{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002194","ANALYSIS_ID":"AN003591","VERSION":"1","CREATED_ON":"06-14-2022"},

"PROJECT":{"PROJECT_TITLE":"Metabolic profiling at COVID-19 onset shows disease severity and sex-specific dysregulation","PROJECT_SUMMARY":"Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causes an acute respiratory disease, the coronavirus disease 2019 (COVID-19), which has been associated with high mortality and morbidity rates worldwide. However, the biological mechanisms of SARS-CoV-2 induced pathology are still not completely understood. This study aimed to characterize the metabolic and cytokine profile of COVID-19 patients at hospital admission and identify its association with the highest COVID-19 severity reached, as well as the differences by sex. We performed a metabolomics analysis in 129 COVID-19 patients enrolled from March to September 2020 at three hospitals in Madrid: Infanta Leonor University Hospital, del Tajo University Hospital, and Príncipe de Asturias University Hospital (although 123 fulfilled criteria and were used in statistical analysis), and a control group of 15 pre-pandemic healthy controls without any known infection. Patient samples were collected at hospital admission or within the first days after hospitalization and an untargeted plasma metabolic profiling (gas chromatography and capillary electrophoresis-mass spectrometry (GC and CE-MS)) was performed. The primary outcomes were SARS-CoV-2 infection (COVID-19 patients versus healthy controls), COVID-19 symptomatology (hospitalized symptomatic patients (moderate plus severe) versus asymptomatic), and COVID-19 severe (severe versus moderate).","INSTITUTE":"CEMBIO","LAST_NAME":"Barbas","FIRST_NAME":"Coral","ADDRESS":"CEU Universities, Urbanización Montepríncipe","EMAIL":"cbarbas@ceu.es","PHONE":"+34 913724700","DOI":"http://dx.doi.org/10.21228/M8141Z"},

"STUDY":{"STUDY_TITLE":"Metabolic profiling at COVID-19 onset shows disease severity and sex-specific dysregulation","STUDY_SUMMARY":"In this study CE-MS and GC-MS based metabolomics was used to analyze COVID-19 disease. In total, 144 individuals classified as healthy, asymptomatic/mils, moderate and severe according to the highest COVID-19 severity status, were analyzed.","INSTITUTE":"CEMBIO","LAST_NAME":"Barbas","FIRST_NAME":"Coral","ADDRESS":"CEU Universities, Urbanización Montepríncipe","EMAIL":"cbarbas@ceu.es","PHONE":"+34 913724700","SUBMIT_DATE":"2022-06-09"},

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"Factors":{"Label":"AM","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"38","RAW_FILE_NAME":"HUPA_65"}
},
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"Subject ID":"-",
"Sample ID":"HUPA_78",
"Factors":{"Label":"AM","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"47","RAW_FILE_NAME":"HUPA_78"}
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"Additional sample data":{"Sample_Data:Age":"33","RAW_FILE_NAME":"HUPA_83"}
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"Sample ID":"HUPA_93",
"Factors":{"Label":"AM","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"0"},
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"Sample ID":"HUPA_76",
"Factors":{"Label":"AM","Gender":"0","HTA":"1","Obesity":"1","Dyspnoea":"0"},
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"Sample ID":"HT_12",
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"Factors":{"Label":"AM","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
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"Factors":{"Label":"AM","Gender":"1","HTA":"0","Obesity":"1","Dyspnoea":"0"},
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"Factors":{"Label":"Healthy","Gender":"0","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"77","RAW_FILE_NAME":"CS_42"}
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"Sample ID":"CS_66",
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"Sample ID":"CS_78",
"Factors":{"Label":"Healthy","Gender":"0","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"63","RAW_FILE_NAME":"CS_78"}
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"Subject ID":"-",
"Sample ID":"CS_79",
"Factors":{"Label":"Healthy","Gender":"0","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
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"Subject ID":"-",
"Sample ID":"CS_84",
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"Additional sample data":{"Sample_Data:Age":"67","RAW_FILE_NAME":"CS_84"}
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"Subject ID":"-",
"Sample ID":"CS_86",
"Factors":{"Label":"Healthy","Gender":"0","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"67","RAW_FILE_NAME":"CS_86"}
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{
"Subject ID":"-",
"Sample ID":"CS_87",
"Factors":{"Label":"Healthy","Gender":"0","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"63","RAW_FILE_NAME":"CS_87"}
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{
"Subject ID":"-",
"Sample ID":"CS_15",
"Factors":{"Label":"Healthy","Gender":"1","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"72","RAW_FILE_NAME":"CS_15"}
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"Subject ID":"-",
"Sample ID":"CS_41",
"Factors":{"Label":"Healthy","Gender":"1","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
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"Subject ID":"-",
"Sample ID":"CS_48",
"Factors":{"Label":"Healthy","Gender":"1","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"65","RAW_FILE_NAME":"CS_48"}
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"Subject ID":"-",
"Sample ID":"CS_5",
"Factors":{"Label":"Healthy","Gender":"1","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
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"Subject ID":"-",
"Sample ID":"CS_54",
"Factors":{"Label":"Healthy","Gender":"1","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"44","RAW_FILE_NAME":"CS_54"}
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"Subject ID":"-",
"Sample ID":"CS_55",
"Factors":{"Label":"Healthy","Gender":"1","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"52","RAW_FILE_NAME":"CS_55"}
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"Subject ID":"-",
"Sample ID":"CS_77",
"Factors":{"Label":"Healthy","Gender":"1","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
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{
"Subject ID":"-",
"Sample ID":"CNMI_17",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"0"},
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"Subject ID":"-",
"Sample ID":"CNMI_26",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"32","RAW_FILE_NAME":"CNMI_26"}
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{
"Subject ID":"-",
"Sample ID":"CNMI_47",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"41","RAW_FILE_NAME":"CNMI_47"}
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{
"Subject ID":"-",
"Sample ID":"CNMI_12",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"67","RAW_FILE_NAME":"CNMI_12"}
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{
"Subject ID":"-",
"Sample ID":"CNMI_16",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"72","RAW_FILE_NAME":"CNMI_16"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_19",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"64","RAW_FILE_NAME":"CNMI_19"}
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{
"Subject ID":"-",
"Sample ID":"CNMI_21",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"18","RAW_FILE_NAME":"CNMI_21"}
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{
"Subject ID":"-",
"Sample ID":"CNMI_317",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"81","RAW_FILE_NAME":"CNMI_317"}
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"Subject ID":"-",
"Sample ID":"CNMI_42",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"59","RAW_FILE_NAME":"CNMI_42"}
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{
"Subject ID":"-",
"Sample ID":"CNMI_43",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"55","RAW_FILE_NAME":"CNMI_43"}
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"Subject ID":"-",
"Sample ID":"CNMI_52",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"60","RAW_FILE_NAME":"CNMI_52"}
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{
"Subject ID":"-",
"Sample ID":"CNMI_53",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"36","RAW_FILE_NAME":"CNMI_53"}
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{
"Subject ID":"-",
"Sample ID":"CNMI_617",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"86","RAW_FILE_NAME":"CNMI_617"}
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{
"Subject ID":"-",
"Sample ID":"CNMI_9",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"76","RAW_FILE_NAME":"CNMI_9"}
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{
"Subject ID":"-",
"Sample ID":"CNMI_20_Bis",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"1","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"69","RAW_FILE_NAME":"CNMI_20_Bis"}
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"Subject ID":"-",
"Sample ID":"CNMI_48",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"1","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"75","RAW_FILE_NAME":"CNMI_48"}
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"Subject ID":"-",
"Sample ID":"CNMI_611",
"Factors":{"Label":"Moderate","Gender":"0","HTA":"1","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"82","RAW_FILE_NAME":"CNMI_611"}
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"Additional sample data":{"Sample_Data:Age":"84","RAW_FILE_NAME":"CNMI_76"}
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"Subject ID":"-",
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"Factors":{"Label":"Moderate","Gender":"0","HTA":"1","Obesity":"0","Dyspnoea":"1"},
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"Factors":{"Label":"Moderate","Gender":"0","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"63","RAW_FILE_NAME":"CNMI_25"}
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"Sample ID":"CNMI_44",
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"Additional sample data":{"Sample_Data:Age":"70","RAW_FILE_NAME":"CNMI_46"}
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"Subject ID":"-",
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"Subject ID":"-",
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},
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},
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},
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},
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"Subject ID":"-",
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"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"38","RAW_FILE_NAME":"CNMI_64"}
},
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"Subject ID":"-",
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"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"51","RAW_FILE_NAME":"CNMI_1"}
},
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"Subject ID":"-",
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"Additional sample data":{"Sample_Data:Age":"64","RAW_FILE_NAME":"CNMI_14"}
},
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"Subject ID":"-",
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"Additional sample data":{"Sample_Data:Age":"54","RAW_FILE_NAME":"CNMI_22"}
},
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"Subject ID":"-",
"Sample ID":"CNMI_34_Bis",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"54","RAW_FILE_NAME":"CNMI_34_Bis"}
},
{
"Subject ID":"-",
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"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
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"Subject ID":"-",
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"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"55","RAW_FILE_NAME":"CNMI_5"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_71",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"47","RAW_FILE_NAME":"CNMI_71"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_73",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"54","RAW_FILE_NAME":"CNMI_73"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_87",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"49","RAW_FILE_NAME":"CNMI_87"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_90",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"49","RAW_FILE_NAME":"CNMI_90"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_95",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"27","RAW_FILE_NAME":"CNMI_95"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_4",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"1","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"49","RAW_FILE_NAME":"CNMI_4"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_246",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"76","RAW_FILE_NAME":"CNMI_246"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_28",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"0","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"51","RAW_FILE_NAME":"CNMI_28"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_29",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"57","RAW_FILE_NAME":"CNMI_29"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_31",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"82","RAW_FILE_NAME":"CNMI_31"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_59",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"75","RAW_FILE_NAME":"CNMI_59"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_89",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"56","RAW_FILE_NAME":"CNMI_89"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_13",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"54","RAW_FILE_NAME":"CNMI_13"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_45",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"57","RAW_FILE_NAME":"CNMI_45"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_58",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"77","RAW_FILE_NAME":"CNMI_58"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_6",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"74","RAW_FILE_NAME":"CNMI_6"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_91",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"56","RAW_FILE_NAME":"CNMI_91"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_72",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"1","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"65","RAW_FILE_NAME":"CNMI_72"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_78",
"Factors":{"Label":"Moderate","Gender":"1","HTA":"1","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"57","RAW_FILE_NAME":"CNMI_78"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_0810",
"Factors":{"Label":"NA","Gender":"NA","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"NA","RAW_FILE_NAME":"CNMI_810"}
},
{
"Subject ID":"-",
"Sample ID":"HT_1",
"Factors":{"Label":"NA","Gender":"NA","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"NA","RAW_FILE_NAME":"HT_1"}
},
{
"Subject ID":"-",
"Sample ID":"HT_2",
"Factors":{"Label":"NA","Gender":"NA","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"NA","RAW_FILE_NAME":"HT_2"}
},
{
"Subject ID":"-",
"Sample ID":"HT_3",
"Factors":{"Label":"NA","Gender":"NA","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"NA","RAW_FILE_NAME":"HT_3"}
},
{
"Subject ID":"-",
"Sample ID":"HT_4",
"Factors":{"Label":"NA","Gender":"NA","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"NA","RAW_FILE_NAME":"HT_4"}
},
{
"Subject ID":"-",
"Sample ID":"HT_5",
"Factors":{"Label":"NA","Gender":"NA","HTA":"NA","Obesity":"NA","Dyspnoea":"NA"},
"Additional sample data":{"Sample_Data:Age":"NA","RAW_FILE_NAME":"HT_5"}
},
{
"Subject ID":"-",
"Sample ID":"HT_26",
"Factors":{"Label":"Severe","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"58","RAW_FILE_NAME":"HT_26"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_54",
"Factors":{"Label":"Severe","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"62","RAW_FILE_NAME":"CNMI_54"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_62",
"Factors":{"Label":"Severe","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"55","RAW_FILE_NAME":"CNMI_62"}
},
{
"Subject ID":"-",
"Sample ID":"HT_15",
"Factors":{"Label":"Severe","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"19","RAW_FILE_NAME":"HT_15"}
},
{
"Subject ID":"-",
"Sample ID":"HT_20",
"Factors":{"Label":"Severe","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"59","RAW_FILE_NAME":"HT_20"}
},
{
"Subject ID":"-",
"Sample ID":"HT_21",
"Factors":{"Label":"Severe","Gender":"0","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"69","RAW_FILE_NAME":"HT_21"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_97",
"Factors":{"Label":"Severe","Gender":"0","HTA":"0","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"55","RAW_FILE_NAME":"CNMI_97"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_33",
"Factors":{"Label":"Severe","Gender":"0","HTA":"1","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"65","RAW_FILE_NAME":"CNMI_33"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_11",
"Factors":{"Label":"Severe","Gender":"0","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"97","RAW_FILE_NAME":"CNMI_11"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_79",
"Factors":{"Label":"Severe","Gender":"0","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"76","RAW_FILE_NAME":"CNMI_79"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_83",
"Factors":{"Label":"Severe","Gender":"0","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"84","RAW_FILE_NAME":"CNMI_83"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_96",
"Factors":{"Label":"Severe","Gender":"0","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"80","RAW_FILE_NAME":"CNMI_96"}
},
{
"Subject ID":"-",
"Sample ID":"HUPA_66",
"Factors":{"Label":"Severe","Gender":"0","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"59","RAW_FILE_NAME":"HUPA_66"}
},
{
"Subject ID":"-",
"Sample ID":"HT_24",
"Factors":{"Label":"Severe","Gender":"0","HTA":"1","Obesity":"1","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"47","RAW_FILE_NAME":"HT_24"}
},
{
"Subject ID":"-",
"Sample ID":"HT_13",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"39","RAW_FILE_NAME":"HT_13"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_3",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"54","RAW_FILE_NAME":"CNMI_3"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_35",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"82","RAW_FILE_NAME":"CNMI_35"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_38",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"47","RAW_FILE_NAME":"CNMI_38"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_40",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"52","RAW_FILE_NAME":"CNMI_40"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_50",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"61","RAW_FILE_NAME":"CNMI_50"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_69",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"63","RAW_FILE_NAME":"CNMI_69"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_88",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"88","RAW_FILE_NAME":"CNMI_88"}
},
{
"Subject ID":"-",
"Sample ID":"HT_18_Bis",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"54","RAW_FILE_NAME":"HT_18_Bis"}
},
{
"Subject ID":"-",
"Sample ID":"HT_22",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"60","RAW_FILE_NAME":"HT_22"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_15",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"49","RAW_FILE_NAME":"CNMI_15"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_60",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"58","RAW_FILE_NAME":"CNMI_60"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_85",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"53","RAW_FILE_NAME":"CNMI_85"}
},
{
"Subject ID":"-",
"Sample ID":"HT_14",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"20","RAW_FILE_NAME":"HT_14"}
},
{
"Subject ID":"-",
"Sample ID":"HT_19",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"31","RAW_FILE_NAME":"HT_19"}
},
{
"Subject ID":"-",
"Sample ID":"HT_23",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"42","RAW_FILE_NAME":"HT_23"}
},
{
"Subject ID":"-",
"Sample ID":"HT_11",
"Factors":{"Label":"Severe","Gender":"1","HTA":"0","Obesity":"2","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"87","RAW_FILE_NAME":"HT_11"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_7",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"0"},
"Additional sample data":{"Sample_Data:Age":"85","RAW_FILE_NAME":"CNMI_7"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_10",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"71","RAW_FILE_NAME":"CNMI_10"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_23",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"62","RAW_FILE_NAME":"CNMI_23"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_66",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"48","RAW_FILE_NAME":"CNMI_66"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_67",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"91","RAW_FILE_NAME":"CNMI_67"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_70",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"77","RAW_FILE_NAME":"CNMI_70"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_74",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"61","RAW_FILE_NAME":"CNMI_74"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_8",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"89","RAW_FILE_NAME":"CNMI_8"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_81",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"87","RAW_FILE_NAME":"CNMI_81"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_92",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"92","RAW_FILE_NAME":"CNMI_92"}
},
{
"Subject ID":"-",
"Sample ID":"HT_17",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"0","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"69","RAW_FILE_NAME":"HT_17"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_37",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"50","RAW_FILE_NAME":"CNMI_37"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_49",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"79","RAW_FILE_NAME":"CNMI_49"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_82",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"57","RAW_FILE_NAME":"CNMI_82"}
},
{
"Subject ID":"-",
"Sample ID":"CNMI_94",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"66","RAW_FILE_NAME":"CNMI_94"}
},
{
"Subject ID":"-",
"Sample ID":"HT_16",
"Factors":{"Label":"Severe","Gender":"1","HTA":"1","Obesity":"1","Dyspnoea":"1"},
"Additional sample data":{"Sample_Data:Age":"71","RAW_FILE_NAME":"HT_16"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Samples were collected at hospital admission or within the first days after hospitalization (median = 2 days) and before treatment with immunotherapy against IL-6 (e.g., tocilizumab), interferon beta, corticoids, or ribavirin, among others. Plasma samples were obtained after centrifugation blood in EDTA tubes and stored at -80 °C.","SAMPLE_TYPE":"Blood (plasma)","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Plasma samples were inactivated with cold (-20°C) MeOH : EtOH (1:1, v/v) and vortex-mixed for 1 min, incubated on ice for 5 min, and centrifuged for 20 min at 16000 xg at 4°C. The resulting supernatant was stored at -80°C until analysis. Due to the broad differences in physical-chemical properties of metabolites, we used GC-MS (focused on small molecules that can be made volatile by derivatization) and CE-MS (focused on polar and ionic compounds) in order to increase the metabolite coverage. Sample preparation for GC-MS and CE-MS was detailed in the uploaded file in sample preparation part.","TREATMENT_PROTOCOL_FILENAME":"Sample_treatment.pdf"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"For GC-MS analysis samples, 200 µL of frozen plasma supernatant was thawed at room temperature and 30 µL of 80 mg/L deuterated palmitic acid in MeOH was added as internal standard (IS). After samples were evaporated to dryness a two-step derivatization process was done. For CE-MS analysis, 200 µL of frozen supernatant was thawed until room temperature and it was evaporated to dryness using a SpeedVac Concentrator System (Thermo Fisher Scientific, MA). Afterwards, 100 µL of 0.2 mM methionine sulfone (MetS) as internal standard (IS) in 0.1 M formic acid solution was added. Samples were vortex mixed, filtered and subsequently centrifuged. More detailed information is included in the attached pdf."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Metabolite separation was performed in a fused silica capillary (100 cm; inner diameter, 50 µm, Agilent Technologies). Before each analysis, background electrolyte (BFE) (0.8 M formic acid solution in 10 % MeOH; v/v) was flushed for 5 min (950 mbar). Samples injections were performed over 50 s at 50 mbar and BGE was injected after each injection for 10 s at 100 mbar to improve reproducibility. The separation was carried out with an internal pressure of 25 mbar and 30 kV voltage with a total analytical run time of 35 min.","METHODS_FILENAME":"Sample_Analysis.pdf","INSTRUMENT_NAME":"Agilent 7100 CE","COLUMN_NAME":"silica capillary (100 cm; inner diameter, 50 µm, Agilent Technologies)","CHROMATOGRAPHY_TYPE":"Other"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"Sample_Analysis.pdf","UNITS":"Peak Area"},

"MS":{"INSTRUMENT_NAME":"Agilent CE-TOFMS","INSTRUMENT_TYPE":"TOF","MS_TYPE":"ESI","MS_COMMENTS":"Data were acquired in positive ionization polarity with a full scan range from 70 to 1000 m/z at a rate of 1.36 scan/s. The rest of MS conditions were: fragmentor set to 125 V, skimmer to 65 V, OCT RF Vpp to 750 V, drying gas temperature to 200 °C, flow rate to 10 L/min, nebulizer to 10 psig, and capillary voltage to 3500 V. The sheath liquid used for detection contained two reference masses (5 µL of purine with m/z 121.0509 and 5 µL of HP-0921 with m/z 922.0098) in MeOH/water (1/1; v/v) with 1 mM formic acid and the flow rate was set to 0.6 mL/min (split 1:100). The data acquisition was made using the Agilent MassHunter Workstation (Agilent Technologies).","ION_MODE":"POSITIVE","MS_RESULTS_FILE":"ST002194_AN003591_Results.txt UNITS:Peak Area Has RT:Yes RT units:Minutes"}

}