{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003159","ANALYSIS_ID":"AN005181","VERSION":"1","CREATED_ON":"April 4, 2024, 10:08 am"},

"PROJECT":{"PROJECT_TITLE":"Untargeted serum metabolomics in the Parkinson''s Environment and Genes (PEG) Study","PROJECT_SUMMARY":"This project aims to evaluate the serum metabolome of Parkinson’s disease (PD) patients relative to unaffected controls in the Parkinson’s Environment and Genes (PEG) Study. Background: Untargeted high-resolution metabolomic profiling provides simultaneous measurement of thousands of metabolites. Metabolic networks based on these data can help uncover disease-related perturbations across interconnected pathways. Objective: Identify metabolic disturbances associated with PD in the PEG population-based study using untargeted metabolomics. Methods: We provide serum-based untargeted metabolomics data derived from liquid chromatography with high-resolution mass spectrometry (LC-HRMS). LC-HRMS detected 4,762 metabolites for analysis (HILIC: 2716 metabolites; C18: 2046 metabolites).","INSTITUTE":"University of California Los Angeles","DEPARTMENT":"Neurology","LAST_NAME":"Paul","FIRST_NAME":"Kimberly","ADDRESS":"710 Westwood Plaza, Los Angeles, CA, 90095, USA","EMAIL":"kimberlp@ucla.edu","PHONE":"310.206.7458","FUNDING_SOURCE":"National Institute of Environmental Health Sciences","PUBLICATIONS":"Paul, K. C., Zhang, K., Walker, D. I., Sinsheimer, J., Yu, Y., Kusters, C., ... & Ritz, B. (2023). Untargeted serum metabolomics reveals novel metabolite associations and disruptions in amino acid and lipid metabolism in Parkinson’s disease. Molecular Neurodegeneration, 18(1), 100.","CONTRIBUTORS":"Beate Ritz MD PhD, Dean P. Jones PhD, Kimberly C. Paul PhD, Jeff Bronstein PhD MD"},

"STUDY":{"STUDY_TITLE":"Untargeted serum metabolomics in the Parkinson''s Environment and Genes (PEG) Study","STUDY_SUMMARY":"This project aims to evaluate the serum metabolome of Parkinson’s disease (PD) patients relative to unaffected controls in the Parkinson’s Environment and Genes (PEG) Study. Background: Untargeted high-resolution metabolomic profiling provides simultaneous measurement of thousands of metabolites. Metabolic networks based on these data can help uncover disease-related perturbations across interconnected pathways. Objective: Identify metabolic disturbances associated with PD in the PEG population-based study using untargeted metabolomics. Methods: We provide serum-based untargeted metabolomics data derived from liquid chromatography with high-resolution mass spectrometry (LC-HRMS). LC-HRMS detected 4,762 metabolites for analysis (HILIC: 2716 metabolites; C18: 2046 metabolites).","INSTITUTE":"University of California, Los Angeles","DEPARTMENT":"Neurology","LAST_NAME":"Paul","FIRST_NAME":"Kimberly","ADDRESS":"710 Westwood Plaza, Los Angeles, CA, 90095, USA","EMAIL":"kimberlp@ucla.edu","PHONE":"310.206.7458","TOTAL_SUBJECTS":"919"},

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"Sample ID":"VT_200815_M394_044",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_050",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_062",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"1"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_068",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_080",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_104",
"Factors":{"Factor":"Control","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_116",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_122",
"Factors":{"Factor":"Control","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_128",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_146",
"Factors":{"Factor":"Control","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_170",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_182",
"Factors":{"Factor":"Control","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_188",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_194",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_200",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_206",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_218",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_224",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_230",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200815_M394_242",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"27","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_014",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_026",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_032",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_044",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_062",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_086",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_092",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_110",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_116",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_128",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_146",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_152",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_164",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_170",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_200",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_218",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_224",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_230",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_242",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"1"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200816_M394_248",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"28","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_014",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_026",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_032",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_050",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_056",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_068",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_074",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_104",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_110",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_128",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_146",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_152",
"Factors":{"Factor":"Control","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_164",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_182",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_188",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_194",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_206",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_218",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_230",
"Factors":{"Factor":"Control","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_248",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200817_M394_260",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"29","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_014",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_026",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_032",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_044",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_068",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_074",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_080",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_086",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_122",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"1"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_128",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_146",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_152",
"Factors":{"Factor":"Control","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_158",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_170",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_176",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_188",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_206",
"Factors":{"Factor":"Control","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_224",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_230",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"1"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_236",
"Factors":{"Factor":"PD","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_248",
"Factors":{"Factor":"Control","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"2"}
},
{
"Subject ID":"-",
"Sample ID":"VT_200819_M394_260",
"Factors":{"Factor":"Control","Sample source":"Serum"},
"Additional sample data":{"Batch":"30","Run":"2","Study_Wave":"1"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood samples were drawn from participants during field visits. Samples were centrifuged, kept on dry ice, and then stored in a −80 °C freezer at UCLA. Serum samples were shipped frozen to Emory University on dry ice for metabolomics analyses, where they were stored at −80 °C until LC-MS processing.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Samples are from participants of the PEG study, which is a population-based Parkinson''s disease case-control study from Central California"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Blood samples were drawn from participants during field visits. Samples were centrifuged, kept on dry ice, and then stored in a −80 °C freezer at UCLA. Serum samples were shipped frozen to Emory University on dry ice for metabolomics analyses, where they were stored at −80 °C until LC-MS analysis. High-Resolution Metabolomics (HRM) was conducted according to established methods at Emory University (Clincal Biomarkers Laboratory). See the attached SOP protocol. Methods related to the PEG study population and data processing are found in Study_Methods.pdf","SAMPLEPREP_PROTOCOL_FILENAME":"EmoryUniversity_HRM_SP_082016_01.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"The HILIC column is operated parallel to reverse phase column for simultaneous analytical separation and column flushing through the use of a dual head HPLC pump equipped with 10-port and 6-port switching valves. During operation of HILIC separation method, the MS is operated in positive ion mode and 10 microliters of sample is injected onto the HILIC column while the reverse phase column is flushing with wash solution. Flow rate is maintained at 0.35 mL/min until 1.5 min, increased to 0.4 mL/min at 4 min and held for 1 min. Solvent A is 100% LC-MS grade water, solvent B is 100% LC-MS grade acetonitrile and solvent C is 2% formic acid (v/v) in LC-MS grade water. Initial mobile phase conditions are 22.5% A, 75% B, 2.5% C hold for 1.5 min, with linear gradient to 77.5% A, 20% B, 2.5% C at 4 min, hold for 1 min, resulting in a total analytical run time of 5 min. During the flushing phase (reverse phase analytical separation), the HILIC column is equilibrated with a wash solution of 77.5% A, 20% B, 2.5% C.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"Waters XBridge BEH Amide (50 x 2.1mm,2.5um)","SOLVENT_A":"100% water","SOLVENT_B":"100% acetonitrile","FLOW_GRADIENT":"A= water, B= acetontrile, C= 2% formic acid in water; 22.5% A, 75% B, 2.5% C hold for 1.5 min, linear gradient to 77.5% A, 20% B, 2.5% C at 4 min, hold for 1 min","FLOW_RATE":"0.35 mL/min for 1.5 min; linear increase to 0.4 mL/min at 4 min, hold for 1 mi","COLUMN_TEMPERATURE":"60","METHODS_FILENAME":"EmoryUniversity_HRM-QEHF_chromatography_5min_092017_v1.pdf","SAMPLE_INJECTION":"10 uL","ANALYTICAL_TIME":"5 min"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"Study_Methods.pdf","ACQUISITION_PARAMETERS_FILE":"EmoryUniversity_HRM_QEHF-MassSpec_092017_v1.pdf","PROCESSING_PARAMETERS_FILE":"EmoryUniversity_SOP_DataAnalysis_092017_v1.pdf"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"See attached files","CAPILLARY_TEMPERATURE":"250C","COLLISION_GAS":"N2","DRY_GAS_FLOW":"45","DRY_GAS_TEMP":"150C","MASS_ACCURACY":"< 3ppm","SPRAY_VOLTAGE":"3500","ACTIVATION_PARAMETER":"5.00E+05","ACTIVATION_TIME":"118ms","INTERFACE_VOLTAGE":"S-Lens RF level= 55","MS_RESULTS_FILE":"ST003159_AN005181_Results.txt UNITS:log2 transformed intensity Has m/z:Yes Has RT:Yes RT units:Seconds"}

}