{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000605","ANALYSIS_ID":"AN000926","VERSION":"1","CREATED_ON":"May 25, 2017, 1:20 pm"},

"PROJECT":{"PROJECT_TITLE":"Whole blood and serum 1D-1H-NMR metabolomics","PROJECT_TYPE":"Cross-center Quantitative NMR Urine Metabolomics Study","PROJECT_SUMMARY":"Serum is a common sample of convenience for metabolomics studies. Its processing time can be lengthy and may result in the loss of metabolites including those of red blood cells (RBC). Unlike serum, whole blood (WB) can be quickly processed, minimizing the influence of hemolysis without excluding RBC metabolites. To determine differences between serum and WB metabolomes, both sample types, collected from healthy volunteers, were assayed by 1H-NMR spectroscopy. A total of 34 and 51 aqueous metabolites were quantified from serum and WB, respectively. Free hemoglobin (Hgb) levels in serum were measured and the correlation between Hgb and serum metabolites was determined. All metabolites detected in serum were detected at higher concentrations in WB with the exception of acetoacetate and propylene glycol. The 18 unique metabolites of WB included adenosine, AMP, ADP and ATP, which are associated with RBC metabolism. The use of serum results in the underrepresentation of a number of metabolic pathways including branched chain amino acid degradation and glycolysis and gluconeogenesis. The range of free Hgb in serum was 0.03-0.010 g/dL and 8 metabolites were associated (p < 0.05) with free Hgb. The range of free Hgb in serum samples from 18 sepsis patients was 0.02-0.46 g/dL. WB and serum have unique aqueous metabolite profiles but the use of serum may introduce potential pathway bias. Use of WB for metabolomics may be particularly important for studies in diseases like sepsis in which RBC metabolism is altered and mechanical and sepsis-induced hemolysis contributes to variance in the metabolome. This study has been published: Shock 2015;44:200-208.","INSTITUTE":"University of Michigan, University of Mississippi","DEPARTMENT":"Clinical Pharmacy, Center for Bioinformatics and Computational Medicine, Emergency Medicine (UMich); Emergency Medicine (UMISS)","LABORATORY":"NMR Metabolomics Laboratory, University of Michigan","LAST_NAME":"Stringer","FIRST_NAME":"Kathleen","ADDRESS":"College of Pharmacy, University of Michigan, 428 Church Street, Ann Arbor, MI 48109","EMAIL":"stringek@umich.edu","PHONE":"NA","FUNDING_SOURCE":"NIH (GM069438, GM113041); Upjohn Award, College of Pharmacy"},

"STUDY":{"STUDY_TITLE":"Whole blood reveals more metabolic detail of the human metabolome than serum as measured by 1H-NMR spectroscopy: Implications for sepsis metabolomics","STUDY_TYPE":"Single timepoint; healthy controls","STUDY_SUMMARY":"Healthy volunteers","INSTITUTE":"University of Michigan","DEPARTMENT":"Clinical Pharmacy","LABORATORY":"The NMR Metabolomics Laboratory (Stringer)","LAST_NAME":"Stringer","FIRST_NAME":"Kathleen","ADDRESS":"University of Michigan, 2900 Huron Parkway, Ann Arbor, MI 48105","EMAIL":"stringek@umich.edu","PHONE":"NA","TOTAL_SUBJECTS":"19 whole blood; 20 serum"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"Healthy - Mean (±SD): 54.9±8.2 years | Sepsis - Mean (+SD): 54.7±17.3 years","WEIGHT_OR_WEIGHT_RANGE":"Healthy - Mean (+SD): 74.4±1.71 kg; BMI < 30","HEIGHT_OR_HEIGHT_RANGE":"Healthy - Mean (±SD): 171.8±10.3cm","GENDER":"Healthy - males and females | Sepsis - males and females","HUMAN_RACE":"Healthy - Caucasian (C) and African American (AA) | Sepsis - Caucasian (C) and African American (AA)","HUMAN_MEDICATIONS":"Healthy - None","HUMAN_PRESCRIPTION_OTC":"Healthy - None","HUMAN_SMOKING_STATUS":"Healthy - Non smokers","HUMAN_ALCOHOL_DRUG_USE":"Healthy - None","HUMAN_INCLUSION_CRITERIA":"Healthy - non-smoking, non-obese with no known medical conditions that require chronic drug therapy | Sepsis - admitted to emergency department or intensive care unit. Clinical indices for severe sepsis or septic shock were met: confirmed or suspected infection, two or more criteria of systemic inflammatory response criteria, and hypoperfusion evidenced by either a systolic blood pressure of <90mmHg after 20 min of fluid resuscitation or a blood lactate level of at least 36 mg/dL."},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"CCMB01S",
"Factors":{"Sample Type":"Serum","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"620","NMR pH (serum)":"6.85"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB02S",
"Factors":{"Sample Type":"Serum","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"550","NMR pH (serum)":"6.53"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB03S",
"Factors":{"Sample Type":"Serum","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"415","NMR pH (serum)":"6.66"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB04S",
"Factors":{"Sample Type":"Serum","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"500","NMR pH (serum)":"6.63"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB05S",
"Factors":{"Sample Type":"Serum","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"550","NMR pH (serum)":"7.11"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB06S",
"Factors":{"Sample Type":"Serum","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"500","NMR pH (serum)":"6.37"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB07S",
"Factors":{"Sample Type":"Serum","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"655","NMR pH (serum)":"6.97"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB08S",
"Factors":{"Sample Type":"Serum","Gender":"F","Race":"AA"},
"Additional sample data":{"Initial volume (serum)":"620","NMR pH (serum)":"6.45"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB09S",
"Factors":{"Sample Type":"Serum","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"185","NMR pH (serum)":"6.87"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB10S",
"Factors":{"Sample Type":"Serum","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"490","NMR pH (serum)":"7.45"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB11S",
"Factors":{"Sample Type":"Serum","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"465","NMR pH (serum)":"6.35"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB12S",
"Factors":{"Sample Type":"Serum","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"545","NMR pH (serum)":"6.82"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB13S",
"Factors":{"Sample Type":"Serum","Gender":"F","Race":"AA"},
"Additional sample data":{"Initial volume (serum)":"680","NMR pH (serum)":"6.7"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB14S",
"Factors":{"Sample Type":"Serum","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"600","NMR pH (serum)":"6.39"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB15S",
"Factors":{"Sample Type":"Serum","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"200","NMR pH (serum)":"6.07"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB16S",
"Factors":{"Sample Type":"Serum","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"400","NMR pH (serum)":"6.74"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB17S",
"Factors":{"Sample Type":"Serum","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"450","NMR pH (serum)":"6.65"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB18S",
"Factors":{"Sample Type":"Serum","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"630","NMR pH (serum)":"6.3"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB19S",
"Factors":{"Sample Type":"Serum","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"430","NMR pH (serum)":"7.89"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB20S",
"Factors":{"Sample Type":"Serum","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"650","NMR pH (serum)":"7.93"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB01WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"650","NMR pH (serum)":"7.38"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB02WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"820","NMR pH (serum)":"7.32"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB03WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"740","NMR pH (serum)":"7.22"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB04WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"660","NMR pH (serum)":"7.42"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB05WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"680","NMR pH (serum)":"7.39"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB06WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"712","NMR pH (serum)":"7.38"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB07WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"700","NMR pH (serum)":"7.33"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB08WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"F","Race":"AA"},
"Additional sample data":{"Initial volume (serum)":"910","NMR pH (serum)":"7.43"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB09WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"728","NMR pH (serum)":"7.28"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB10WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"720","NMR pH (serum)":"7.48"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB11WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"680","NMR pH (serum)":"7.35"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB12WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"720","NMR pH (serum)":"7.19"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB13WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"F","Race":"AA"},
"Additional sample data":{"Initial volume (serum)":"810","NMR pH (serum)":"7.43"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB14WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"800","NMR pH (serum)":"7.38"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB15WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"800","NMR pH (serum)":"7.39"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB16WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"830","NMR pH (serum)":"7.47"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB17WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"790","NMR pH (serum)":"7.49"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB18WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"1000","NMR pH (serum)":"7.47"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB19WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"M","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"880","NMR pH (serum)":"7.43"}
},
{
"Subject ID":"-",
"Sample ID":"CCMB20WB",
"Factors":{"Sample Type":"Whole Blood","Gender":"F","Race":"C"},
"Additional sample data":{"Initial volume (serum)":"880","NMR pH (serum)":"7.38"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Healthy - Direct venipuncture collection of WB and Serum from healthy controls | Sepsis - Indwelling arterial or venous catheter","COLLECTION_PROTOCOL_COMMENTS":"Healthy - Fasting (12h) blood samples (serum and whole blood) were collected between 8:30-9:30am by single direct venipuncture. | Sepsis - Serum generated via indwelling catheters as part of clinical trial (NCT 00372502)","SAMPLE_TYPE":"Healthy - Blood: Whole Blood and Serum | Sepsis - Blood serum","COLLECTION_METHOD":"Healthy - Direct venipuncture | Sepsis - indwelling catheters","COLLECTION_LOCATION":"Healthy - Michigan Clinical Research Unit | Sepsis - University of Mississippi","COLLECTION_FREQUENCY":"Healthy - 1 | Sepsis - 1","COLLECTION_TIME":"Healthy - Fasting, between 0830-0930 | Sepsis - N/A","STORAGE_CONDITIONS":"Healthy - Serum: Initial RT then -80°C following processing (within 2h) Whole blood: Initial 0°C then -80°C following processing (within 10mins) | Sepsis - Initial RT then -80°C following processing (within 2h)","STORAGE_VIALS":"Healthy - SST: Becton-Dickinson vacutainer Serum Separator tubes. WB: Becton-Dickinson vacutainer Sodium Heparin tubes | Sepsis - SST: Becton-Dickinson vacutainer Serum Separator tubes","COLLECTION_TUBE_TEMP":"Healthy - RT | Sepsis - RT","ADDITIVES":"Healthy - Serum: none. Whole blood: Sodium Heparin | Sepsis - none","BLOOD_SERUM_OR_PLASMA":"Healthy - Whole blood and Serum | Sepsis - Serum"},

"TREATMENT":{"TREATMENT_SUMMARY":"No treatment"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Methanol:cholorform extraction, filtration","SAMPLEPREP_PROTOCOL_COMMENTS":"Lipid fractions saved, stored at -20°C","PROCESSING_METHOD":"Methanol:Chloroform Extraction, filtration","PROCESSING_STORAGE_CONDITIONS":"0-4°C","EXTRACTION_METHOD":"Methanol:chloroform extraction","EXTRACT_ENRICHMENT":"Ultra-filtration to remove residual protein","EXTRACT_CLEANUP":"N/A","EXTRACT_STORAGE":"-80°C","SAMPLE_RESUSPENSION":"500 uL Deuterium Oxide (D2O)","SAMPLE_SPIKING":"DSS-IS2 (Chenomx, Inc)"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"-","INSTRUMENT_NAME":"-","COLUMN_NAME":"-"},

"ANALYSIS":{"ANALYSIS_TYPE":"NMR"},

"NM":{"INSTRUMENT_NAME":"Agilent 500/54 Premium Shielded VNMRS system","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","STANDARD_CONCENTRATION":"10% (~0.5mM)","SPECTROMETER_FREQUENCY":"500 MHz","NMR_PROBE":"ONE-Probe","NMR_SOLVENT":"D2O","NMR_TUBE_SIZE":"5mm","SHIMMING_METHOD":"Auto shim (gradient shimming), manual when necessary.","PULSE_SEQUENCE":"1D-NOESY","WATER_SUPPRESSION":"saturation at 80 Hz induced field strength","PULSE_WIDTH":"5.5ms","OFFSET_FREQUENCY":"around -178Hz","CHEMICAL_SHIFT_REF_CPD":"DSS-d6 (whole blood), Formate (serum)","TEMPERATURE":"25°C","BASELINE_CORRECTION_METHOD":"manual","CHEMICAL_SHIFT_REF_STD":"DSS-d6 (whole blood), Formate (serum)","BINNED_INCREMENT":"N/A","BINNED_DATA_PROTOCOL_FILE":"N/A","BINNED_DATA_EXCLUDED_RANGE":"N/A"},

"NMR_METABOLITE_DATA":{
"Units":"uM",

"Data":[{"Metabolite":"2-Hydroxybutyrate","CCMB01S":"37.8","CCMB02S":"25","CCMB03S":"","CCMB04S":"22.8","CCMB05S":"12.1","CCMB06S":"17.8","CCMB07S":"11.7","CCMB08S":"17.9","CCMB09S":"26.7","CCMB10S":"16.7","CCMB11S":"18.5","CCMB12S":"23.1","CCMB13S":"18.4","CCMB14S":"25","CCMB15S":"29.9","CCMB16S":"17.3","CCMB17S":"20.7","CCMB18S":"87","CCMB19S":"11","CCMB20S":"10.6","CCMB01WB":"25.5","CCMB02WB":"9","CCMB03WB":"10.8","CCMB04WB":"5.9","CCMB05WB":"3.8","CCMB06WB":"7.2","CCMB07WB":"9.3","CCMB08WB":"15.3","CCMB09WB":"21.8","CCMB10WB":"11.1","CCMB11WB":"9.2","CCMB12WB":"29.2","CCMB13WB":"15.8","CCMB14WB":"12.4","CCMB15WB":"24.4","CCMB16WB":"6.3","CCMB17WB":"23.6","CCMB18WB":"64.6","CCMB19WB":"4.7","CCMB20WB":"5.2"},{"Metabolite":"2-Oxoisocaproate","CCMB01S":"12","CCMB02S":"8.5","CCMB03S":"","CCMB04S":"10.2","CCMB05S":"10.8","CCMB06S":"8.1","CCMB07S":"8.1","CCMB08S":"8.1","CCMB09S":"11.2","CCMB10S":"10.4","CCMB11S":"10","CCMB12S":"11.5","CCMB13S":"7.2","CCMB14S":"8.5","CCMB15S":"16.8","CCMB16S":"10.8","CCMB17S":"9","CCMB18S":"24","CCMB19S":"10.3","CCMB20S":"10.8","CCMB01WB":"","CCMB02WB":"","CCMB03WB":"","CCMB04WB":"","CCMB05WB":"","CCMB06WB":"","CCMB07WB":"","CCMB08WB":"","CCMB09WB":"","CCMB10WB":"","CCMB11WB":"","CCMB12WB":"","CCMB13WB":"","CCMB14WB":"","CCMB15WB":"","CCMB16WB":"","CCMB17WB":"","CCMB18WB":"","CCMB19WB":"","CCMB20WB":""},{"Metabolite":"3-Hydroxybutyrate","CCMB01S":"254.2","CCMB02S":"31.5","CCMB03S":"","CCMB04S":"44.5","CCMB05S":"15.5","CCMB06S":"21.4","CCMB07S":"14.7","CCMB08S":"35.6","CCMB09S":"54.5","CCMB10S":"16.1","CCMB11S":"22.4","CCMB12S":"54.2","CCMB13S":"27.9","CCMB14S":"31.5","CCMB15S":"22.5","CCMB16S":"72.9","CCMB17S":"24.9","CCMB18S":"145.8","CCMB19S":"31.7","CCMB20S":"121.8","CCMB01WB":"264.3","CCMB02WB":"18.2","CCMB03WB":"24.3","CCMB04WB":"19.3","CCMB05WB":"15.1","CCMB06WB":"11.3","CCMB07WB":"14.6","CCMB08WB":"24.7","CCMB09WB":"71.4","CCMB10WB":"19.3","CCMB11WB":"19.7","CCMB12WB":"57","CCMB13WB":"29.4","CCMB14WB":"19.7","CCMB15WB":"31.3","CCMB16WB":"44","CCMB17WB":"37.6","CCMB18WB":"126.7","CCMB19WB":"23.8","CCMB20WB":"68.1"},{"Metabolite":"3-Hydroxyisobutyrate","CCMB01S":"12.8","CCMB02S":"10.5","CCMB03S":"","CCMB04S":"8.7","CCMB05S":"10.6","CCMB06S":"6.3","CCMB07S":"7.8","CCMB08S":"6.1","CCMB09S":"7.4","CCMB10S":"8.1","CCMB11S":"4.2","CCMB12S":"13","CCMB13S":"4.2","CCMB14S":"10.5","CCMB15S":"11.6","CCMB16S":"11.2","CCMB17S":"8","CCMB18S":"28.7","CCMB19S":"3.8","CCMB20S":"10.9","CCMB01WB":"","CCMB02WB":"","CCMB03WB":"","CCMB04WB":"","CCMB05WB":"","CCMB06WB":"","CCMB07WB":"","CCMB08WB":"","CCMB09WB":"","CCMB10WB":"","CCMB11WB":"","CCMB12WB":"","CCMB13WB":"","CCMB14WB":"","CCMB15WB":"","CCMB16WB":"","CCMB17WB":"","CCMB18WB":"","CCMB19WB":"","CCMB20WB":""},{"Metabolite":"3-Methyl-2-oxovalerate","CCMB01S":"10.9","CCMB02S":"11.6","CCMB03S":"","CCMB04S":"11.2","CCMB05S":"11.2","CCMB06S":"11.6","CCMB07S":"10.2","CCMB08S":"10.2","CCMB09S":"11.7","CCMB10S":"10.5","CCMB11S":"8.4","CCMB12S":"8.5","CCMB13S":"8.2","CCMB14S":"11.6","CCMB15S":"16","CCMB16S":"10","CCMB17S":"11.9","CCMB18S":"22.6","CCMB19S":"10.5","CCMB20S":"12.1","CCMB01WB":"","CCMB02WB":"","CCMB03WB":"","CCMB04WB":"","CCMB05WB":"","CCMB06WB":"","CCMB07WB":"","CCMB08WB":"","CCMB09WB":"","CCMB10WB":"","CCMB11WB":"","CCMB12WB":"","CCMB13WB":"","CCMB14WB":"","CCMB15WB":"","CCMB16WB":"","CCMB17WB":"","CCMB18WB":"","CCMB19WB":"","CCMB20WB":""},{"Metabolite":"Acetate","CCMB01S":"66.3","CCMB02S":"108.8","CCMB03S":"","CCMB04S":"129.6","CCMB05S":"61.5","CCMB06S":"85.7","CCMB07S":"45.1","CCMB08S":"53.6","CCMB09S":"68.9","CCMB10S":"59.5","CCMB11S":"82.7","CCMB12S":"75.2","CCMB13S":"59.8","CCMB14S":"108.8","CCMB15S":"101.1","CCMB16S":"72","CCMB17S":"57.2","CCMB18S":"998.5","CCMB19S":"90.7","CCMB20S":"108.8","CCMB01WB":"41.8","CCMB02WB":"46.7","CCMB03WB":"43.4","CCMB04WB":"33.9","CCMB05WB":"30","CCMB06WB":"30.7","CCMB07WB":"34","CCMB08WB":"34.9","CCMB09WB":"101.2","CCMB10WB":"41.6","CCMB11WB":"43.8","CCMB12WB":"43.1","CCMB13WB":"37.6","CCMB14WB":"66.9","CCMB15WB":"85.2","CCMB16WB":"55.3","CCMB17WB":"60.8","CCMB18WB":"685.2","CCMB19WB":"51","CCMB20WB":"44.6"},{"Metabolite":"Acetoacetate","CCMB01S":"","CCMB02S":"","CCMB03S":"","CCMB04S":"","CCMB05S":"","CCMB06S":"","CCMB07S":"","CCMB08S":"","CCMB09S":"","CCMB10S":"","CCMB11S":"","CCMB12S":"","CCMB13S":"","CCMB14S":"","CCMB15S":"","CCMB16S":"","CCMB17S":"","CCMB18S":"","CCMB19S":"","CCMB20S":"","CCMB01WB":"23.8","CCMB02WB":"5","CCMB03WB":"5.4","CCMB04WB":"4","CCMB05WB":"3.8","CCMB06WB":"5.9","CCMB07WB":"5.5","CCMB08WB":"6.9","CCMB09WB":"11.6","CCMB10WB":"7.4","CCMB11WB":"7.3","CCMB12WB":"3.5","CCMB13WB":"4.9","CCMB14WB":"10","CCMB15WB":"11","CCMB16WB":"8.2","CCMB17WB":"10.3","CCMB18WB":"5.4","CCMB19WB":"6.7","CCMB20WB":"16.2"},{"Metabolite":"Adenosine","CCMB01S":"5","CCMB02S":"9.5","CCMB03S":"","CCMB04S":"10.1","CCMB05S":"3","CCMB06S":"5.4","CCMB07S":"6.2","CCMB08S":"3.8","CCMB09S":"5.1","CCMB10S":"8.8","CCMB11S":"5.2","CCMB12S":"10","CCMB13S":"3.6","CCMB14S":"9.5","CCMB15S":"9.2","CCMB16S":"23.7"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}

}