC gradient program is initialized with an initial mobile phase composition of 15% solvent A and 85% solvent B at a flow rate of 0.25 mL/min. Over the course of 8 minutes, the mobile phase composition undergoes a transition to 65% solvent A and 35% solvent B. Subsequently, at 8 minutes, the composition shifts to 98% solvent A and 2% solvent B, maintained for 1 minute. The mobile phase reverts back to the initial composition of 15% solvent A and 85% solvent B at 10 minutes. At 12.5 minutes, the flow rate is increased to 0.5 mL/min, while maintaining a constant mobile phase composition of 15% solvent A and 85% solvent B for a period of 2.5 minutes.","FLOW_RATE":"0.250 – 0.400 mL/min","COLUMN_TEMPERATURE":"40°C"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"LVvsRV_Metabolomics_Methods_2018.docx"},

"MS":{"INSTRUMENT_NAME":"ABI Sciex 5500 QTrap","INSTRUMENT_TYPE":"QTRAP","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"The analysis software MultiQuant 3.0 (ABSciex) was used for MRM Q1/Q3 peak integration of the raw data files (Analyst software, v.1.6.2; ABSciex)."},

"MS_METABOLITE_DATA":{
"Units":"Relative abundance",

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}