{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001131","ANALYSIS_ID":"AN001856","VERSION":"1","CREATED_ON":"February 6, 2019, 9:52 am"},

"PROJECT":{"PROJECT_TITLE":"Untargeted GC-MS Analysis in human serum from trauma and healthy patients.","PROJECT_SUMMARY":"Untargeted GC-MS analysis was used to analysis the serum from 6 trauma patients and 6 healthy control patients. This project aims to identify metabolic differences between the two groups.","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"451 East Health Science Drive","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258"},

"STUDY":{"STUDY_TITLE":"Presentation of different serum metabolites in trauma patients versus healthy volunteers.","STUDY_SUMMARY":"This study seeks to identify critical metabolic differences between patients who have undergone physical trauma and patients who have not experienced physical trauma.","INSTITUTE":"Texas Tech University","DEPARTMENT":"University Health Sciences Center","LAST_NAME":"Mudaliar","FIRST_NAME":"Nithya","ADDRESS":"3601 4th St, Lubbock, TX 79430","EMAIL":"nithya.s.mudaliar@ttuhsc.edu","PHONE":"8067436794","NUM_GROUPS":"2","TOTAL_SUBJECTS":"12"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"HV1_001",
"Factors":{"Treatment":"Healthy"},
"Additional sample data":{"Tissue Type":"Serum"}
},
{
"Subject ID":"-",
"Sample ID":"HV2_002",
"Factors":{"Treatment":"Healthy"},
"Additional sample data":{"Tissue Type":"Serum"}
},
{
"Subject ID":"-",
"Sample ID":"HV7_003",
"Factors":{"Treatment":"Healthy"},
"Additional sample data":{"Tissue Type":"Serum"}
},
{
"Subject ID":"-",
"Sample ID":"HV13_004",
"Factors":{"Treatment":"Healthy"},
"Additional sample data":{"Tissue Type":"Serum"}
},
{
"Subject ID":"-",
"Sample ID":"HV22_005",
"Factors":{"Treatment":"Healthy"},
"Additional sample data":{"Tissue Type":"Serum"}
},
{
"Subject ID":"-",
"Sample ID":"HV27_006",
"Factors":{"Treatment":"Healthy"},
"Additional sample data":{"Tissue Type":"Serum"}
},
{
"Subject ID":"-",
"Sample ID":"TP3_007",
"Factors":{"Treatment":"Trauma"},
"Additional sample data":{"Tissue Type":"Serum"}
},
{
"Subject ID":"-",
"Sample ID":"TP7_008",
"Factors":{"Treatment":"Trauma"},
"Additional sample data":{"Tissue Type":"Serum"}
},
{
"Subject ID":"-",
"Sample ID":"TP12_009",
"Factors":{"Treatment":"Trauma"},
"Additional sample data":{"Tissue Type":"Serum"}
},
{
"Subject ID":"-",
"Sample ID":"TP15_010",
"Factors":{"Treatment":"Trauma"},
"Additional sample data":{"Tissue Type":"Serum"}
},
{
"Subject ID":"-",
"Sample ID":"TP17_011",
"Factors":{"Treatment":"Trauma"},
"Additional sample data":{"Tissue Type":"Serum"}
},
{
"Subject ID":"-",
"Sample ID":"TP19_012",
"Factors":{"Treatment":"Trauma"},
"Additional sample data":{"Tissue Type":"Serum"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Serum samples were collected from each human after exposure to each treatment group. Samples were snap frozen and shipped to the WCMC on dry ice. Upon arrival, samples were placed in a -80°C freezer.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Samples were collected from patients who had undergone some type of physical trauma. This group consisted of six patients. Serum samples from six patients who had not experienced physical trauma, were considered health, and were of similar characteristics to the patients in the trauma group. Overall, 12 samples were collected from 2 groups of patients, comprised of six patients each."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"All extraction procedures are performed over crushed ice. Samples were defrosted over crushed ice for 30 minutes or until defrosted. 30 µL of serum was aliquoted from the original sample into a 1.5 mL Eppendorf tube. 1 mL of 3:3:2 ACN:IPA:Water was added to each sample. Samples were vortexed for 10 seconds. Samples were shaken for 6 minutes at 4°C using an orbital mixing plate. Samples were centrifuged for 2 minutes at 14,000 rcf. 2 aliquots of 475 µL were removed from the supernatant and placed into new 1.5 mL Eppendorf tubes. 1 sample is frozen at -20°C and saved as a backup. The other sample is dried to completeness using a Labconco Centrivap.","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":"GC","INSTRUMENT_NAME":"Agilent 7890A","COLUMN_NAME":"Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um)","FLOW_RATE":"1 mL min^(-1)","COLUMN_TEMPERATURE":"50-330°C","INJECTION_TEMPERATURE":"50°C ramped to 250°C by 12°C s-1","OVEN_TEMPERATURE":"50°C for 1 min, then ramped at 20°C min-1 to 330°C, held constant for 5 min"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","DATA_FORMAT":".cdf"},

"MS":{"INSTRUMENT_NAME":"Leco Pegasus III GC TOF","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"N/A","ION_SOURCE_TEMPERATURE":"250°C","IONIZATION_ENERGY":"-70 eV","RESOLUTION_SETTING":"17 spectra s-1"},

"MS_METABOLITE_DATA":{
"Units":"Peak Height",

"Data":[{"Metabolite":"xylulose NIST","HV1_001":"171","HV13_004":"83","HV2_002":"224","HV22_005":"127","HV27_006":"164","HV7_003":"239","TP12_009":"158","TP15_010":"187","TP17_011":"201","TP19_012":"240","TP3_007":"185","TP7_008":"97"},{"Metabolite":"xylitol","HV1_001":"147","HV13_004":"279","HV2_002":"225","HV22_005":"210","HV27_006":"285","HV7_003":"281","TP12_009":"363","TP15_010":"408","TP17_011":"318","TP19_012":"351","TP3_007":"242","TP7_008":"669"},{"Metabolite":"valine","HV1_001":"139241","HV13_004":"70566","HV2_002":"113626","HV22_005":"153220","HV27_006":"111382","HV7_003":"75796","TP12_009":"46580","TP15_010":"114195","TP17_011":"145273","TP19_012":"104205","TP3_007":"57462","TP7_008":"127134"},{"Metabolite":"uridine","HV1_001":"254","HV13_004":"327","HV2_002":"376","HV22_005":"244","HV27_006":"303","HV7_003":"506","TP12_009":"191","TP15_010":"229","TP17_011":"296","TP19_012":"391","TP3_007":"133","TP7_008":"330"},{"Metabolite":"uric acid","HV1_001":"8982","HV13_004":"15770","HV2_002":"12414","HV22_005":"14026","HV27_006":"20518","HV7_003":"14607","TP12_009":"23696","TP15_010":"6153","TP17_011":"11044","TP19_012":"19329","TP3_007":"2574","TP7_008":"1633"},{"Metabolite":"urea","HV1_001":"382241","HV13_004":"379070","HV2_002":"61841","HV22_005":"443588","HV27_006":"470502","HV7_003":"402560","TP12_009":"314828","TP15_010":"277241","TP17_011":"102563","TP19_012":"387525","TP3_007":"182138","TP7_008":"370059"},{"Metabolite":"UDP-glucuronic acid","HV1_001":"116","HV13_004":"190","HV2_002":"268","HV22_005":"232","HV27_006":"125","HV7_003":"394","TP12_009":"426","TP15_010":"404","TP17_011":"364","TP19_012":"1599","TP3_007":"278","TP7_008":"893"},{"Metabolite":"tyrosine","HV1_001":"37912","HV13_004":"42556","HV2_002":"30713","HV22_005":"41188","HV27_006":"25794","HV7_003":"49412","TP12_009":"16528","TP15_010":"48959","TP17_011":"27677","TP19_012":"41494","TP3_007":"28312","TP7_008":"41171"},{"Metabolite":"tryptophan","HV1_001":"39435","HV13_004":"37822","HV2_002":"26839","HV22_005":"41561","HV27_006":"39962","HV7_003":"32135","TP12_009":"10717","TP15_010":"23591","TP17_011":"22533","TP19_012":"31490","TP3_007":"21803","TP7_008":"20710"},{"Metabolite":"trehalose","HV1_001":"199","HV13_004":"214","HV2_002":"238","HV22_005":"201","HV27_006":"192","HV7_003":"193","TP12_009":"299","TP15_010":"283","TP17_011":"229","TP19_012":"166","TP3_007":"554","TP7_008":"179"},{"Metabolite":"trans-4-hydroxyproline","HV1_001":"3204","HV13_004":"2311","HV2_002":"4282","HV22_005":"4580","HV27_006":"1932","HV7_003":"4907","TP12_009":"1999","TP15_010":"3550","TP17_011":"1851","TP19_012":"3820","TP3_007":"2891","TP7_008":"5615"},{"Metabolite":"tocopherol 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acid","HV1_001":"764","HV13_004":"656","HV2_002":"1041","HV22_005":"947","HV27_006":"744","HV7_003":"1712","TP12_009":"1010","TP15_010":"428","TP17_011":"154","TP19_012":"859","TP3_007":"704","TP7_008":"206"},{"Metabolite":"threitol","HV1_001":"215","HV13_004":"260","HV2_002":"237","HV22_005":"382","HV27_006":"210","HV7_003":"383","TP12_009":"244","TP15_010":"157","TP17_011":"218","TP19_012":"182","TP3_007":"205","TP7_008":"157"},{"Metabolite":"taurine","HV1_001":"2014","HV13_004":"1713","HV2_002":"2652","HV22_005":"1446","HV27_006":"1477","HV7_003":"1220","TP12_009":"358","TP15_010":"481","TP17_011":"406","TP19_012":"1414","TP3_007":"190","TP7_008":"470"},{"Metabolite":"sucrose","HV1_001":"153","HV13_004":"212","HV2_002":"138","HV22_005":"242","HV27_006":"170","HV7_003":"972","TP12_009":"82","TP15_010":"334","TP17_011":"51","TP19_012":"60","TP3_007":"152","TP7_008":"187"},{"Metabolite":"succinic acid","HV1_001":"1624","HV13_004":"915","HV2_002":"818","HV22_005":"403","HV27_006":"1124","HV7_003":"1211","TP12_009":"489","TP15_010":"448","TP17_011":"1108","TP19_012":"644","TP3_007":"619","TP7_008":"931"},{"Metabolite":"stearic acid","HV1_001":"133050","HV13_004":"113626","HV2_002":"101107","HV22_005":"86424","HV27_006":"128066","HV7_003":"151034","TP12_009":"111234","TP15_010":"125017","TP17_011":"104873","TP19_012":"95161","TP3_007":"67248","TP7_008":"93403"},{"Metabolite":"squalene","HV1_001":"2622","HV13_004":"576","HV2_002":"649","HV22_005":"387","HV27_006":"415","HV7_003":"981","TP12_009":"154","TP15_010":"194","TP17_011":"332","TP19_012":"245","TP3_007":"153","TP7_008":"263"},{"Metabolite":"shikimic 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uridine","HV1_001":"633","HV13_004":"764","HV2_002":"616","HV22_005":"627","HV27_006":"672","HV7_003":"633","TP12_009":"1247","TP15_010":"591","TP17_011":"638","TP19_012":"680","TP3_007":"412","TP7_008":"169"},{"Metabolite":"proline","HV1_001":"76437","HV13_004":"60157","HV2_002":"80127","HV22_005":"85226","HV27_006":"61200","HV7_003":"62902","TP12_009":"9539","TP15_010":"32581","TP17_011":"60121","TP19_012":"33717","TP3_007":"13177","TP7_008":"32429"},{"Metabolite":"piperidone","HV1_001":"112","HV13_004":"123","HV2_002":"175","HV22_005":"162","HV27_006":"120","HV7_003":"870","TP12_009":"62","TP15_010":"177","TP17_011":"261","TP19_012":"377","TP3_007":"59","TP7_008":"104"},{"Metabolite":"pipecolinic acid","HV1_001":"193","HV13_004":"193","HV2_002":"226","HV22_005":"1164","HV27_006":"320","HV7_003":"260","TP12_009":"113","TP15_010":"220","TP17_011":"807","TP19_012":"227","TP3_007":"124","TP7_008":"402"},{"Metabolite":"phthalic 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}

}