#METABOLOMICS WORKBENCH jimenezsousa_20220609_081253 DATATRACK_ID:3299 STUDY_ID:ST002194 ANALYSIS_ID:AN003591
VERSION                          	1
CREATED_ON                       	06-14-2022
#PROJECT
PR:PROJECT_TITLE                 	Metabolic profiling at COVID-19 onset shows disease severity and sex-specific
PR:PROJECT_TITLE                 	dysregulation
PR:PROJECT_SUMMARY               	Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causes an acute
PR:PROJECT_SUMMARY               	respiratory disease, the coronavirus disease 2019 (COVID-19), which has been
PR:PROJECT_SUMMARY               	associated with high mortality and morbidity rates worldwide. However, the
PR:PROJECT_SUMMARY               	biological mechanisms of SARS-CoV-2 induced pathology are still not completely
PR:PROJECT_SUMMARY               	understood. This study aimed to characterize the metabolic and cytokine profile
PR:PROJECT_SUMMARY               	of COVID-19 patients at hospital admission and identify its association with the
PR:PROJECT_SUMMARY               	highest COVID-19 severity reached, as well as the differences by sex. We
PR:PROJECT_SUMMARY               	performed a metabolomics analysis in 129 COVID-19 patients enrolled from March
PR:PROJECT_SUMMARY               	to September 2020 at three hospitals in Madrid: Infanta Leonor University
PR:PROJECT_SUMMARY               	Hospital, del Tajo University Hospital, and Príncipe de Asturias University
PR:PROJECT_SUMMARY               	Hospital (although 123 fulfilled criteria and were used in statistical
PR:PROJECT_SUMMARY               	analysis), and a control group of 15 pre-pandemic healthy controls without any
PR:PROJECT_SUMMARY               	known infection. Patient samples were collected at hospital admission or within
PR:PROJECT_SUMMARY               	the first days after hospitalization and an untargeted plasma metabolic
PR:PROJECT_SUMMARY               	profiling (gas chromatography and capillary electrophoresis-mass spectrometry
PR:PROJECT_SUMMARY               	(GC and CE-MS)) was performed. The primary outcomes were SARS-CoV-2 infection
PR:PROJECT_SUMMARY               	(COVID-19 patients versus healthy controls), COVID-19 symptomatology
PR:PROJECT_SUMMARY               	(hospitalized symptomatic patients (moderate plus severe) versus asymptomatic),
PR:PROJECT_SUMMARY               	and COVID-19 severe (severe versus moderate).
PR:INSTITUTE                     	CEMBIO
PR:LAST_NAME                     	Barbas
PR:FIRST_NAME                    	Coral
PR:ADDRESS                       	CEU Universities, Urbanización Montepríncipe
PR:EMAIL                         	cbarbas@ceu.es
PR:PHONE                         	+34 913724700
PR:DOI                           	http://dx.doi.org/10.21228/M8141Z
#STUDY
ST:STUDY_TITLE                   	Metabolic profiling at COVID-19 onset shows disease severity and sex-specific
ST:STUDY_TITLE                   	dysregulation
ST:STUDY_SUMMARY                 	In this study CE-MS and GC-MS based metabolomics was used to analyze COVID-19
ST:STUDY_SUMMARY                 	disease. In total, 144 individuals classified as healthy, asymptomatic/mils,
ST:STUDY_SUMMARY                 	moderate and severe according to the highest COVID-19 severity status, were
ST:STUDY_SUMMARY                 	analyzed.
ST:INSTITUTE                     	CEMBIO
ST:LAST_NAME                     	Barbas
ST:FIRST_NAME                    	Coral
ST:ADDRESS                       	CEU Universities, Urbanización Montepríncipe
ST:EMAIL                         	cbarbas@ceu.es
ST:PHONE                         	+34 913724700
ST:SUBMIT_DATE                   	2022-06-09
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	HUPA_65	Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=38; RAW_FILE_NAME=HUPA_65
SUBJECT_SAMPLE_FACTORS           	-	HUPA_78	Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=47; RAW_FILE_NAME=HUPA_78
SUBJECT_SAMPLE_FACTORS           	-	HUPA_83	Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=33; RAW_FILE_NAME=HUPA_83
SUBJECT_SAMPLE_FACTORS           	-	HUPA_93	Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=68; RAW_FILE_NAME=HUPA_93
SUBJECT_SAMPLE_FACTORS           	-	HUPA_73	Label:AM | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=74; RAW_FILE_NAME=HUPA_73
SUBJECT_SAMPLE_FACTORS           	-	HUPA_77_Bis	Label:AM | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=65; RAW_FILE_NAME=HUPA_77_Bis
SUBJECT_SAMPLE_FACTORS           	-	HUPA_76	Label:AM | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0	Age=90; RAW_FILE_NAME=HUPA_76
SUBJECT_SAMPLE_FACTORS           	-	HT_12	Label:AM | Gender:0 | HTA:1 | Obesity:2 | Dyspnoea:0	Age=75; RAW_FILE_NAME=HT_12
SUBJECT_SAMPLE_FACTORS           	-	HUPA_81	Label:AM | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=46; RAW_FILE_NAME=HUPA_81
SUBJECT_SAMPLE_FACTORS           	-	HUPA_85	Label:AM | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=71; RAW_FILE_NAME=HUPA_85
SUBJECT_SAMPLE_FACTORS           	-	HUPA_67	Label:AM | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:0	Age=39; RAW_FILE_NAME=HUPA_67
SUBJECT_SAMPLE_FACTORS           	-	HUPA_97	Label:AM | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=72; RAW_FILE_NAME=HUPA_97
SUBJECT_SAMPLE_FACTORS           	-	CS_11	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=67; RAW_FILE_NAME=CS_11
SUBJECT_SAMPLE_FACTORS           	-	CS_42	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=77; RAW_FILE_NAME=CS_42
SUBJECT_SAMPLE_FACTORS           	-	CS_66	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=69; RAW_FILE_NAME=CS_66
SUBJECT_SAMPLE_FACTORS           	-	CS_78	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=63; RAW_FILE_NAME=CS_78
SUBJECT_SAMPLE_FACTORS           	-	CS_79	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=65; RAW_FILE_NAME=CS_79
SUBJECT_SAMPLE_FACTORS           	-	CS_84	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=67; RAW_FILE_NAME=CS_84
SUBJECT_SAMPLE_FACTORS           	-	CS_86	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=67; RAW_FILE_NAME=CS_86
SUBJECT_SAMPLE_FACTORS           	-	CS_87	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=63; RAW_FILE_NAME=CS_87
SUBJECT_SAMPLE_FACTORS           	-	CS_15	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=72; RAW_FILE_NAME=CS_15
SUBJECT_SAMPLE_FACTORS           	-	CS_41	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=67; RAW_FILE_NAME=CS_41
SUBJECT_SAMPLE_FACTORS           	-	CS_48	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=65; RAW_FILE_NAME=CS_48
SUBJECT_SAMPLE_FACTORS           	-	CS_5	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=69; RAW_FILE_NAME=CS_5
SUBJECT_SAMPLE_FACTORS           	-	CS_54	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=44; RAW_FILE_NAME=CS_54
SUBJECT_SAMPLE_FACTORS           	-	CS_55	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=52; RAW_FILE_NAME=CS_55
SUBJECT_SAMPLE_FACTORS           	-	CS_77	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=54; RAW_FILE_NAME=CS_77
SUBJECT_SAMPLE_FACTORS           	-	CNMI_17	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=51; RAW_FILE_NAME=CNMI_17
SUBJECT_SAMPLE_FACTORS           	-	CNMI_26	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=32; RAW_FILE_NAME=CNMI_26
SUBJECT_SAMPLE_FACTORS           	-	CNMI_47	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=41; RAW_FILE_NAME=CNMI_47
SUBJECT_SAMPLE_FACTORS           	-	CNMI_12	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=67; RAW_FILE_NAME=CNMI_12
SUBJECT_SAMPLE_FACTORS           	-	CNMI_16	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=72; RAW_FILE_NAME=CNMI_16
SUBJECT_SAMPLE_FACTORS           	-	CNMI_19	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=64; RAW_FILE_NAME=CNMI_19
SUBJECT_SAMPLE_FACTORS           	-	CNMI_21	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=18; RAW_FILE_NAME=CNMI_21
SUBJECT_SAMPLE_FACTORS           	-	CNMI_317	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=81; RAW_FILE_NAME=CNMI_317
SUBJECT_SAMPLE_FACTORS           	-	CNMI_42	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=59; RAW_FILE_NAME=CNMI_42
SUBJECT_SAMPLE_FACTORS           	-	CNMI_43	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=55; RAW_FILE_NAME=CNMI_43
SUBJECT_SAMPLE_FACTORS           	-	CNMI_52	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=60; RAW_FILE_NAME=CNMI_52
SUBJECT_SAMPLE_FACTORS           	-	CNMI_53	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=36; RAW_FILE_NAME=CNMI_53
SUBJECT_SAMPLE_FACTORS           	-	CNMI_617	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=86; RAW_FILE_NAME=CNMI_617
SUBJECT_SAMPLE_FACTORS           	-	CNMI_9	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=76; RAW_FILE_NAME=CNMI_9
SUBJECT_SAMPLE_FACTORS           	-	CNMI_20_Bis	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=69; RAW_FILE_NAME=CNMI_20_Bis
SUBJECT_SAMPLE_FACTORS           	-	CNMI_48	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=75; RAW_FILE_NAME=CNMI_48
SUBJECT_SAMPLE_FACTORS           	-	CNMI_611	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=82; RAW_FILE_NAME=CNMI_611
SUBJECT_SAMPLE_FACTORS           	-	CNMI_76	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=84; RAW_FILE_NAME=CNMI_76
SUBJECT_SAMPLE_FACTORS           	-	CNMI_24	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=84; RAW_FILE_NAME=CNMI_24
SUBJECT_SAMPLE_FACTORS           	-	CNMI_25	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=63; RAW_FILE_NAME=CNMI_25
SUBJECT_SAMPLE_FACTORS           	-	CNMI_44	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=86; RAW_FILE_NAME=CNMI_44
SUBJECT_SAMPLE_FACTORS           	-	CNMI_46	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=70; RAW_FILE_NAME=CNMI_46
SUBJECT_SAMPLE_FACTORS           	-	CNMI_55	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=72; RAW_FILE_NAME=CNMI_55
SUBJECT_SAMPLE_FACTORS           	-	CNMI_56	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=93; RAW_FILE_NAME=CNMI_56
SUBJECT_SAMPLE_FACTORS           	-	CNMI_61	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=69; RAW_FILE_NAME=CNMI_61
SUBJECT_SAMPLE_FACTORS           	-	CNMI_75	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=59; RAW_FILE_NAME=CNMI_75
SUBJECT_SAMPLE_FACTORS           	-	CNMI_32	Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0	Age=81; RAW_FILE_NAME=CNMI_32
SUBJECT_SAMPLE_FACTORS           	-	CNMI_93_Bis	Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0	Age=60; RAW_FILE_NAME=CNMI_93_Bis
SUBJECT_SAMPLE_FACTORS           	-	CNMI_68	Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=60; RAW_FILE_NAME=CNMI_68
SUBJECT_SAMPLE_FACTORS           	-	CNMI_86	Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=58; RAW_FILE_NAME=CNMI_86
SUBJECT_SAMPLE_FACTORS           	-	CNMI_18	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=57; RAW_FILE_NAME=CNMI_18
SUBJECT_SAMPLE_FACTORS           	-	CNMI_2	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=61; RAW_FILE_NAME=CNMI_2
SUBJECT_SAMPLE_FACTORS           	-	CNMI_27	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=48; RAW_FILE_NAME=CNMI_27
SUBJECT_SAMPLE_FACTORS           	-	CNMI_30	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=42; RAW_FILE_NAME=CNMI_30
SUBJECT_SAMPLE_FACTORS           	-	CNMI_36	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=63; RAW_FILE_NAME=CNMI_36
SUBJECT_SAMPLE_FACTORS           	-	CNMI_41	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=60; RAW_FILE_NAME=CNMI_41
SUBJECT_SAMPLE_FACTORS           	-	CNMI_51	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=55; RAW_FILE_NAME=CNMI_51
SUBJECT_SAMPLE_FACTORS           	-	CNMI_63	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=59; RAW_FILE_NAME=CNMI_63
SUBJECT_SAMPLE_FACTORS           	-	CNMI_64	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=38; RAW_FILE_NAME=CNMI_64
SUBJECT_SAMPLE_FACTORS           	-	CNMI_1	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=51; RAW_FILE_NAME=CNMI_1
SUBJECT_SAMPLE_FACTORS           	-	CNMI_14	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=64; RAW_FILE_NAME=CNMI_14
SUBJECT_SAMPLE_FACTORS           	-	CNMI_22	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=54; RAW_FILE_NAME=CNMI_22
SUBJECT_SAMPLE_FACTORS           	-	CNMI_34_Bis	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=54; RAW_FILE_NAME=CNMI_34_Bis
SUBJECT_SAMPLE_FACTORS           	-	CNMI_39	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=90; RAW_FILE_NAME=CNMI_39
SUBJECT_SAMPLE_FACTORS           	-	CNMI_5	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=55; RAW_FILE_NAME=CNMI_5
SUBJECT_SAMPLE_FACTORS           	-	CNMI_71	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=47; RAW_FILE_NAME=CNMI_71
SUBJECT_SAMPLE_FACTORS           	-	CNMI_73	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=54; RAW_FILE_NAME=CNMI_73
SUBJECT_SAMPLE_FACTORS           	-	CNMI_87	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=49; RAW_FILE_NAME=CNMI_87
SUBJECT_SAMPLE_FACTORS           	-	CNMI_90	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=49; RAW_FILE_NAME=CNMI_90
SUBJECT_SAMPLE_FACTORS           	-	CNMI_95	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=27; RAW_FILE_NAME=CNMI_95
SUBJECT_SAMPLE_FACTORS           	-	CNMI_4	Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:0	Age=49; RAW_FILE_NAME=CNMI_4
SUBJECT_SAMPLE_FACTORS           	-	CNMI_246	Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=76; RAW_FILE_NAME=CNMI_246
SUBJECT_SAMPLE_FACTORS           	-	CNMI_28	Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=51; RAW_FILE_NAME=CNMI_28
SUBJECT_SAMPLE_FACTORS           	-	CNMI_29	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=57; RAW_FILE_NAME=CNMI_29
SUBJECT_SAMPLE_FACTORS           	-	CNMI_31	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=82; RAW_FILE_NAME=CNMI_31
SUBJECT_SAMPLE_FACTORS           	-	CNMI_59	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=75; RAW_FILE_NAME=CNMI_59
SUBJECT_SAMPLE_FACTORS           	-	CNMI_89	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=56; RAW_FILE_NAME=CNMI_89
SUBJECT_SAMPLE_FACTORS           	-	CNMI_13	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=54; RAW_FILE_NAME=CNMI_13
SUBJECT_SAMPLE_FACTORS           	-	CNMI_45	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=57; RAW_FILE_NAME=CNMI_45
SUBJECT_SAMPLE_FACTORS           	-	CNMI_58	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=77; RAW_FILE_NAME=CNMI_58
SUBJECT_SAMPLE_FACTORS           	-	CNMI_6	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=74; RAW_FILE_NAME=CNMI_6
SUBJECT_SAMPLE_FACTORS           	-	CNMI_91	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=56; RAW_FILE_NAME=CNMI_91
SUBJECT_SAMPLE_FACTORS           	-	CNMI_72	Label:Moderate | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=65; RAW_FILE_NAME=CNMI_72
SUBJECT_SAMPLE_FACTORS           	-	CNMI_78	Label:Moderate | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=57; RAW_FILE_NAME=CNMI_78
SUBJECT_SAMPLE_FACTORS           	-	CNMI_0810	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=NA; RAW_FILE_NAME=CNMI_810
SUBJECT_SAMPLE_FACTORS           	-	HT_1	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=NA; RAW_FILE_NAME=HT_1
SUBJECT_SAMPLE_FACTORS           	-	HT_2	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=NA; RAW_FILE_NAME=HT_2
SUBJECT_SAMPLE_FACTORS           	-	HT_3	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=NA; RAW_FILE_NAME=HT_3
SUBJECT_SAMPLE_FACTORS           	-	HT_4	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=NA; RAW_FILE_NAME=HT_4
SUBJECT_SAMPLE_FACTORS           	-	HT_5	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=NA; RAW_FILE_NAME=HT_5
SUBJECT_SAMPLE_FACTORS           	-	HT_26	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=58; RAW_FILE_NAME=HT_26
SUBJECT_SAMPLE_FACTORS           	-	CNMI_54	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=62; RAW_FILE_NAME=CNMI_54
SUBJECT_SAMPLE_FACTORS           	-	CNMI_62	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=55; RAW_FILE_NAME=CNMI_62
SUBJECT_SAMPLE_FACTORS           	-	HT_15	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=19; RAW_FILE_NAME=HT_15
SUBJECT_SAMPLE_FACTORS           	-	HT_20	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=59; RAW_FILE_NAME=HT_20
SUBJECT_SAMPLE_FACTORS           	-	HT_21	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=69; RAW_FILE_NAME=HT_21
SUBJECT_SAMPLE_FACTORS           	-	CNMI_97	Label:Severe | Gender:0 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=55; RAW_FILE_NAME=CNMI_97
SUBJECT_SAMPLE_FACTORS           	-	CNMI_33	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=65; RAW_FILE_NAME=CNMI_33
SUBJECT_SAMPLE_FACTORS           	-	CNMI_11	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=97; RAW_FILE_NAME=CNMI_11
SUBJECT_SAMPLE_FACTORS           	-	CNMI_79	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=76; RAW_FILE_NAME=CNMI_79
SUBJECT_SAMPLE_FACTORS           	-	CNMI_83	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=84; RAW_FILE_NAME=CNMI_83
SUBJECT_SAMPLE_FACTORS           	-	CNMI_96	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=80; RAW_FILE_NAME=CNMI_96
SUBJECT_SAMPLE_FACTORS           	-	HUPA_66	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=59; RAW_FILE_NAME=HUPA_66
SUBJECT_SAMPLE_FACTORS           	-	HT_24	Label:Severe | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0	Age=47; RAW_FILE_NAME=HT_24
SUBJECT_SAMPLE_FACTORS           	-	HT_13	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=39; RAW_FILE_NAME=HT_13
SUBJECT_SAMPLE_FACTORS           	-	CNMI_3	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=54; RAW_FILE_NAME=CNMI_3
SUBJECT_SAMPLE_FACTORS           	-	CNMI_35	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=82; RAW_FILE_NAME=CNMI_35
SUBJECT_SAMPLE_FACTORS           	-	CNMI_38	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=47; RAW_FILE_NAME=CNMI_38
SUBJECT_SAMPLE_FACTORS           	-	CNMI_40	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=52; RAW_FILE_NAME=CNMI_40
SUBJECT_SAMPLE_FACTORS           	-	CNMI_50	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=61; RAW_FILE_NAME=CNMI_50
SUBJECT_SAMPLE_FACTORS           	-	CNMI_69	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=63; RAW_FILE_NAME=CNMI_69
SUBJECT_SAMPLE_FACTORS           	-	CNMI_88	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=88; RAW_FILE_NAME=CNMI_88
SUBJECT_SAMPLE_FACTORS           	-	HT_18_Bis	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=54; RAW_FILE_NAME=HT_18_Bis
SUBJECT_SAMPLE_FACTORS           	-	HT_22	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=60; RAW_FILE_NAME=HT_22
SUBJECT_SAMPLE_FACTORS           	-	CNMI_15	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=49; RAW_FILE_NAME=CNMI_15
SUBJECT_SAMPLE_FACTORS           	-	CNMI_60	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=58; RAW_FILE_NAME=CNMI_60
SUBJECT_SAMPLE_FACTORS           	-	CNMI_85	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=53; RAW_FILE_NAME=CNMI_85
SUBJECT_SAMPLE_FACTORS           	-	HT_14	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=20; RAW_FILE_NAME=HT_14
SUBJECT_SAMPLE_FACTORS           	-	HT_19	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=31; RAW_FILE_NAME=HT_19
SUBJECT_SAMPLE_FACTORS           	-	HT_23	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=42; RAW_FILE_NAME=HT_23
SUBJECT_SAMPLE_FACTORS           	-	HT_11	Label:Severe | Gender:1 | HTA:0 | Obesity:2 | Dyspnoea:0	Age=87; RAW_FILE_NAME=HT_11
SUBJECT_SAMPLE_FACTORS           	-	CNMI_7	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=85; RAW_FILE_NAME=CNMI_7
SUBJECT_SAMPLE_FACTORS           	-	CNMI_10	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=71; RAW_FILE_NAME=CNMI_10
SUBJECT_SAMPLE_FACTORS           	-	CNMI_23	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=62; RAW_FILE_NAME=CNMI_23
SUBJECT_SAMPLE_FACTORS           	-	CNMI_66	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=48; RAW_FILE_NAME=CNMI_66
SUBJECT_SAMPLE_FACTORS           	-	CNMI_67	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=91; RAW_FILE_NAME=CNMI_67
SUBJECT_SAMPLE_FACTORS           	-	CNMI_70	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=77; RAW_FILE_NAME=CNMI_70
SUBJECT_SAMPLE_FACTORS           	-	CNMI_74	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=61; RAW_FILE_NAME=CNMI_74
SUBJECT_SAMPLE_FACTORS           	-	CNMI_8	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=89; RAW_FILE_NAME=CNMI_8
SUBJECT_SAMPLE_FACTORS           	-	CNMI_81	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=87; RAW_FILE_NAME=CNMI_81
SUBJECT_SAMPLE_FACTORS           	-	CNMI_92	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=92; RAW_FILE_NAME=CNMI_92
SUBJECT_SAMPLE_FACTORS           	-	HT_17	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=69; RAW_FILE_NAME=HT_17
SUBJECT_SAMPLE_FACTORS           	-	CNMI_37	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=50; RAW_FILE_NAME=CNMI_37
SUBJECT_SAMPLE_FACTORS           	-	CNMI_49	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=79; RAW_FILE_NAME=CNMI_49
SUBJECT_SAMPLE_FACTORS           	-	CNMI_82	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=57; RAW_FILE_NAME=CNMI_82
SUBJECT_SAMPLE_FACTORS           	-	CNMI_94	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=66; RAW_FILE_NAME=CNMI_94
SUBJECT_SAMPLE_FACTORS           	-	HT_16	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=71; RAW_FILE_NAME=HT_16
#COLLECTION
CO:COLLECTION_SUMMARY            	Samples were collected at hospital admission or within the first days after
CO:COLLECTION_SUMMARY            	hospitalization (median = 2 days) and before treatment with immunotherapy
CO:COLLECTION_SUMMARY            	against IL-6 (e.g., tocilizumab), interferon beta, corticoids, or ribavirin,
CO:COLLECTION_SUMMARY            	among others. Plasma samples were obtained after centrifugation blood in EDTA
CO:COLLECTION_SUMMARY            	tubes and stored at -80 °C.
CO:SAMPLE_TYPE                   	Blood (plasma)
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Plasma samples were inactivated with cold (-20°C) MeOH : EtOH (1:1, v/v) and
TR:TREATMENT_SUMMARY             	vortex-mixed for 1 min, incubated on ice for 5 min, and centrifuged for 20 min
TR:TREATMENT_SUMMARY             	at 16000 xg at 4°C. The resulting supernatant was stored at -80°C until
TR:TREATMENT_SUMMARY             	analysis. Due to the broad differences in physical-chemical properties of
TR:TREATMENT_SUMMARY             	metabolites, we used GC-MS (focused on small molecules that can be made volatile
TR:TREATMENT_SUMMARY             	by derivatization) and CE-MS (focused on polar and ionic compounds) in order to
TR:TREATMENT_SUMMARY             	increase the metabolite coverage. Sample preparation for GC-MS and CE-MS was
TR:TREATMENT_SUMMARY             	detailed in the uploaded file in sample preparation part.
TR:TREATMENT_PROTOCOL_FILENAME   	Sample_treatment.pdf
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For GC-MS analysis samples, 200 µL of frozen plasma supernatant was thawed at
SP:SAMPLEPREP_SUMMARY            	room temperature and 30 µL of 80 mg/L deuterated palmitic acid in MeOH was
SP:SAMPLEPREP_SUMMARY            	added as internal standard (IS). After samples were evaporated to dryness a
SP:SAMPLEPREP_SUMMARY            	two-step derivatization process was done. For CE-MS analysis, 200 µL of frozen
SP:SAMPLEPREP_SUMMARY            	supernatant was thawed until room temperature and it was evaporated to dryness
SP:SAMPLEPREP_SUMMARY            	using a SpeedVac Concentrator System (Thermo Fisher Scientific, MA). Afterwards,
SP:SAMPLEPREP_SUMMARY            	100 µL of 0.2 mM methionine sulfone (MetS) as internal standard (IS) in 0.1 M
SP:SAMPLEPREP_SUMMARY            	formic acid solution was added. Samples were vortex mixed, filtered and
SP:SAMPLEPREP_SUMMARY            	subsequently centrifuged. More detailed information is included in the attached
SP:SAMPLEPREP_SUMMARY            	pdf.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Metabolite separation was performed in a fused silica capillary (100 cm; inner
CH:CHROMATOGRAPHY_SUMMARY        	diameter, 50 µm, Agilent Technologies). Before each analysis, background
CH:CHROMATOGRAPHY_SUMMARY        	electrolyte (BFE) (0.8 M formic acid solution in 10 % MeOH; v/v) was flushed for
CH:CHROMATOGRAPHY_SUMMARY        	5 min (950 mbar). Samples injections were performed over 50 s at 50 mbar and BGE
CH:CHROMATOGRAPHY_SUMMARY        	was injected after each injection for 10 s at 100 mbar to improve
CH:CHROMATOGRAPHY_SUMMARY        	reproducibility. The separation was carried out with an internal pressure of 25
CH:CHROMATOGRAPHY_SUMMARY        	mbar and 30 kV voltage with a total analytical run time of 35 min.
CH:METHODS_FILENAME              	Sample_Analysis.pdf
CH:INSTRUMENT_NAME               	Agilent 7100 CE
CH:COLUMN_NAME                   	silica capillary (100 cm; inner diameter, 50 µm, Agilent Technologies)
CH:CHROMATOGRAPHY_TYPE           	Other
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	Sample_Analysis.pdf
#MS
MS:INSTRUMENT_NAME               	Agilent CE-TOFMS
MS:INSTRUMENT_TYPE               	TOF
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	Data were acquired in positive ionization polarity with a full scan range from
MS:MS_COMMENTS                   	70 to 1000 m/z at a rate of 1.36 scan/s. The rest of MS conditions were:
MS:MS_COMMENTS                   	fragmentor set to 125 V, skimmer to 65 V, OCT RF Vpp to 750 V, drying gas
MS:MS_COMMENTS                   	temperature to 200 °C, flow rate to 10 L/min, nebulizer to 10 psig, and
MS:MS_COMMENTS                   	capillary voltage to 3500 V. The sheath liquid used for detection contained two
MS:MS_COMMENTS                   	reference masses (5 µL of purine with m/z 121.0509 and 5 µL of HP-0921 with
MS:MS_COMMENTS                   	m/z 922.0098) in MeOH/water (1/1; v/v) with 1 mM formic acid and the flow rate
MS:MS_COMMENTS                   	was set to 0.6 mL/min (split 1:100). The data acquisition was made using the
MS:MS_COMMENTS                   	Agilent MassHunter Workstation (Agilent Technologies).
MS:ION_MODE                      	POSITIVE
MS:MS_RESULTS_FILE               	ST002194_AN003591_Results.txt	UNITS:Peak Area	Has RT:Yes	RT units:Minutes
#END