{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001690","ANALYSIS_ID":"AN002760","VERSION":"1","CREATED_ON":"February 11, 2021, 1:00 pm"},

"PROJECT":{"PROJECT_TITLE":"Parallel multi-omics in high-risk subjects for the identification of integrated biomarker signatures of type 1 diabetes","PROJECT_TYPE":"Untargeted metabolomics: MS qualitative analysis","PROJECT_SUMMARY":"MS qualitative analysis of human blood samples to identify early-identification biomarkers for type 1 diabetes","INSTITUTE":"Duke University","DEPARTMENT":"Duke Molecular Physiology Institute, School of Medicine","LABORATORY":"Metabolomics","LAST_NAME":"Bain","FIRST_NAME":"James","ADDRESS":"300 N Duke Street, Durham, NC, 27701, USA","EMAIL":"james.bain@duke.edu","PHONE":"919 479 2320","FUNDING_SOURCE":"NIH, NIDDK","PROJECT_COMMENTS":"This data represents the untargeted metabolomic analysis of the samples","CONTRIBUTORS":"O. Alcazar, L.F. Hernandez, E.S. Nakayasu, C. Ansong, C.D. Nicora, C. Ansong, M.J. Muehlbauer, J.R. Bain, C.J. Myer, S.J. Bhattacharya, P. Buchwald, and M.H. Abdulreda"},

"STUDY":{"STUDY_TITLE":"Untargeted metabolomic analysis of human blood samples via qualitative GC-MS for T1D biomarker identification","STUDY_TYPE":"Qualitative GC-MS biomarker identification","STUDY_SUMMARY":"Blood from human subjects at high risk for T1D (and healthy controls; n=4 each) were subjected to parallel unlabeled proteomics, metabolomics, lipidomics, and transcriptomics. The integrated dataset was analyzed using Ingenuity Pathway Analysis (IPA) software for disturbances in the at-risk subjects compared to the controls. The final quadra-omics dataset contained 2292 proteins, 328 miRNAs, 75 metabolites, and 41 lipids that were detected in all samples. Disease/function enrichment analyses consistently indicated increased activation, proliferation, and migration of immune cells, particularly, CD4 T-lymphocytes and macrophages. Integrated molecular network predictions highlighted central involvement and activation of NF-κB, TGF-β, VEGF, arachidonic acid, and arginase, and inhibition of miRNA Let-7a-5p. Parallel multi-omics provided a comprehensive picture of disturbances in high-risk T1D subjects and helped identify an associated integrated biomarker signature, which could ultimately facilitate the classification of T1D progressors from non-progressors.","INSTITUTE":"Duke University","DEPARTMENT":"Duke Molecular Physiology Institute, School of Medicine","LABORATORY":"Metabolomics","LAST_NAME":"Bain","FIRST_NAME":"James","ADDRESS":"300 N Duke St, Durham, NC, 27701, USA","EMAIL":"james.bain@duke.edu","PHONE":"919 479 2320","TOTAL_SUBJECTS":"9"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"140365",
"Sample ID":"1",
"Factors":{"Condition":"High-risk T1D"},
"Additional sample data":{"RAW_FILE_NAME":"Miami-01"}
},
{
"Subject ID":"2019 0605 TL",
"Sample ID":"2",
"Factors":{"Condition":"Healthy control"},
"Additional sample data":{"RAW_FILE_NAME":"Miami-02"}
},
{
"Subject ID":"467191",
"Sample ID":"3",
"Factors":{"Condition":"New-onset (post-prandial)"},
"Additional sample data":{"RAW_FILE_NAME":"Miami-03"}
},
{
"Subject ID":"467191 small",
"Sample ID":"4",
"Factors":{"Condition":"New-onset (fasting)"},
"Additional sample data":{"RAW_FILE_NAME":"Miami-04"}
},
{
"Subject ID":"145569",
"Sample ID":"5",
"Factors":{"Condition":"High-risk T1D"},
"Additional sample data":{"RAW_FILE_NAME":"Miami-05"}
},
{
"Subject ID":"2019 0605 BH",
"Sample ID":"6",
"Factors":{"Condition":"Healthy control"},
"Additional sample data":{"RAW_FILE_NAME":"Miami-06"}
},
{
"Subject ID":"2019 0605 YM",
"Sample ID":"7",
"Factors":{"Condition":"Healthy control"},
"Additional sample data":{"RAW_FILE_NAME":"Miami-07"}
},
{
"Subject ID":"245361",
"Sample ID":"8",
"Factors":{"Condition":"High-risk T1D"},
"Additional sample data":{"RAW_FILE_NAME":"Miami-08"}
},
{
"Subject ID":"2019 0605 MG",
"Sample ID":"9",
"Factors":{"Condition":"Healthy control"},
"Additional sample data":{"RAW_FILE_NAME":"Miami-09"}
},
{
"Subject ID":"Blank",
"Sample ID":"Ghost (blank)",
"Factors":{"Condition":"Process blank"},
"Additional sample data":{"RAW_FILE_NAME":"Ghost"}
},
{
"Subject ID":"-",
"Sample ID":"RT",
"Factors":{"Condition":"-"},
"Additional sample data":{"RAW_FILE_NAME":"-"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood samples (~20 mL/subject in EDTA) were collected from consented male/female subjects considered at high risk for T1D during routine visits as part of the ongoing TrialNet’s Natural History Study of the Development of Type 1 Diabetes (Pathway to Prevention Study) TN-01 study (n=4).","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Subjects in the TN-01 study are tested semi-annually for the appearance of new or additional autoantibodies and are evaluated metabolically by oral glucose tolerance test (OGTT) to assess their progression toward clinical diagnosis of T1D. Samples from healthy subjects (n=4) were collected as part of another study approved by the IRB of the University of Miami (study number 11995-115). These trials are conducted in accordance with the principles of the Declaration of Helsinki and consistent with the Good Clinical Practice guidelines of the International Conference on Harmonization. The protocol for the ancillary study, under which the current multi-omics analyses were performed, was approved by TrialNet (study ID number 195) and its IRB. The four high-risk subjects in the present report were staged for their risk level according to the TrialNet staging/scoring system, which considers family history, genetic susceptibility according to haplotype (e.g., HLA-DQ/DR), the number of autoantibodies, and OGTT results as follows: low-risk (1 autoantibody and normal OGTT); moderate-risk (2–3 autoantibodies and normal OGTT); high-risk (4–5 autoantibodies and normal OGTT); and very high-risk (4–5 autoantibodies and abnormal OGTT)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"See uploaded protocol","SAMPLEPREP_PROTOCOL_FILENAME":"Toadpup1956_20210209_120248_PR_SP_PlasmaPrep_non-targeted_MBX.pdf","SAMPLEPREP_PROTOCOL_COMMENTS":"Please treat these as confidential disclosures of in-house sample prep."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 6890N","COLUMN_NAME":"Agilent DB5-MS (30m x 0.25mm, 0.25um)","METHODS_FILENAME":"Toadpup1956_20210209_120248_PR_MS_Data_acquisition_protocol.pdf"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"Toadpup1956_20210209_120248_PR_MS_Data_acquisition_protocol.pdf"},

"MS":{"INSTRUMENT_NAME":"Agilent 5975B","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"Acquired using Agilent MassHunter Acquisition software. Feature assignment completed using AMDIS Analysis."},

"MS_METABOLITE_DATA":{
"Units":"minutes",

"Data":[{"Metabolite":"Pyruvic acid","1":"19.27","2":"19.15","3":"19.59","4":"18.76","5":"19.9","6":"16.12","7":"17.73","8":"19.6","9":"19.84","Ghost (blank)":""},{"Metabolite":"Lactic acid","1":"24.4","2":"24.13","3":"24.25","4":"24.19","5":"25.32","6":"24.29","7":"23.6","8":"24.49","9":"24.82","Ghost (blank)":"12.83"},{"Metabolite":"2-Hydroxyisobutyric acid","1":"13.26","2":"13.58","3":"","4":"","5":"","6":"12.91","7":"","8":"","9":"","Ghost (blank)":""},{"Metabolite":"Glycolic acid","1":"","2":"16.69","3":"15.34","4":"16.95","5":"17.57","6":"17.16","7":"15.46","8":"","9":"16.65","Ghost (blank)":""},{"Metabolite":"3-Methyl pyruvic acid","1":"","2":"","3":"13","4":"","5":"11.28","6":"","7":"","8":"","9":"","Ghost (blank)":""},{"Metabolite":"Alanine","1":"20.26","2":"21.12","3":"20.13","4":"20.85","5":"20.9","6":"20.9","7":"21.04","8":"20.41","9":"20.73","Ghost (blank)":""},{"Metabolite":"2-Ketovaline","1":"15.6","2":"14.05","3":"15.48","4":"15.65","5":"15.46","6":"14.26","7":"14.84","8":"14.33","9":"14.76","Ghost (blank)":""},{"Metabolite":"2-Hydroxybutyric acid","1":"17.6","2":"18.17","3":"18.92","4":"18.3","5":"19.33","6":"19.08","7":"18.57","8":"18.49","9":"19.33","Ghost (blank)":""},{"Metabolite":"P-Cresol","1":"","2":"","3":"","4":"13.56","5":"11.85","6":"13.46","7":"12.12","8":"13.36","9":"12.07","Ghost (blank)":""},{"Metabolite":"Leucine","1":"17.29","2":"17.49","3":"17.49","4":"17.6","5":"17.93","6":"17.52","7":"18.07","8":"17.53","9":"16.85","Ghost (blank)":""},{"Metabolite":"3-Hydroxybutyric acid","1":"18.74","2":"19.55","3":"19.25","4":"18.93","5":"20.34","6":"21.96","7":"18.92","8":"19.94","9":"17.72","Ghost (blank)":""},{"Metabolite":"2-Hydroxyvaleric acid","1":"14.66","2":"16.87","3":"14.72","4":"16.52","5":"16.32","6":"15.29","7":"15.13","8":"14.08","9":"15.14","Ghost (blank)":""},{"Metabolite":"N-Methylalanine/2-Aminobutanoic acid","1":"14.62","2":"16.1","3":"15.09","4":"15.35","5":"16.45","6":"16.02","7":"15.76","8":"17.48","9":"15.21","Ghost (blank)":""},{"Metabolite":"2-Ketoleucine/ketoisoleucine","1":"17.22","2":"15.55","3":"16.87","4":"17.03","5":"16.97","6":"16.78","7":"16.22","8":"17.02","9":"16.96","Ghost (blank)":""},{"Metabolite":"Valine","1":"18.53","2":"20.28","3":"18.78","4":"20.15","5":"20.39","6":"19.47","7":"19.59","8":"19.83","9":"18.98","Ghost (blank)":""},{"Metabolite":"Urea","1":"25.05","2":"26.03","3":"25.25","4":"26.2","5":"26.22","6":"25.5","7":"25.6","8":"25.73","9":"25.4","Ghost (blank)":""},{"Metabolite":"Caprylic acid","1":"15.42","2":"16.97","3":"13","4":"15.75","5":"15.4","6":"15.18","7":"16.63","8":"16.9","9":"14.43","Ghost (blank)":""},{"Metabolite":"Ethanolamine","1":"14.17","2":"13.67","3":"14.8","4":"15.09","5":"15.06","6":"15.5","7":"16.63","8":"17.59","9":"14.8","Ghost (blank)":""},{"Metabolite":"Phosphoric acid","1":"23.93","2":"24.92","3":"24.59","4":"25.03","5":"25.41","6":"25.29","7":"24.29","8":"24.65","9":"25.07","Ghost (blank)":"20.07"},{"Metabolite":"Glycerol","1":"21.39","2":"20.95","3":"23.12","4":"","5":"23.4","6":"23.36","7":"24.29","8":"23.97","9":"21.25","Ghost (blank)":"18.21"},{"Metabolite":"Isoleucine/Leucine","1":"16.83","2":"18.11","3":"17.45","4":"17.86","5":"19.46","6":"18.28","7":"16.91","8":"16.75","9":"16.41","Ghost (blank)":""},{"Metabolite":"Proline","1":"18.54","2":"19.97","3":"17.49","4":"18.55","5":"20.2","6":"19.24","7":"17.65","8":"17.16","9":"16.62","Ghost (blank)":""},{"Metabolite":"Glycine","1":"18.96","2":"18.69","3":"19.63","4":"19.34","5":"20.44","6":"20.85","7":"19.88","8":"20.88","9":"20.06","Ghost (blank)":""},{"Metabolite":"Succinic acid","1":"","2":"","3":"","4":"16.79","5":"16.78","6":"19.06","7":"","8":"16.46","9":"","Ghost (blank)":""},{"Metabolite":"Maleic acid","1":"15","2":"15.77","3":"","4":"","5":"16","6":"15.8","7":"13.3","8":"","9":"15.97","Ghost (blank)":""},{"Metabolite":"Glyceric acid","1":"15.72","2":"17.13","3":"16.36","4":"17.89","5":"17.09","6":"18.28","7":"17.08","8":"17.32","9":"17.57","Ghost (blank)":""},{"Metabolite":"Uracil","1":"","2":"","3":"","4":"","5":"","6":"12.91","7":"","8":"11.32","9":"","Ghost (blank)":""},{"Metabolite":"Fumaric acid","1":"","2":"","3":"","4":"11.93","5":"13.24","6":"11.79","7":"","8":"","9":"12.62","Ghost (blank)":""},{"Metabolite":"Serine","1":"17.69","2":"19.91","3":"18.1","4":"19.02","5":"20.44","6":"20.48","7":"15.95","8":"17.47","9":"18.43","Ghost (blank)":""},{"Metabolite":"Pelargonic acid","1":"11.28","2":"13.06","3":"","4":"","5":"12.32","6":"13.77","7":"12.2","8":"","9":"13.22","Ghost (blank)":""},{"Metabolite":"Threonine","1":"18.95","2":"21.51","3":"18.89","4":"20.06","5":"21.44","6":"20.69","7":"17.36","8":"18.03","9":"19.26","Ghost (blank)":""},{"Metabolite":"beta-Alanine","1":"","2":"10.99","3":"","4":"","5":"11.93","6":"","7":"12.57","8":"12.74","9":"11.17","Ghost (blank)":""},{"Metabolite":"Capric acid","1":"14.59","2":"11.4","3":"12.52","4":"12.96","5":"13.39","6":"14.32","7":"15.65","8":"15.05","9":"","Ghost (blank)":""},{"Metabolite":"Aminomalonic acid","1":"17.73","2":"19.9","3":"","4":"19.68","5":"20.65","6":"20.57","7":"17.64","8":"","9":"20.12","Ghost (blank)":""},{"Metabolite":"Malic acid","1":"13.36","2":"15.54","3":"","4":"16.58","5":"16.87","6":"17.74","7":"14.3","8":"15.66","9":"15.57","Ghost (blank)":""},{"Metabolite":"Threitol/Erythritol","1":"16.11","2":"17.92","3":"16.24","4":"16.98","5":"17.39","6":"16.81","7":"15.71","8":"16.49","9":"16.69","Ghost (blank)":""},{"Metabolite":"Aspartic acid","1":"13.3","2":"15.96","3":"13.56","4":"15.24","5":"16.14","6":"15.35","7":"13.01","8":"13.78","9":"14.41","Ghost (blank)":""},{"Metabolite":"3-Methyloxyindole","1":"","2":"15.85","3":"","4":"","5":"17.4","6":"","7":"","8":"","9":"","Ghost (blank)":""},{"Metabolite":"Methionine","1":"15.81","2":"17.41","3":"15.46","4":"16.73","5":"17.85","6":"17.05","7":"13.66","8":"15.84","9":"16.04","Ghost (blank)":""},{"Metabolite":"Hydroxyprolines","1":"16.04","2":"16.57","3":"16.28","4":"16.49","5":"19.59","6":"16.29","7":"13.77","8":"15.74","9":"16.84","Ghost (blank)":""},{"Metabolite":"Erythronic acid","1":"14.11","2":"16.01","3":"14.95","4":"16.35","5":"16.56","6":"16.68","7":"15","8":"15.66","9":"16.23","Ghost (blank)":""},{"Metabolite":"Threonic acid","1":"17.36","2":"18.43","3":"17.88","4":"18.98","5":"","6":"19.03","7":"17.48","8":"17.78","9":"18.46","Ghost (blank)":""},{"Metabolite":"Oxoglutaric acid","1":"15.79","2":"","3":"","4":"17.65","5":"18.43","6":"17","7":"","8":"","9":"13.88","Ghost (blank)":""},{"Metabolite":"Glutamic acid","1":"19.33","2":"18.53","3":"17.58","4":"20.63","5":"21.72","6":"22.02","7":"17.96","8":"18.45","9":"19.52","Ghost (blank)":""},{"Metabolite":"3-Hydroxymethylglutaricacid","1":"","2":"","3":"","4":"19.04","5":"","6":"19.69","7":"","8":"","9":"","Ghost (blank)":""},{"Metabolite":"Phenylalanine","1":"18.83","2":"20.28","3":"19.28","4":"20.19","5":"20.8","6":"20.26","7":"19.12","8":"19.46","9":"19.23","Ghost (blank)":""},{"Metabolite":"Lauric acid","1":"15.65","2":"13.94","3":"16.6","4":"14.72","5":"16.19","6":"17.14","7":"16.29","8":"17.45","9":"","Ghost (blank)":""},{"Metabolite":"Aldopentoses","1":"12.92","2":"14.46","3":"13.41","4":"12.77","5":"12.15","6":"14.67","7":"14.89","8":"14.96","9":"13.87","Ghost (blank)":""},{"Metabolite":"Pyrophosphate","1":"14.72","2":"16.08","3":"16.78","4":"16.81","5":"16.93","6":"17.58","7":"16.83","8":"16.89","9":"17.92","Ghost (blank)":""},{"Metabolite":"Asparagine","1":"16.65","2":"18.21","3":"17.45","4":"17.68","5":"18.8","6":"18.57","7":"16.53","8":"17.33","9":"17.59","Ghost (blank)":""},{"Metabolite":"Pentitols","1":"14.74","2":"17.11","3":"15.01","4":"16.19","5":"16.33","6":"15.69","7":"15.06","8":"15.58","9":"15.46","Ghost (blank)":""},{"Metabolite":"6-Deoxyhexose","1":"13.78","2":"12.78","3":"13.13","4":"12.54","5":"14.44","6":"12.79","7":"13.69","8":"14.08","9":"","Ghost (blank)":""},{"Metabolite":"sn-Glycero-3-phosphate","1":"11.94","2":"16.47","3":"","4":"16.89","5":"16.56","6":"17.71","7":"13.41","8":"14.84","9":"15.35","Ghost (blank)":""},{"Metabolite":"Gentisic acid","1":"","2":"","3":"12.03","4":"","5":"","6":"13.17","7":"","8":"","9":"","Ghost (blank)":""},{"Metabolite":"Pentonic acids","1":"","2":"13.17","3":"","4":"13.75","5":"","6":"11.59","7":"13.74","8":"14.04","9":"11.7","Ghost (blank)":""},{"Metabolite":"Glutamine","1":"19.7","2":"21.55","3":"20.56","4":"21.88","5":"21.94","6":"21.39","7":"19.52","8":"20.49","9":"21.49","Ghost (blank)":""},{"Metabolite":"Phosphoethanolamine","1":"","2":"","3":"","4":"","5":"","6":"12.9","7":"15.11","8":"14.77","9":"","Ghost (blank)":""},{"Metabolite":"3-Phosphoglyceric acid","1":"","2":"","3":"16.23","4":"","5":"16.99","6":"","7":"","8":"14.79","9":"","Ghost (blank)":""},{"Metabolite":"Shikimic acid","1":"15.75","2":"16.27","3":"16.23","4":"15.48","5":"17.21","6":"16.57","7":"14.38","8":"","9":"17.76","Ghost (blank)":""},{"Metabolite":"Hippuric acid","1":"","2":"","3":"","4":"","5":"","6":"13.01","7":"","8":"","9":"14.43","Ghost (blank)":""},{"Metabolite":"3-Methylhistidine","1":"","2":"","3":"","4":"11.81","5":"13.32","6":"","7":"","8":"","9":"","Ghost (blank)":""},{"Metabolite":"Hypoxanthine","1":"14.14","2":"15.5","3":"13.48","4":"","5":"10.42","6":"14.37","7":"15.11","8":"14.48","9":"15.37","Ghost (blank)":""},{"Metabolite":"Citric acid/isocitric acid","1":"19.59","2":"21.26","3":"20.5","4":"21.05","5":"22.38","6":"22","7":"19.63","8":"20.99","9":"21.15","Ghost (blank)":""},{"Metabolite":"Ornithine","1":"18.4","2":"18.81","3":"18.47","4":"18.62","5":"19.9","6":"19.3","7":"19.63","8":"19.18","9":"18.77","Ghost (blank)":""},{"Metabolite":"Arginine/Citrulline","1":"","2":"","3":"","4":"","5":"12.4","6":"12.93","7":"","8":"","9":"12.1","Ghost (blank)":""},{"Metabolite":"1,5-Anhydrosorbitol","1":"22.01","2":"21.46","3":"21.09","4":"22.36","5":"22.51","6":"22.43","7":"21.13","8":"22.22","9":"21.44","Ghost (blank)":""},{"Metabolite":"Myristic acid","1":"17.29","2":"15.51","3":"19.02","4":"15.87","5":"16.78","6":"16.95","7":"17.2","8":"19.72","9":"14.45","Ghost (blank)":"12.14"},{"Metabolite":"Quinic acid","1":"","2":"13.13","3":"","4":"14.17","5":"13.67","6":"15.36","7":"15.59","8":"","9":"","Ghost (blank)":""},{"Metabolite":"Caffeine","1":"","2":"16.51","3":"","4":"13.54","5":"","6":"14.84","7":"17.48","8":"","9":"","Ghost (blank)":""},{"Metabolite":"Fructose or similar ketohexose","1":"16.85","2":"19.68","3":"16.23","4":"19","5":"18.92","6":"17.32","7":"17.82","8":"17.82","9":"17.86","Ghost (blank)":""},{"Metabolite":"Dehydroascorbic acid","1":"","2":"19.93","3":"","4":"18.85","5":"19.77","6":"19.88","7":"17.05","8":"17.69","9":"20.24","Ghost (blank)":""},{"Metabolite":"Hexose","1":"26.45","2":"26.76","3":"26.49","4":"26.71","5":"26.74","6":"26.63","7":"26.56","8":"26.57","9":"26.99","Ghost (blank)":"10.45"},{"Metabolite":"Histidine","1":"15.88","2":"18.29","3":"16.14","4":"17.94","5":"18.22","6":"18.14","7":"15.16","8":"16.16","9":"17.31","Ghost (blank)":""},{"Metabolite":"Lysine","1":"18.59","2":"20.68","3":"19.89","4":"20.16","5":"21.03","6":"20.8","7":"19.72","8":"20.02","9":"20.47","Ghost (blank)":""},{"Metabolite":"Methyl palmitate","1":"16.79","2":"21.56","3":"16.61","4":"19.95","5":"18.57","6":"20.99","7":"21.23","8":"21.56","9":"18.92","Ghost (blank)":""},{"Metabolite":"Tyrosine","1":"19.2","2":"20.38","3":"19.79","4":"19.82","5":"20.4","6":"20.46","7":"19.9","8":"20.1","9":"19.82","Ghost (blank)":""},{"Metabolite":"Gluconic acid","1":"18.73","2":"19.89","3":"19.06","4":"19.9","5":"20.05","6":"20.14","7":"19.36","8":"19.28","9":"21.34","Ghost (blank)":""},{"Metabolite":"Indoleacetic acid","1":"12.82","2":"","3":"12.78","4":"13.23","5":"12.66","6":"14.29","7":"13.6","8":"12.82","9":"12.31","Ghost (blank)":""},{"Metabolite":"3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid","1":"","2":"12.9","3":"13.21","4":"","5":"","6":"12.37","7":"12.5","8":"","9":"13.73","Ghost (blank)":""},{"Metabolite":"5-Hydroxylysine","1":"","2":"","3":"12.16","4":"","5":"13.14","6":"12.39","7":"10.08","8":"","9":"12.83","Ghost (blank)":""},{"Metabolite":"Palmitoleic acid","1":"17.11","2":"17.27","3":"19.49","4":"17.58","5":"19.14","6":"19.21","7":"17.61","8":"20.37","9":"16.66","Ghost (blank)":""},{"Metabolite":"Palmitic acid","1":"23.14","2":"22.49","3":"23.8","4":"22.68","5":"23.06","6":"23.4","7":"23.09","8":"23.64","9":"22.15","Ghost (blank)":"21.9"},{"Metabolite":"3-Indolepropionic acid","1":"11.18","2":"","3":"14.93","4":"11.67","5":"12.88","6":"14.8","7":"13.66","8":"13.72","9":"14.97","Ghost (blank)":""},{"Metabolite":"Myo-inositol","1":"18.75","2":"20.17","3":"19.08","4":"20.14","5":"19.84","6":"20.05","7":"18.88","8":"19.49","9":"19.83","Ghost (blank)":""},{"Metabolite":"Uric acid","1":"21.2","2":"19.97","3":"20.81","4":"21.26","5":"21.41","6":"21.81","7":"19.52","8":"19.42","9":"21.17","Ghost (blank)":""},{"Metabolite":"Methyl linoleate","1":"","2":"18.78","3":"","4":"17.57","5":"15.42","6":"19.41","7":"19.58","8":"20.59","9":"16.27","Ghost (blank)":""},{"Metabolite":"Methyl oleate","1":"","2":"18.22","3":"","4":"16.56","5":"14.23","6":"18.02","7":"18.37","8":"19.14","9":"15.47","Ghost (blank)":""},{"Metabolite":"Methyl stearate","1":"16.57","2":"21.52","3":"17.98","4":"20.46","5":"18.72","6":"21.84","7":"22.02","8":"22.58","9":"19.53","Ghost (blank)":""},{"Metabolite":"Heptadecanoic acid/Octadecanol","1":"13.95","2":"12.15","3":"14.85","4":"13.18","5":"13.94","6":"14.34","7":"14.34","8":"15.83","9":"","Ghost (blank)":"10.45"},{"Metabolite":"3-Indolelactic acid","1":"12.84","2":"","3":"","4":"14.03","5":"","6":"","7":"","8":"","9":"","Ghost (blank)":""},{"Metabolite":"1-Methyltryptophan","1":"11.85","2":"14.44","3":"14.26","4":"15.72","5":"15.77","6":"","7":"10.55","8":"12.52","9":"","Ghost (blank)":""},{"Metabolite":"Linoleic acid","1":"21.79","2":"19.53","3":"23.05","4":"21.15","5":"21.53","6":"22.52","7":"21.8","8":"22.78","9":"20.46","Ghost (blank)":"17.04"},{"Metabolite":"Tryptophan","1":"18.83","2":"17.92","3":"18.77","4":"19.8","5":"20.79","6":"19.47","7":"18.93","8":"19.27","9":"20.03","Ghost (blank)":""},{"Metabolite":"Oleic acid","1":"22.89","2":"20.87","3":"23.97","4":"21.57","5":"22.77","6":"23.14","7":"23.03","8":"23.74","9":"20.6","Ghost (blank)":"14.81"},{"Metabolite":"Cystine","1":"14.84","2":"16.79","3":"14.14","4":"15.13","5":"17.43","6":"15.95","7":"","8":"","9":"16.36","Ghost (blank)":""},{"Metabolite":"Hexose 6-phosphate","1":"","2":"10.84","3":"","4":"10.7","5":"","6":"12.97","7":"","8":"10.76","9":"","Ghost (blank)":""},{"Metabolite":"Arachidonic acid","1":"16.26","2":"17.53","3":"17.91","4":"18.78","5":"17.61","6":"19.14","7":"18.2","8":"18.21","9":"18.34","Ghost (blank)":"16.18"},{"Metabolite":"Arachidic acid/ 1-Heneicosanol","1":"12.4","2":"","3":"13.99","4":"13.97","5":"13.65","6":"13.24","7":"13.63","8":"13.79","9":"11.87","Ghost (blank)":""},{"Metabolite":"5-Methoxytryptamine/Serotonin","1":"","2":"","3":"","4":"","5":"","6":"16.89","7":"16.66","8":"17.07","9":"","Ghost (blank)":""},{"Metabolite":"MG 0:0/16:0/0:0","1":"17.14","2":"17.8","3":"18.26","4":"18.04","5":"18.02","6":"17.93","7":"17.93","8":"17.8","9":"18.04","Ghost (blank)":"15"},{"Metabolite":"Docosahexaenoic acid","1":"","2":"","3":"14.36","4":"14.48","5":"12.27","6":"15.77","7":"15.31","8":"14.28","9":"14.26","Ghost (blank)":""},{"Metabolite":"Cellobiose or similar disaccharide","1":"16.26","2":"18.86","3":"14.97","4":"17.75","5":"17.57","6":"19.8","7":"19.19","8":"16.9","9":"18.05","Ghost (blank)":""},{"Metabolite":"MG 0:0/18:0/0:0","1":"20.52","2":"21.08","3":"21.55","4":"21.22","5":"21.04","6":"21.08","7":"21.15","8":"20.95","9":"21.17","Ghost (blank)":"18.44"},{"Metabolite":"MG 18:1(9Z)/0:0/0:0","1":"12.24","2":"13.06","3":"13.54","4":"13.02","5":"14.07","6":"14.07","7":"13.6","8":"15.34","9":"13.87","Ghost (blank)":"12.38"},{"Metabolite":"Maltose or similar disaccharide","1":"12.46","2":"16.64","3":"11.93","4":"15.22","5":"14.67","6":"17.79","7":"17.06","8":"13.67","9":"15.6","Ghost (blank)":""},{"Metabolite":"gamma-Tocopherol","1":"15.03","2":"16.35","3":"16.77","4":"15.35","5":"15.43","6":"16.06","7":"15.51","8":"15.74","9":"16.79","Ghost (blank)":""},{"Metabolite":"AMP","1":"","2":"12.58","3":"","4":"","5":"10.36","6":"","7":"","8":"","9":"","Ghost (blank)":""},{"Metabolite":"alpha-Tocopherol","1":"17.85","2":"19.6","3":"19.24","4":"19.65","5":"18.84","6":"19.65","7":"19.62","8":"19.76","9":"19.35","Ghost (blank)":""},{"Metabolite":"Cholesterol","1":"24.06","2":"25.82","3":"25.32","4":"25.25","5":"24.86","6":"25.67","7":"25.75","8":"25.68","9":"25.22","Ghost (blank)":""},{"Metabolite":"Campesterol","1":"","2":"","3":"11.63","4":"","5":"13.16","6":"13.07","7":"","8":"16.7","9":"12.74","Ghost (blank)":""},{"Metabolite":"Sitosterol","1":"","2":"","3":"","4":"","5":"12.89","6":"13.88","7":"","8":"15.81","9":"","Ghost (blank)":""}],

"Metabolites":[{"Metabolite":"Pyruvic acid","Retention time":"6.599"},{"Metabolite":"Lactic acid","Retention time":"6.753"},{"Metabolite":"2-Hydroxyisobutyric acid","Retention time":"6.813"},{"Metabolite":"Glycolic acid","Retention time":"7.005"},{"Metabolite":"3-Methyl pyruvic acid","Retention time":"7.384"},{"Metabolite":"Alanine","Retention time":"7.403"},{"Metabolite":"2-Ketovaline","Retention time":"7.49"},{"Metabolite":"2-Hydroxybutyric acid","Retention time":"7.749"},{"Metabolite":"P-Cresol","Retention time":"8.203"},{"Metabolite":"Leucine","Retention time":"8.233"},{"Metabolite":"3-Hydroxybutyric acid","Retention time":"8.258"},{"Metabolite":"2-Hydroxyvaleric acid","Retention time":"8.307"},{"Metabolite":"N-Methylalanine/2-Aminobutanoic acid","Retention time":"8.438"},{"Metabolite":"2-Ketoleucine/ketoisoleucine","Retention time":"9.032"},{"Metabolite":"Valine","Retention time":"9.073"},{"Metabolite":"Urea","Retention time":"9.526"},{"Metabolite":"Caprylic acid","Retention time":"9.808"},{"Metabolite":"Ethanolamine","Retention time":"9.816"},{"Metabolite":"Phosphoric acid","Retention time":"9.877"},{"Metabolite":"Glycerol","Retention time":"9.885"},{"Metabolite":"Isoleucine/Leucine","Retention time":"10.18"},{"Metabolite":"Proline","Retention time":"10.264"},{"Metabolite":"Glycine","Retention time":"10.374"},{"Metabolite":"Succinic acid","Retention time":"10.478"},{"Metabolite":"Maleic acid","Retention time":"10.551"},{"Metabolite":"Glyceric acid","Retention time":"10.663"},{"Metabolite":"Uracil","Retention time":"10.798"},{"Metabolite":"Fumaric acid","Retention time":"10.977"},{"Metabolite":"Serine","Retention time":"11.079"},{"Metabolite":"Pelargonic acid","Retention time":"11.145"},{"Metabolite":"Threonine","Retention time":"11.419"},{"Metabolite":"beta-Alanine","Retention time":"12.012"},{"Metabolite":"Capric acid","Retention time":"12.419"},{"Metabolite":"Aminomalonic acid","Retention time":"12.532"},{"Metabolite":"Malic acid","Retention time":"12.744"},{"Metabolite":"Threitol/Erythritol","Retention time":"12.971"},{"Metabolite":"Aspartic acid","Retention time":"13.154"},{"Metabolite":"3-Methyloxyindole","Retention time":"13.16"},{"Metabolite":"Methionine","Retention time":"13.168"},{"Metabolite":"Hydroxyprolines","Retention time":"13.236"},{"Metabolite":"Erythronic acid","Retention time":"13.408"},{"Metabolite":"Threonic acid","Retention time":"13.607"},{"Metabolite":"Oxoglutaric acid","Retention time":"13.83"},{"Metabolite":"Glutamic acid","Retention time":"14.362"},{"Metabolite":"3-Hydroxymethylglutaricacid","Retention time":"14.362"},{"Metabolite":"Phenylalanine","Retention time":"14.479"},{"Metabolite":"Lauric acid","Retention time":"14.79"},{"Metabolite":"Aldopentoses","Retention time":"14.806"},{"Metabolite":"Pyrophosphate","Retention time":"14.801"},{"Metabolite":"Asparagine","Retention time":"14.932"},{"Metabolite":"Pentitols","Retention time":"15.471"},{"Metabolite":"6-Deoxyhexose","Retention time":"15.547"},{"Metabolite":"sn-Glycero-3-phosphate","Retention time":"15.932"},{"Metabolite":"Gentisic acid","Retention time":"15.945"},{"Metabolite":"Pentonic acids","Retention time":"15.953"},{"Metabolite":"Glutamine","Retention time":"16.104"},{"Metabolite":"Phosphoethanolamine","Retention time":"16.191"},{"Metabolite":"3-Phosphoglyceric acid","Retention time":"16.416"},{"Metabolite":"Shikimic acid","Retention time":"16.417"},{"Metabolite":"Hippuric acid","Retention time":"16.457"},{"Metabolite":"3-Methylhistidine","Retention time":"16.467"},{"Metabolite":"Hypoxanthine","Retention time":"16.482"},{"Metabolite":"Citric acid/isocitric acid","Retention time":"16.569"},{"Metabolite":"Ornithine","Retention time":"16.575"},{"Metabolite":"Arginine/Citrulline","Retention time":"16.655"},{"Metabolite":"1,5-Anhydrosorbitol","Retention time":"16.931"},{"Metabolite":"Myristic acid","Retention time":"16.948"},{"Metabolite":"Quinic acid","Retention time":"16.975"},{"Metabolite":"Caffeine","Retention time":"17.026"},{"Metabolite":"Fructose or similar ketohexose","Retention time":"17.178"},{"Metabolite":"Dehydroascorbic acid","Retention time":"17.189"},{"Metabolite":"Hexose","Retention time":"17.359"},{"Metabolite":"Histidine","Retention time":"17.642"},{"Metabolite":"Lysine","Retention time":"17.671"},{"Metabolite":"Methyl palmitate","Retention time":"17.769"},{"Metabolite":"Tyrosine","Retention time":"17.845"},{"Metabolite":"Gluconic acid","Retention time":"17.985"},{"Metabolite":"Indoleacetic acid","Retention time":"18.106"},{"Metabolite":"3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid","Retention time":"18.239"},{"Metabolite":"5-Hydroxylysine","Retention time":"18.531"},{"Metabolite":"Palmitoleic acid","Retention time":"18.727"},{"Metabolite":"Palmitic acid","Retention time":"18.923"},{"Metabolite":"3-Indolepropionic acid","Retention time":"19.277"},{"Metabolite":"Myo-inositol","Retention time":"19.297"},{"Metabolite":"Uric acid","Retention time":"19.363"},{"Metabolite":"Methyl linoleate","Retention time":"19.414"},{"Metabolite":"Methyl oleate","Retention time":"19.473"},{"Metabolite":"Methyl stearate","Retention time":"19.706"},{"Metabolite":"Heptadecanoic acid/Octadecanol","Retention time":"19.847"},{"Metabolite":"3-Indolelactic acid","Retention time":"20.084"},{"Metabolite":"1-Methyltryptophan","Retention time":"20.095"},{"Metabolite":"Linoleic acid","Retention time":"20.457"},{"Metabolite":"Tryptophan","Retention time":"20.465"},{"Metabolite":"Oleic acid","Retention time":"20.508"},{"Metabolite":"Cystine","Retention time":"21.133"},{"Metabolite":"Hexose 6-phosphate","Retention time":"21.303"},{"Metabolite":"Arachidonic acid","Retention time":"21.817"},{"Metabolite":"Arachidic acid/ 1-Heneicosanol","Retention time":"22.408"},{"Metabolite":"5-Methoxytryptamine/Serotonin","Retention time":"22.539"},{"Metabolite":"MG 0:0/16:0/0:0","Retention time":"23.267"},{"Metabolite":"Docosahexaenoic acid","Retention time":"23.343"},{"Metabolite":"Cellobiose or similar disaccharide","Retention time":"24.624"},{"Metabolite":"MG 0:0/18:0/0:0","Retention time":"24.711"},{"Metabolite":"MG 18:1(9Z)/0:0/0:0","Retention time":"24.798"},{"Metabolite":"Maltose or similar disaccharide","Retention time":"24.825"},{"Metabolite":"gamma-Tocopherol","Retention time":"26.521"},{"Metabolite":"AMP","Retention time":"26.889"},{"Metabolite":"alpha-Tocopherol","Retention time":"27.466"},{"Metabolite":"Cholesterol","Retention time":"27.612"},{"Metabolite":"Campesterol","Retention time":"28.313"},{"Metabolite":"Sitosterol","Retention time":"28.945"}]
}

}