{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001259","ANALYSIS_ID":"AN002089","VERSION":"1","CREATED_ON":"October 1, 2019, 4:06 pm"},

"PROJECT":{"PROJECT_TITLE":"Targeted Metabolomic Analysis in Patients with Wilson Disease Reveals Dysregulated Choline, Methionine and Aromatic Amino Acid Metabolism: Implications for Hepatic and Neurological Phenotypes.","PROJECT_SUMMARY":"This study is comparing the plasma metabolomics profile of patients with the genetic disorder, Wilson disease, compared to healthy subjects matched by age, sex, and BMI. Wilson disease (WD) is a genetic copper overload condition characterized by hepatic and neuropsychiatric symptoms with a pathogenesis not well-understood. Choline is essential for lipid metabolism and the methionine cycle; a dysregulated methionine cycle is reported in animal models of WD, though not verified in humans. Defects in neurotransmitters, acetylcholine, and biogenic amines are reported in WD patients with neurological presentations. Precursors of these neuromodulators include choline, phenylalanine, tyrosine, and histidine. Less is known about the circulating levels of these precursors in WD. We aimed to study choline, methionine, aromatic amino acids, and phospholipids in serum profiles of WD subjects compared to healthy subjects (HC).","INSTITUTE":"University of California, Davis","LAST_NAME":"Medici","FIRST_NAME":"Valentina","ADDRESS":"4150 V St, Sacramento CA 95817","EMAIL":"vmedici@ucdavis.edu","PHONE":"9167342011"},

"STUDY":{"STUDY_TITLE":"Targeted Metabolomic Analysis in Patients with Wilson Disease Reveals Dysregulated Choline, Methionine and Aromatic Amino Acid Metabolism: Implications for Hepatic and Neurological Phenotypes","STUDY_TYPE":"Cross-sectional","STUDY_SUMMARY":"This study is comparing the plasma metabolomics profile of patients with the genetic disorder, Wilson disease, compared to healthy subjects matched by age, sex, and BMI. Wilson disease (WD) is a genetic copper overload condition characterized by hepatic and neuropsychiatric symptoms with a pathogenesis not well-understood. Choline is essential for lipid metabolism and the methionine cycle; a dysregulated methionine cycle is reported in animal models of WD, though not verified in humans. Defects in neurotransmitters, acetylcholine, and biogenic amines are reported in WD patients with neurological presentations. Precursors of these neuromodulators include choline, phenylalanine, tyrosine, and histidine. Less is known about the circulating levels of these precursors in WD. We aimed to study choline, methionine, aromatic amino acids, and phospholipids in serum profiles of WD subjects compared to healthy subjects (HC).","INSTITUTE":"University of California, Davis","LAST_NAME":"Medici","FIRST_NAME":"Valentina","ADDRESS":"4150 V St, Sacramento CA 95817","EMAIL":"vmedici@ucdavis.edu","PHONE":"9167342011","TOTAL_SUBJECTS":"76"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Subject001",
"Sample ID":"Sample001",
"Factors":{"Treatment Group":"Healthy","Gender":"Male"},
"Additional sample data":{"Age":"27","BMI":"22.8"}
},
{
"Subject ID":"Subject002",
"Sample ID":"Sample002",
"Factors":{"Treatment Group":"Healthy","Gender":"Male"},
"Additional sample data":{"Age":"45","BMI":"30.5"}
},
{
"Subject ID":"Subject003",
"Sample ID":"Sample003",
"Factors":{"Treatment Group":"Healthy","Gender":"Male"},
"Additional sample data":{"Age":"28","BMI":"30.7"}
},
{
"Subject ID":"Subject004",
"Sample ID":"Sample004",
"Factors":{"Treatment Group":"Healthy","Gender":"Male"},
"Additional sample data":{"Age":"33","BMI":"26.2"}
},
{
"Subject ID":"Subject005",
"Sample ID":"Sample005",
"Factors":{"Treatment Group":"Healthy","Gender":"Male"},
"Additional sample data":{"Age":"32","BMI":"22.8"}
},
{
"Subject ID":"Subject006",
"Sample ID":"Sample006",
"Factors":{"Treatment Group":"Healthy","Gender":"Female"},
"Additional sample data":{"Age":"38","BMI":"20.1"}
},
{
"Subject ID":"Subject007",
"Sample ID":"Sample007",
"Factors":{"Treatment Group":"Healthy","Gender":"Female"},
"Additional sample data":{"Age":"26","BMI":"19.1"}
},
{
"Subject ID":"Subject008",
"Sample ID":"Sample008",
"Factors":{"Treatment Group":"Healthy","Gender":"Female"},
"Additional sample data":{"Age":"49","BMI":"26.4"}
},
{
"Subject ID":"Subject009",
"Sample ID":"Sample009",
"Factors":{"Treatment Group":"Healthy","Gender":"Female"},
"Additional sample data":{"Age":"31","BMI":"24.4"}
},
{
"Subject ID":"Subject010",
"Sample ID":"Sample010",
"Factors":{"Treatment Group":"Healthy","Gender":"Female"},
"Additional sample data":{"Age":"30","BMI":"19"}
},
{
"Subject ID":"Subject011",
"Sample ID":"Sample011",
"Factors":{"Treatment Group":"Healthy","Gender":"Female"},
"Additional sample data":{"Age":"38","BMI":"19.8"}
},
{
"Subject ID":"Subject012",
"Sample ID":"Sample012",
"Factors":{"Treatment Group":"Healthy","Gender":"Female"},
"Additional sample data":{"Age":"34","BMI":"19.7"}
},
{
"Subject ID":"Subject013",
"Sample ID":"Sample013",
"Factors":{"Treatment Group":"Healthy","Gender":"Female"},
"Additional sample data":{"Age":"27","BMI":"21.2"}
},
{
"Subject ID":"Subject014",
"Sample ID":"Sample014",
"Factors":{"Treatment Group":"Healthy","Gender":"Female"},
"Additional sample data":{"Age":"52","BMI":"26.3"}
},
{
"Subject ID":"Subject015",
"Sample ID":"Sample015",
"Factors":{"Treatment Group":"Healthy","Gender":"Female"},
"Additional sample data":{"Age":"52","BMI":"23.8"}
},
{
"Subject ID":"Subject016",
"Sample ID":"Sample016",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"30","BMI":"18.8"}
},
{
"Subject ID":"Subject017",
"Sample ID":"Sample017",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"54","BMI":"20.2"}
},
{
"Subject ID":"Subject018",
"Sample ID":"Sample018",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"23","BMI":"17.6"}
},
{
"Subject ID":"Subject019",
"Sample ID":"Sample019",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"18","BMI":"28.1"}
},
{
"Subject ID":"Subject020",
"Sample ID":"Sample020",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"25","BMI":"31"}
},
{
"Subject ID":"Subject021",
"Sample ID":"Sample021",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"60","BMI":"25.7"}
},
{
"Subject ID":"Subject022",
"Sample ID":"Sample022",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"28","BMI":"19"}
},
{
"Subject ID":"Subject023",
"Sample ID":"Sample023",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"30","BMI":"24.4"}
},
{
"Subject ID":"Subject024",
"Sample ID":"Sample024",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"41","BMI":"26.6"}
},
{
"Subject ID":"Subject025",
"Sample ID":"Sample025",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"25","BMI":"20.8"}
},
{
"Subject ID":"Subject026",
"Sample ID":"Sample026",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"19","BMI":"27.2"}
},
{
"Subject ID":"Subject027",
"Sample ID":"Sample027",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"43","BMI":"21.5"}
},
{
"Subject ID":"Subject028",
"Sample ID":"Sample028",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"30","BMI":"22.6"}
},
{
"Subject ID":"Subject029",
"Sample ID":"Sample029",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"30","BMI":"25.2"}
},
{
"Subject ID":"Subject030",
"Sample ID":"Sample030",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"39","BMI":"28.1"}
},
{
"Subject ID":"Subject031",
"Sample ID":"Sample031",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"29","BMI":"29"}
},
{
"Subject ID":"Subject032",
"Sample ID":"Sample032",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"23","BMI":"26"}
},
{
"Subject ID":"Subject033",
"Sample ID":"Sample033",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"46","BMI":"23.2"}
},
{
"Subject ID":"Subject034",
"Sample ID":"Sample034",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"39","BMI":"30.8"}
},
{
"Subject ID":"Subject035",
"Sample ID":"Sample035",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"23","BMI":"22.1"}
},
{
"Subject ID":"Subject036",
"Sample ID":"Sample036",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"29","BMI":"23.5"}
},
{
"Subject ID":"Subject037",
"Sample ID":"Sample037",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"31","BMI":"29.5"}
},
{
"Subject ID":"Subject038",
"Sample ID":"Sample038",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"42","BMI":"30.7"}
},
{
"Subject ID":"Subject039",
"Sample ID":"Sample039",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"30","BMI":"27.2"}
},
{
"Subject ID":"Subject040",
"Sample ID":"Sample040",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"24","BMI":"21.4"}
},
{
"Subject ID":"Subject041",
"Sample ID":"Sample041",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"45","BMI":"33.1"}
},
{
"Subject ID":"Subject042",
"Sample ID":"Sample042",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"38","BMI":"28.6"}
},
{
"Subject ID":"Subject043",
"Sample ID":"Sample043",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"58","BMI":"25.3"}
},
{
"Subject ID":"Subject044",
"Sample ID":"Sample044",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"34","BMI":"28.3"}
},
{
"Subject ID":"Subject045",
"Sample ID":"Sample045",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"52","BMI":"30"}
},
{
"Subject ID":"Subject046",
"Sample ID":"Sample046",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"27","BMI":"18.2"}
},
{
"Subject ID":"Subject047",
"Sample ID":"Sample047",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"44","BMI":"26.4"}
},
{
"Subject ID":"Subject048",
"Sample ID":"Sample048",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"52","BMI":"44.6"}
},
{
"Subject ID":"Subject049",
"Sample ID":"Sample049",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"56","BMI":"20.4"}
},
{
"Subject ID":"Subject050",
"Sample ID":"Sample050",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"20","BMI":"27.7"}
},
{
"Subject ID":"Subject051",
"Sample ID":"Sample051",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"20","BMI":"22.1"}
},
{
"Subject ID":"Subject052",
"Sample ID":"Sample052",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"32","BMI":"22.9"}
},
{
"Subject ID":"Subject053",
"Sample ID":"Sample053",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"24","BMI":"18.9"}
},
{
"Subject ID":"Subject054",
"Sample ID":"Sample054",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"52","BMI":"23.6"}
},
{
"Subject ID":"Subject055",
"Sample ID":"Sample055",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"44","BMI":"19.7"}
},
{
"Subject ID":"Subject056",
"Sample ID":"Sample056",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"46","BMI":"24.5"}
},
{
"Subject ID":"Subject057",
"Sample ID":"Sample057",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"23","BMI":"37.5"}
},
{
"Subject ID":"Subject058",
"Sample ID":"Sample058",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"21","BMI":"31.4"}
},
{
"Subject ID":"Subject059",
"Sample ID":"Sample059",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"12","BMI":"27.5"}
},
{
"Subject ID":"Subject060",
"Sample ID":"Sample060",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"17","BMI":"23.9"}
},
{
"Subject ID":"Subject061",
"Sample ID":"Sample061",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"36","BMI":"24.7"}
},
{
"Subject ID":"Subject062",
"Sample ID":"Sample062",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"33","BMI":"25.8"}
},
{
"Subject ID":"Subject063",
"Sample ID":"Sample063",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"44","BMI":"25.7"}
},
{
"Subject ID":"Subject064",
"Sample ID":"Sample064",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"32","BMI":"30.2"}
},
{
"Subject ID":"Subject065",
"Sample ID":"Sample065",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"29","BMI":"32.1"}
},
{
"Subject ID":"Subject066",
"Sample ID":"Sample066",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"46","BMI":"25.7"}
},
{
"Subject ID":"Subject067",
"Sample ID":"Sample067",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"19","BMI":"20.4"}
},
{
"Subject ID":"Subject068",
"Sample ID":"Sample068",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"43","BMI":"32.6"}
},
{
"Subject ID":"Subject069",
"Sample ID":"Sample069",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"43","BMI":"20.1"}
},
{
"Subject ID":"Subject070",
"Sample ID":"Sample070",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"25","BMI":"23"}
},
{
"Subject ID":"Subject071",
"Sample ID":"Sample071",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"52","BMI":"22.7"}
},
{
"Subject ID":"Subject072",
"Sample ID":"Sample072",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"23","BMI":"24.3"}
},
{
"Subject ID":"Subject073",
"Sample ID":"Sample073",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"21","BMI":"28.7"}
},
{
"Subject ID":"Subject074",
"Sample ID":"Sample074",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"36","BMI":"22"}
},
{
"Subject ID":"Subject075",
"Sample ID":"Sample075",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Male"},
"Additional sample data":{"Age":"26","BMI":"32.6"}
},
{
"Subject ID":"Subject076",
"Sample ID":"Sample076",
"Factors":{"Treatment Group":"Wilson disease","Gender":"Female"},
"Additional sample data":{"Age":"23","BMI":"23"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Plasma samples from patients with WD and healthy subjects were obtained from the Institute of Neurology and Psychiatry in Warsaw. Subjects fasted for 8 hours prior to sampling. Plasma samples were de-identified, shipped to the University of California, Davis and stored at -80°C until further analysis.","SAMPLE_TYPE":"Blood (plasma)","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"NA"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"All samples were removed from -80°C and allowed to thaw on ice. Of the 100-250 uL of plasma shipped to the facility for analysis, 30 µL of plasma was pipetted into a new 1.5 mL Eppendorf tube. 1 mL of 3:3:2 acetonitrile:isopropanol:water was added to each sample. Samples were vortexed for 10 seconds using a MiniVortexer. Samples were then shaken on an Orbital Mixing Chilling/Heating Plate for 5 minutes at 4°C. Samples were centrifuged for 2 minutes at 14,000 rcf used the centrifuge Eppendorf 5415 D. Two 475 µL aliquots were removed from the supernatant. Both samples were dried to complete using Labconco Centrivap cold trap. 500 µL of 50:50 acetonitrile was added to each aliquot of all samples. Samples were vortexed for 10 seconds using the MiniVortexer. Samples were centrifuged for 2 minutes at 14,000 rcf using the centrifuge Eppendorf 5415 D. 475 µL of supernatant was removed and evaporated to dryness using the Labconco Centrivap cold trap. One sample is submitted to derivitization, the other sample is saved for LC-MS analysis.","SAMPLE_DERIVATIZATION":"To the dried down samples, 10 µL of a prepared methoxyamine solution was added to each sample. Samples were shaken on an Orbital Mixing Chilling/Heating Plate at 30°C for 1.5 hours. 91 µL of a N-methyl-N-(trimethylsilyl)-trifluoroacetamide (MSTFA) and fatty-acid methyl-esters (FAMES) solution was added to each sample. Samples were shaken on an Orbital Mixing Chilling/Heating Plate at 37°C for 30 minutes. Contents were transferred to individual glass vials with micro-inserts and capped immediately. Submitted to GC-MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 6600 TripleTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"None"},

"MS_METABOLITE_DATA":{
"Units":"normalized peak height",

"Data":[{"Metabolite":"1_15N2-L-Arginine iSTD","Sample001":"4489","Sample002":"3831","Sample003":"4253","Sample004":"2785","Sample005":"2663","Sample006":"2525","Sample007":"3407","Sample008":"4513","Sample009":"4134","Sample010":"4698","Sample011":"3261","Sample012":"3065","Sample013":"4163","Sample014":"4060","Sample015":"4349","Sample016":"4218","Sample017":"3814","Sample018":"4311","Sample019":"4877","Sample020":"5611","Sample021":"5250","Sample022":"4582","Sample023":"4690","Sample024":"4426","Sample025":"6154","Sample026":"6706","Sample027":"4926","Sample028":"5044","Sample029":"3843","Sample030":"3686","Sample031":"4544","Sample032":"8942","Sample033":"3103","Sample034":"6036","Sample035":"4184","Sample036":"4107","Sample037":"4233","Sample038":"5068","Sample039":"4607","Sample040":"5379","Sample041":"4377","Sample042":"4423","Sample043":"6296","Sample044":"4147","Sample045":"5102","Sample046":"5100","Sample047":"4747","Sample048":"5528","Sample049":"4393","Sample050":"4835","Sample051":"4557","Sample052":"6091","Sample053":"4883","Sample054":"3931","Sample055":"6763","Sample056":"4547","Sample057":"5020","Sample058":"6281","Sample059":"5566","Sample060":"4412","Sample061":"4041","Sample062":"5510","Sample063":"5131","Sample064":"4325","Sample065":"4128","Sample066":"4429","Sample067":"4410","Sample068":"4933","Sample069":"4286","Sample070":"5654","Sample071":"4217","Sample072":"4614","Sample073":"4251","Sample074":"4087","Sample075":"3330","Sample076":"4409"},{"Metabolite":"1_CUDA iSTD","Sample001":"106079","Sample002":"130108","Sample003":"137570","Sample004":"49283","Sample005":"92930","Sample006":"100502","Sample007":"103988","Sample008":"122302","Sample009":"136104","Sample010":"141638","Sample011":"126192","Sample012":"109358","Sample013":"109641","Sample014":"139242","Sample015":"132560","Sample016":"114600","Sample017":"106529","Sample018":"113875","Sample019":"132882","Sample020":"102458","Sample021":"113926","Sample022":"139407","Sample023":"135858","Sample024":"152643","Sample025":"133891","Sample026":"126271","Sample027":"128970","Sample028":"159245","Sample029":"125292","Sample030":"130994","Sample031":"136948","Sample032":"131564","Sample033":"134438","Sample034":"140758","Sample035":"139988","Sample036":"118510","Sample037":"118752","Sample038":"147636","Sample039":"137682","Sample040":"124839","Sample041":"156681","Sample042":"139008","Sample043":"158462","Sample044":"153820","Sample045":"141370","Sample046":"139843","Sample047":"144161","Sample048":"172903","Sample049":"127244","Sample050":"117181","Sample051":"128373","Sample052":"158150","Sample053":"135930","Sample054":"137955","Sample055":"136044","Sample056":"134733","Sample057":"144004","Sample058":"145745","Sample059":"161347","Sample060":"161984","Sample061":"137189","Sample062":"138904","Sample063":"125890","Sample064":"134348","Sample065":"129297","Sample066":"102322","Sample067":"132361","Sample068":"120463","Sample069":"132931","Sample070":"136022","Sample071":"129910","Sample072":"118952","Sample073":"82037","Sample074":"115205","Sample075":"55172","Sample076":"125668"},{"Metabolite":"1_D3-1-Methylnicotinamide 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