#METABOLOMICS WORKBENCH juliehaines_20210329_112445 DATATRACK_ID:2546 STUDY_ID:ST001735 ANALYSIS_ID:AN002824 PROJECT_ID:PR001110
VERSION             	1
CREATED_ON             	April 2, 2021, 5:47 am
#PROJECT
PR:PROJECT_TITLE                 	The COVIDome Explorer Researcher Portal (Red blood cells)
PR:PROJECT_SUMMARY               	COVID-19 pathology involves dysregulation of diverse molecular, cellular, and
PR:PROJECT_SUMMARY               	physiological processes. In order to expedite integrated and collaborative
PR:PROJECT_SUMMARY               	COVID-19 research, we completed multi-omics analysis of hospitalized COVID-19
PR:PROJECT_SUMMARY               	patients including matched analysis of the whole blood transcriptome, plasma
PR:PROJECT_SUMMARY               	proteomics with two complementary platforms, cytokine profiling, plasma and red
PR:PROJECT_SUMMARY               	blood cell metabolomics, deep immune cell phenotyping by mass cytometry, and
PR:PROJECT_SUMMARY               	clinical data annotation. We refer to this multidimensional dataset as the
PR:PROJECT_SUMMARY               	COVIDome. We then created the COVIDome Explorer, an online researcher portal
PR:PROJECT_SUMMARY               	where the data can be analyzed and visualized in real time. We illustrate here
PR:PROJECT_SUMMARY               	the use of the COVIDome dataset through a multi-omics analysis of biosignatures
PR:PROJECT_SUMMARY               	associated with C-reactive protein (CRP), an established marker of poor
PR:PROJECT_SUMMARY               	prognosis in COVID-19, revealing associations between CRP levels and
PR:PROJECT_SUMMARY               	damage-associated molecular patterns, depletion of protective serpins, and
PR:PROJECT_SUMMARY               	mitochondrial metabolism dysregulation. We expect that the COVIDome Explorer
PR:PROJECT_SUMMARY               	will rapidly accelerate data sharing, hypothesis testing, and discoveries
PR:PROJECT_SUMMARY               	worldwide.
PR:INSTITUTE                     	University of Colorado Anschutz Medical Campus
PR:LAST_NAME                     	Haines
PR:FIRST_NAME                    	Julie
PR:ADDRESS                       	12801 E 17th Ave, Room 1303
PR:EMAIL                         	julie.haines@cuanschutz.edu
PR:PHONE                         	3037243339
#STUDY
ST:STUDY_TITLE                   	The COVIDome Explorer Researcher Portal (Red Blood Cells)
ST:STUDY_SUMMARY                 	COVID-19 pathology involves dysregulation of diverse molecular, cellular, and
ST:STUDY_SUMMARY                 	physiological processes. In order to expedite integrated and collaborative
ST:STUDY_SUMMARY                 	COVID-19 research, we completed multi-omics analysis of hospitalized COVID-19
ST:STUDY_SUMMARY                 	patients including matched analysis of the whole blood transcriptome, plasma
ST:STUDY_SUMMARY                 	proteomics with two complementary platforms, cytokine profiling, plasma and red
ST:STUDY_SUMMARY                 	blood cell metabolomics, deep immune cell phenotyping by mass cytometry, and
ST:STUDY_SUMMARY                 	clinical data annotation. We refer to this multidimensional dataset as the
ST:STUDY_SUMMARY                 	COVIDome. We then created the COVIDome Explorer, an online researcher portal
ST:STUDY_SUMMARY                 	where the data can be analyzed and visualized in real time. We illustrate here
ST:STUDY_SUMMARY                 	the use of the COVIDome dataset through a multi-omics analysis of biosignatures
ST:STUDY_SUMMARY                 	associated with C-reactive protein (CRP), an established marker of poor
ST:STUDY_SUMMARY                 	prognosis in COVID-19, revealing associations between CRP levels and
ST:STUDY_SUMMARY                 	damage-associated molecular patterns, depletion of protective serpins, and
ST:STUDY_SUMMARY                 	mitochondrial metabolism dysregulation. We expect that the COVIDome Explorer
ST:STUDY_SUMMARY                 	will rapidly accelerate data sharing, hypothesis testing, and discoveries
ST:STUDY_SUMMARY                 	worldwide.
ST:INSTITUTE                     	University of Colorado Anschutz Medical Campus
ST:LAST_NAME                     	Haines
ST:FIRST_NAME                    	Julie
ST:ADDRESS                       	12801 E 17th Ave, Room 1303
ST:EMAIL                         	julie.haines@cuanschutz.edu
ST:PHONE                         	3037243339
#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]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0001	COVID_Status:Positive | Sex:Male | Age:77	RAW_FILE_NAME=F2-03-39
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0002	COVID_Status:Positive | Sex:Female | Age:44	RAW_FILE_NAME=F2-03-74
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0003	COVID_Status:Positive | Sex:Female | Age:29	RAW_FILE_NAME=F2-03-28
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0004	COVID_Status:Negative | Sex:Male | Age:38	RAW_FILE_NAME=F2-03-115
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0005	COVID_Status:Positive | Sex:Male | Age:61	RAW_FILE_NAME=F2-03-36
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0006	COVID_Status:Negative | Sex:Female | Age:41	RAW_FILE_NAME=F2-03-35
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0007	COVID_Status:Positive | Sex:Male | Age:28	RAW_FILE_NAME=F2-03-113
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0008	COVID_Status:Positive | Sex:Female | Age:39	RAW_FILE_NAME=F2-03-02
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0009	COVID_Status:Positive | Sex:Female | Age:25	RAW_FILE_NAME=F2-03-19
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0010	COVID_Status:Positive | Sex:Male | Age:71	RAW_FILE_NAME=F2-03-03
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0011	COVID_Status:Positive | Sex:Male | Age:79	RAW_FILE_NAME=F2-03-30
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0012	COVID_Status:Positive | Sex:Male | Age:42	RAW_FILE_NAME=F2-03-112
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0013	COVID_Status:Positive | Sex:Male | Age:42	RAW_FILE_NAME=F2-03-07
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0014	COVID_Status:Positive | Sex:Female | Age:53	RAW_FILE_NAME=F2-03-87
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0016	COVID_Status:Positive | Sex:Male | Age:41	RAW_FILE_NAME=F2-03-55
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0017	COVID_Status:Negative | Sex:Female | Age:36	RAW_FILE_NAME=F2-03-70
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0018	COVID_Status:Positive | Sex:Female | Age:45	RAW_FILE_NAME=F2-03-22
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0019	COVID_Status:Positive | Sex:Female | Age:60	RAW_FILE_NAME=F2-03-82
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0020	COVID_Status:Positive | Sex:Male | Age:50	RAW_FILE_NAME=F2-03-31
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0021	COVID_Status:Positive | Sex:Male | Age:24	RAW_FILE_NAME=F2-03-56
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0022	COVID_Status:Positive | Sex:Female | Age:39	RAW_FILE_NAME=F2-03-92
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0023	COVID_Status:Negative | Sex:Male | Age:63	RAW_FILE_NAME=F2-03-25
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0024	COVID_Status:Positive | Sex:Female | Age:under 20	RAW_FILE_NAME=F2-03-09
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0025	COVID_Status:Positive | Sex:Female | Age:56	RAW_FILE_NAME=F2-03-78
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0026	COVID_Status:Positive | Sex:Female | Age:53	RAW_FILE_NAME=F2-03-34
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0027	COVID_Status:Negative | Sex:Female | Age:36	RAW_FILE_NAME=F2-03-40
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0028	COVID_Status:Negative | Sex:Female | Age:34	RAW_FILE_NAME=F2-03-47
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0029	COVID_Status:Positive | Sex:Male | Age:47	RAW_FILE_NAME=F2-03-77
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0030	COVID_Status:Positive | Sex:Male | Age:60	RAW_FILE_NAME=F2-03-13
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0031	COVID_Status:Negative | Sex:Male | Age:50	RAW_FILE_NAME=F2-03-42
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0033	COVID_Status:Positive | Sex:Female | Age:29	RAW_FILE_NAME=F2-03-80
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0035	COVID_Status:Positive | Sex:Female | Age:23	RAW_FILE_NAME=F2-03-103
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0036	COVID_Status:Positive | Sex:Male | Age:under 20	RAW_FILE_NAME=F2-03-64
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0037	COVID_Status:Negative | Sex:Female | Age:30	RAW_FILE_NAME=F2-03-23
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0038	COVID_Status:Negative | Sex:Female | Age:39	RAW_FILE_NAME=F2-03-100
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0039	COVID_Status:Negative | Sex:Female | Age:38	RAW_FILE_NAME=F2-03-63
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0040	COVID_Status:Positive | Sex:Female | Age:61	RAW_FILE_NAME=F2-03-67
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0041	COVID_Status:Positive | Sex:Male | Age:33	RAW_FILE_NAME=F2-03-95
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0042	COVID_Status:Positive | Sex:Male | Age:55	RAW_FILE_NAME=F2-03-69
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0043	COVID_Status:Positive | Sex:Male | Age:21	RAW_FILE_NAME=F2-03-17
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0044	COVID_Status:Negative | Sex:Female | Age:80	RAW_FILE_NAME=F2-03-90
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0045	COVID_Status:Positive | Sex:Female | Age:46	RAW_FILE_NAME=F2-03-52
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0046	COVID_Status:Positive | Sex:Male | Age:54	RAW_FILE_NAME=F2-03-88
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0047	COVID_Status:Positive | Sex:Male | Age:59	RAW_FILE_NAME=F2-03-21
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0048	COVID_Status:Negative | Sex:Male | Age:60	RAW_FILE_NAME=F2-03-50
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0049	COVID_Status:Positive | Sex:Male | Age:50	RAW_FILE_NAME=F2-03-51
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0050	COVID_Status:Positive | Sex:Female | Age:under 20	RAW_FILE_NAME=F2-03-89
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0051	COVID_Status:Negative | Sex:Male | Age:42	RAW_FILE_NAME=F2-03-20
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0052	COVID_Status:Negative | Sex:Male | Age:43	RAW_FILE_NAME=F2-03-59
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0054	COVID_Status:Positive | Sex:Male | Age:46	RAW_FILE_NAME=F2-03-26
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0055	COVID_Status:Positive | Sex:Female | Age:54	RAW_FILE_NAME=F2-03-62
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0056	COVID_Status:Positive | Sex:Male | Age:under 20	RAW_FILE_NAME=F2-03-32
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0057	COVID_Status:Positive | Sex:Male | Age:under 20	RAW_FILE_NAME=F2-03-99
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0059	COVID_Status:Positive | Sex:Male | Age:55	RAW_FILE_NAME=F2-03-86
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0060	COVID_Status:Positive | Sex:Female | Age:38	RAW_FILE_NAME=F2-03-10
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0061	COVID_Status:Positive | Sex:Male | Age:51	RAW_FILE_NAME=F2-03-04
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0062	COVID_Status:Positive | Sex:Male | Age:under 20	RAW_FILE_NAME=F2-03-61
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0063	COVID_Status:Negative | Sex:Female | Age:43	RAW_FILE_NAME=F2-03-68
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0064	COVID_Status:Negative | Sex:Male | Age:66	RAW_FILE_NAME=F2-03-45
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0065	COVID_Status:Positive | Sex:Male | Age:34	RAW_FILE_NAME=F2-03-12
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0066	COVID_Status:Positive | Sex:Male | Age:under 20	RAW_FILE_NAME=F2-03-41
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0067	COVID_Status:Positive | Sex:Male | Age:under 20	RAW_FILE_NAME=F2-03-107
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0068	COVID_Status:Positive | Sex:Male | Age:52	RAW_FILE_NAME=F2-03-24
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0069	COVID_Status:Positive | Sex:Female | Age:56	RAW_FILE_NAME=F2-03-76
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0070	COVID_Status:Positive | Sex:Male | Age:69	RAW_FILE_NAME=F2-03-118
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0071	COVID_Status:Positive | Sex:Female | Age:49	RAW_FILE_NAME=F2-03-14
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0072	COVID_Status:Negative | Sex:Male | Age:67	RAW_FILE_NAME=F2-03-54
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0073	COVID_Status:Negative | Sex:Male | Age:54	RAW_FILE_NAME=F2-03-83
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0074	COVID_Status:Positive | Sex:Female | Age:61	RAW_FILE_NAME=F2-03-81
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0075	COVID_Status:Positive | Sex:Female | Age:41	RAW_FILE_NAME=F2-03-75
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0076	COVID_Status:Negative | Sex:Male | Age:65	RAW_FILE_NAME=F2-03-33
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0077	COVID_Status:Positive | Sex:Female | Age:49	RAW_FILE_NAME=F2-03-94
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0078	COVID_Status:Positive | Sex:Female | Age:under 20	RAW_FILE_NAME=F2-03-38
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0079	COVID_Status:Negative | Sex:Female | Age:34	RAW_FILE_NAME=F2-03-58
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0080	COVID_Status:Positive | Sex:Female | Age:35	RAW_FILE_NAME=F2-03-105
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0081	COVID_Status:Negative | Sex:Male | Age:25	RAW_FILE_NAME=F2-03-43
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0082	COVID_Status:Negative | Sex:Male | Age:under 20	RAW_FILE_NAME=F2-03-98
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0083	COVID_Status:Negative | Sex:Male | Age:47	RAW_FILE_NAME=F2-03-72
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0084	COVID_Status:Negative | Sex:Male | Age:25	RAW_FILE_NAME=F2-03-84
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0085	COVID_Status:Positive | Sex:Female | Age:under 20	RAW_FILE_NAME=F2-03-104
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0086	COVID_Status:Negative | Sex:Male | Age:23	RAW_FILE_NAME=F2-03-110
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0087	COVID_Status:Positive | Sex:Female | Age:21	RAW_FILE_NAME=F2-03-01
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0088	COVID_Status:Positive | Sex:Female | Age:under 20	RAW_FILE_NAME=F2-03-91
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0089	COVID_Status:Positive | Sex:Male | Age:60	RAW_FILE_NAME=F2-03-97
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0090	COVID_Status:Positive | Sex:Female | Age:43	RAW_FILE_NAME=F2-03-37
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0091	COVID_Status:Negative | Sex:Male | Age:35	RAW_FILE_NAME=F2-03-79
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0092	COVID_Status:Positive | Sex:Female | Age:under 20	RAW_FILE_NAME=F2-03-29
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0093	COVID_Status:Negative | Sex:Male | Age:26	RAW_FILE_NAME=F2-03-08
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0094	COVID_Status:Negative | Sex:Female | Age:31	RAW_FILE_NAME=F2-03-117
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0095	COVID_Status:Negative | Sex:Female | Age:76	RAW_FILE_NAME=F2-03-16
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0096	COVID_Status:Positive | Sex:Male | Age:43	RAW_FILE_NAME=F2-03-11
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0097	COVID_Status:Negative | Sex:Male | Age:71	RAW_FILE_NAME=F2-03-66
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0098	COVID_Status:Positive | Sex:Male | Age:61	RAW_FILE_NAME=F2-03-116
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0100	COVID_Status:Positive | Sex:Female | Age:23	RAW_FILE_NAME=F2-03-27
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0101	COVID_Status:Positive | Sex:Male | Age:20	RAW_FILE_NAME=F2-03-49
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0102	COVID_Status:Positive | Sex:Female | Age:57	RAW_FILE_NAME=F2-03-109
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0104	COVID_Status:Positive | Sex:Male | Age:79	RAW_FILE_NAME=F2-03-85
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0105	COVID_Status:Negative | Sex:Male | Age:59	RAW_FILE_NAME=F2-03-101
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0106	COVID_Status:Positive | Sex:Female | Age:21	RAW_FILE_NAME=F2-03-122
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0107	COVID_Status:Positive | Sex:Male | Age:26	RAW_FILE_NAME=F2-03-120
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0108	COVID_Status:Positive | Sex:Male | Age:45	RAW_FILE_NAME=F2-03-121
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0109	COVID_Status:Positive | Sex:Male | Age:30	RAW_FILE_NAME=F2-03-119
#COLLECTION
CO:COLLECTION_SUMMARY            	Study design, participant recruitment, and clinical data capture. Research
CO:COLLECTION_SUMMARY            	participants were recruited and consented for participation in the COVID Biobank
CO:COLLECTION_SUMMARY            	of the University of Colorado Anschutz Medical Campus [Colorado Multiple
CO:COLLECTION_SUMMARY            	Institutional Review Board (COMIRB) Protocol # 20-0685]. Data was generated from
CO:COLLECTION_SUMMARY            	deidentified biospecimens and linked to demographics and clinical metadata
CO:COLLECTION_SUMMARY            	procured through the Health Data Compass of the University of Colorado under
CO:COLLECTION_SUMMARY            	COMIRB Protocol # 20-1700. Participants were hospitalized either at Children’s
CO:COLLECTION_SUMMARY            	Hospital Colorado or the University of Colorado Hospital. COVID-19 status was
CO:COLLECTION_SUMMARY            	defined by a positive PCR reaction and/or antibody test. Cohort characteristics
CO:COLLECTION_SUMMARY            	can be found in Supp. File 1. METHOD DETAILS. Blood processing. Blood samples
CO:COLLECTION_SUMMARY            	were collected into EDTA tubes, PAXgene RNA, and sodium heparin tubes. After
CO:COLLECTION_SUMMARY            	centrifugation, EDTA plasma was used for MS proteomics, SOMAscan® proteomics,
CO:COLLECTION_SUMMARY            	as well as multiplex immunoassays using MSD technology for both cytokine
CO:COLLECTION_SUMMARY            	profiles and seroconversion assays. From sodium heparin tubes, PBMCs were
CO:COLLECTION_SUMMARY            	obtained by the Ficoll gradient method before cryopreservation and assembly of
CO:COLLECTION_SUMMARY            	batches for MC analysis.
CO:SAMPLE_TYPE                   	Red blood cells
#TREATMENT
TR:TREATMENT_SUMMARY             	n/a
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were thawed on ice and extracted via a modified Folch method
SP:SAMPLEPREP_SUMMARY            	(chloroform/methanol/water 8:4:3), which completely inactivates other
SP:SAMPLEPREP_SUMMARY            	coronaviruses, such as MERS-CoV. Briefly, 20 μL of sample was diluted in 130
SP:SAMPLEPREP_SUMMARY            	μL of LC-MS grade water, 600 μL of ice-cold chloroform/methanol (2:1) was
SP:SAMPLEPREP_SUMMARY            	added, and the samples were vortexed for 10 seconds. Samples were then incubated
SP:SAMPLEPREP_SUMMARY            	at 4°C for 5 minutes, quickly vortexed (5 seconds), and centrifuged at 14,000 g
SP:SAMPLEPREP_SUMMARY            	for 10 minutes at 4°C. The top (i.e., aqueous) phase was transferred to a new
SP:SAMPLEPREP_SUMMARY            	tube for metabolomics analysis and flash frozen. The bottom (i.e., organic)
SP:SAMPLEPREP_SUMMARY            	phase was transferred to a new tube for lipidomics analysis, then dried under N2
SP:SAMPLEPREP_SUMMARY            	flow. UHPLC-MS metabolomics. Analyses were performed using a Vanquish UHPLC
SP:SAMPLEPREP_SUMMARY            	coupled online to a Q Exactive high resolution mass spectrometer (Thermo Fisher
SP:SAMPLEPREP_SUMMARY            	Scientific, Bremen, Germany). Samples (10 uL per injection) were randomized and
SP:SAMPLEPREP_SUMMARY            	analyzed in positive and negative electrospray ionization modes (separate runs)
SP:SAMPLEPREP_SUMMARY            	using a 5-minute C18 gradient on a Kinetex C18 column (Phenomenex) as described
SP:SAMPLEPREP_SUMMARY            	(Nemkov et al., 2019). Data were analyzed using Maven (Princeton University,
SP:SAMPLEPREP_SUMMARY            	Princeton, NJ, USA) in conjunction with the KEGG database and an in-house
SP:SAMPLEPREP_SUMMARY            	standard library.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	After sample randomization, 10 μL of extracts were injected into a Thermo
CH:CHROMATOGRAPHY_SUMMARY        	Vanquish UHPLC system (San Jose, CA, USA) and resolved on a Kinetex C18 column
CH:CHROMATOGRAPHY_SUMMARY        	(150 × 2.1 mm, 1.7 μm, Phenomenex, Torrance, CA, USA) at 450 μL/min through a
CH:CHROMATOGRAPHY_SUMMARY        	5 min gradient from 5 to 95% organic solvent B (mobile phases: A = water, 0.1%
CH:CHROMATOGRAPHY_SUMMARY        	formic acid; B = acetonitrile, 0.1% formic acid) in positive ion mode. Solvent
CH:CHROMATOGRAPHY_SUMMARY        	gradient: 0-0.5 min 5% B, 0.5-1.1 min 5-95% B, 1.1-2.75 min hold at 95% B,
CH:CHROMATOGRAPHY_SUMMARY        	2.75-3 min 95-5% B, 3-5 min hold at 5% B.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 2.1 x 150 mm, 1.7 um
CH:FLOW_RATE                     	450 ul/min
CH:COLUMN_TEMPERATURE            	45
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Resolution 70,000, scan range 65-900 m/z, maximum injection time 200 ms,
MS:MS_COMMENTS                   	microscans 2, automatic gain control (AGC) 3 x 10^6 ions, source voltage 4.0 kV,
MS:MS_COMMENTS                   	capillary temperature 320 C, and sheath gas 45, auxiliary gas 15, and sweep gas
MS:MS_COMMENTS                   	0 (all nitrogen).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	CUcovID_0043	CUcovID_0067	CUcovID_0092	CUcovID_0085	CUcovID_0101	CUcovID_0057	CUcovID_0026	CUcovID_0052	CUcovID_0098	CUcovID_0049	CUcovID_0039	CUcovID_0087	CUcovID_0047	CUcovID_0070	CUcovID_0089	CUcovID_0002	CUcovID_0084	CUcovID_0035	CUcovID_0088	CUcovID_0024	CUcovID_0056	CUcovID_0082	CUcovID_0081	CUcovID_0086	CUcovID_0062	CUcovID_0031	CUcovID_0095	CUcovID_0019	CUcovID_0102	CUcovID_0045	CUcovID_0003	CUcovID_0090	CUcovID_0096	CUcovID_0011	CUcovID_0046	CUcovID_0080	CUcovID_0071	CUcovID_0009	CUcovID_0059	CUcovID_0018	CUcovID_0029	CUcovID_0077	CUcovID_0065	CUcovID_0012	CUcovID_0041	CUcovID_0040	CUcovID_0075	CUcovID_0072	CUcovID_0063	CUcovID_0069	CUcovID_0028	CUcovID_0105	CUcovID_0022	CUcovID_0091	CUcovID_0083	CUcovID_0079	CUcovID_0021	CUcovID_0038	CUcovID_0093	CUcovID_0094	CUcovID_0006	CUcovID_0017	CUcovID_0044	CUcovID_0073	CUcovID_0023	CUcovID_0027	CUcovID_0097	CUcovID_0037	CUcovID_0048	CUcovID_0025	CUcovID_0076	CUcovID_0036	CUcovID_0066	CUcovID_0050	CUcovID_0078	CUcovID_0054	CUcovID_0109	CUcovID_0064	CUcovID_0014	CUcovID_0068	CUcovID_0030	CUcovID_0074	CUcovID_0061	CUcovID_0106	CUcovID_0100	CUcovID_0051	CUcovID_0008	CUcovID_0055	CUcovID_0016	CUcovID_0042	CUcovID_0020	CUcovID_0104	CUcovID_0033	CUcovID_0013	CUcovID_0108	CUcovID_0010	CUcovID_0005	CUcovID_0001	CUcovID_0007	CUcovID_0060	CUcovID_0004	CUcovID_0107
Factors	COVID_Status:Positive | Sex:Male | Age:21	COVID_Status:Positive | Sex:Male | Age:under 20	COVID_Status:Positive | Sex:Female | Age:under 20	COVID_Status:Positive | Sex:Female | Age:under 20	COVID_Status:Positive | Sex:Male | Age:20	COVID_Status:Positive | Sex:Male | Age:under 20	COVID_Status:Positive | Sex:Female | Age:53	COVID_Status:Negative | Sex:Male | Age:43	COVID_Status:Positive | Sex:Male | Age:61	COVID_Status:Positive | Sex:Male | Age:50	COVID_Status:Negative | Sex:Female | Age:38	COVID_Status:Positive | Sex:Female | Age:21	COVID_Status:Positive | Sex:Male | Age:59	COVID_Status:Positive | Sex:Male | Age:69	COVID_Status:Positive | Sex:Male | Age:60	COVID_Status:Positive | Sex:Female | Age:44	COVID_Status:Negative | Sex:Male | Age:25	COVID_Status:Positive | Sex:Female | Age:23	COVID_Status:Positive | Sex:Female | Age:under 20	COVID_Status:Positive | Sex:Female | Age:under 20	COVID_Status:Positive | Sex:Male | Age:under 20	COVID_Status:Negative | Sex:Male | Age:under 20	COVID_Status:Negative | Sex:Male | Age:25	COVID_Status:Negative | Sex:Male | Age:23	COVID_Status:Positive | Sex:Male | Age:under 20	COVID_Status:Negative | Sex:Male | Age:50	COVID_Status:Negative | Sex:Female | Age:76	COVID_Status:Positive | Sex:Female | Age:60	COVID_Status:Positive | Sex:Female | Age:57	COVID_Status:Positive | Sex:Female | Age:46	COVID_Status:Positive | Sex:Female | Age:29	COVID_Status:Positive | Sex:Female | Age:43	COVID_Status:Positive | Sex:Male | Age:43	COVID_Status:Positive | Sex:Male | Age:79	COVID_Status:Positive | Sex:Male | Age:54	COVID_Status:Positive | Sex:Female | Age:35	COVID_Status:Positive | Sex:Female | Age:49	COVID_Status:Positive | Sex:Female | Age:25	COVID_Status:Positive | Sex:Male | Age:55	COVID_Status:Positive | Sex:Female | Age:45	COVID_Status:Positive | Sex:Male | Age:47	COVID_Status:Positive | Sex:Female | Age:49	COVID_Status:Positive | Sex:Male | Age:34	COVID_Status:Positive | Sex:Male | Age:42	COVID_Status:Positive | Sex:Male | Age:33	COVID_Status:Positive | Sex:Female | Age:61	COVID_Status:Positive | Sex:Female | Age:41	COVID_Status:Negative | Sex:Male | Age:67	COVID_Status:Negative | Sex:Female | Age:43	COVID_Status:Positive | Sex:Female | Age:56	COVID_Status:Negative | Sex:Female | Age:34	COVID_Status:Negative | Sex:Male | Age:59	COVID_Status:Positive | Sex:Female | Age:39	COVID_Status:Negative | Sex:Male | Age:35	COVID_Status:Negative | Sex:Male | Age:47	COVID_Status:Negative | Sex:Female | Age:34	COVID_Status:Positive | Sex:Male | Age:24	COVID_Status:Negative | Sex:Female | Age:39	COVID_Status:Negative | Sex:Male | Age:26	COVID_Status:Negative | Sex:Female | Age:31	COVID_Status:Negative | Sex:Female | Age:41	COVID_Status:Negative | Sex:Female | Age:36	COVID_Status:Negative | Sex:Female | Age:80	COVID_Status:Negative | Sex:Male | Age:54	COVID_Status:Negative | Sex:Male | Age:63	COVID_Status:Negative | Sex:Female | Age:36	COVID_Status:Negative | Sex:Male | Age:71	COVID_Status:Negative | Sex:Female | Age:30	COVID_Status:Negative | Sex:Male | Age:60	COVID_Status:Positive | Sex:Female | Age:56	COVID_Status:Negative | Sex:Male | Age:65	COVID_Status:Positive | Sex:Male | Age:under 20	COVID_Status:Positive | Sex:Male | Age:under 20	COVID_Status:Positive | Sex:Female | Age:under 20	COVID_Status:Positive | Sex:Female | Age:under 20	COVID_Status:Positive | Sex:Male | Age:46	COVID_Status:Positive | Sex:Male | Age:30	COVID_Status:Negative | Sex:Male | Age:66	COVID_Status:Positive | Sex:Female | Age:53	COVID_Status:Positive | Sex:Male | Age:52	COVID_Status:Positive | Sex:Male | Age:60	COVID_Status:Positive | Sex:Female | Age:61	COVID_Status:Positive | Sex:Male | Age:51	COVID_Status:Positive | Sex:Female | Age:21	COVID_Status:Positive | Sex:Female | Age:23	COVID_Status:Negative | Sex:Male | Age:42	COVID_Status:Positive | Sex:Female | Age:39	COVID_Status:Positive | Sex:Female | Age:54	COVID_Status:Positive | Sex:Male | Age:41	COVID_Status:Positive | Sex:Male | Age:55	COVID_Status:Positive | Sex:Male | Age:50	COVID_Status:Positive | Sex:Male | Age:79	COVID_Status:Positive | Sex:Female | Age:29	COVID_Status:Positive | Sex:Male | Age:42	COVID_Status:Positive | Sex:Male | Age:45	COVID_Status:Positive | Sex:Male | Age:71	COVID_Status:Positive | Sex:Male | Age:61	COVID_Status:Positive | Sex:Male | Age:77	COVID_Status:Positive | Sex:Male | Age:28	COVID_Status:Positive | Sex:Female | Age:38	COVID_Status:Negative | Sex:Male | Age:38	COVID_Status:Positive | Sex:Male | Age:26
3-Methyleneoxindole	3041059	2333195	2775142	2112714	1869078	1407435	3579859	2543132	3054913	4715292	4374264	524863	5144144	2248197	2176763	826703	1343554	3262438	2165640	1650638	1246250	4752412	3917686	1353779	3498570	2589000	2582698	2577825	5331804	3145896	2535092	1576066	3329428	2585117	1762339	2354378	2197996	2170838	3146264	2317159	2564678	2731415	2085053	2201728	2063212	4177235	3475829	6386060	3266933	3259726	4872543	2309880	3959304	1805527	5926746	2144743	2959595	2928410	5489640	3729112	4218548	1385551	5715922	2127997	3568266	2922430	3946131	1813913	2908997	2154708	3605948	1997430	3228541	1530363	1762333	3063225	2132589	3205005	3802949	2507067	2380536	5951282	3551248	4907478	1141656	4579080	2673502	2589756	3277886	3311719	2591990	2636427	2129683	3554073	5603996	3157248	1918690	1948548	1277691	2644404	2597294	6585970
5-Hydroxyindoleacetate	72934	351560	79223	281921	183260	99828	218601	181647	105185	264480	331087	10554	72263	245259	320819	185740	219620	270166	247987	40609	75610	252279	116114	136684	134781	49437	47727	314339	373961	480055	97577	133317	142448	171958	204162	174310	69633	72419	286823	85297	287691	295235	79069	135984	245761	241339	189067	268040	269426	350793	291331	220296	813213	157868	178556	167850	134434	170553	401836	247379	121335	159533	247169	209784	241622	263775	675832	81066	181588	230652	143154	205383	146776	503331	66564	99704	186757	53436	198258	108293	79095	287453	90374	305425	75852	116359	104453	322061	253751	304725	84870	388711	265429	181790	178897	188842	78278	118841	238171	87920	151701	148195
5-Hydroxyisourate	2022157	1695295	3276346	1886115	8629948	2540685	1493253	682525	1044779	2109796	1688790	2134183	1374389	1941533	2050905	1541101	740889	2039905	2552198	3507914	1697864	2513458	4600578	1516484	2206004	2494232	1599659	655217	2360388	2471216	1917697	5792054	1574415	2180053	1700853	2074856	2892572	1374756	387221	1864378	1344846	1571791	1481918	2399724	1789455	2489658	2991825	1749607	1655550	1680372	3901498	1779986	3529690	581156	1959525	1568471	920259	1946720	3016588	1947410	2628104	3545718	1990253	3119717	3141847	4128047	1783636	3739712	2100112	1144178	1759631	740080	1529241	467415	5573964	1136993	1363551	2976205	1738134	968052	1436448	2613251	1774311	1592270	3274180	1132854	3219855	819354	1465938	1663833	2047198	1180217	1545081	1204310	919267	1232939	1373265	1821337	1359854	3897001	2402955	1591303
5-Oxoproline	9302491	8429695	14386400	10290000	32872480	13808240	12232630	9471081	10608320	15403230	9733312	11416980	12695560	12120750	10281370	9456638	5949852	12361020	11618690	14199160	7602868	12423300	20286510	9047989	9432559	12978620	8539921	11285260	10268420	18705760	9493892	25762590	7882066	11934520	9614853	12901580	12239660	9286948	26738690	14248450	13061070	11958500	18491240	11953840	9596385	12428670	12828610	10314540	11933460	9731948	12559300	8022418	17137830	12520460	9658944	9353056	8426944	8751399	18979080	9242825	15452330	15994750	12677890	15686930	15636380	22649840	11089630	21571070	11425130	6645350	9598279	8518252	9411049	7405008	24985020	12675200	7880532	13598040	10776290	13859890	13294980	13056420	10316870	10268280	14675210	11000780	13658410	8319636	10166230	9466209	11662860	12970820	11129340	8240722	16593300	11078640	12067290	11871460	8979729	16935890	12866890	11307140
6-Hydroxykynurenic acid	19953	9695	5675	9273	23183	2572	119421	39788	33282	102313	9383	4377	60757	13256	10901	14867	21476	22183	11496	22754	8390	15872	34547	10885	7912	23006	33440	58353	13423	92001	44830	10337	31934	40987	6245	13319	17476	49571	419556	57620	15801	59778	113341	45785	27612	31085	14087	85843	73247	50161	23006	19301	15919	95655	52880	8036	61485	36607	19508	6693	43386	82047	37723	5560	37965	56556	14075	15331	45516	34440	81220	15508	17018	28869	15718	82346	11890	52143	92423	71670	51191	63839	30468	58706	24259	79456	36026	9995	17265	32462	54556	38607	40033	43916	55867	54665	51636	23197	34255	196239	3986	42085
Acetylcholine	30128640	23296880	28339020	25935870	31820200	15144940	19648870	19343280	17192560	32139630	18548190	14721890	29232050	28902520	28649130	19517150	20653730	24372100	24443690	19361630	19868610	23299250	31335840	27426670	21770000	22901320	31263490	27301150	47351780	40993470	21827310	12099480	34463900	30271370	23381290	30168660	36985740	20153780	26970590	18845400	26886160	19143120	35295130	24948170	32143670	46297180	20124550	20812280	27215150	20639230	51807970	27984120	29233820	31456180	18246130	19813240	29259380	22686670	34549920	38685640	28695940	24105730	43838540	26418680	35136960	36967040	28606110	24595250	22157550	16425980	53849280	13656690	19297550	11594420	26737370	26264870	21185660	29124730	18010380	17586130	25925490	28545370	15866120	38392700	23751910	31310970	18751540	43127460	23195350	16819990	18893930	30621820	27805090	40933100	25483970	37204850	27581680	22225060	32116050	20693490	25597380	22155600
Adenine	9759537	9635473	13511800	9432123	12324980	9580869	7876794	9427497	9220783	12316370	9820021	8869033	13461430	11512410	9230854	4706830	12402940	8205100	9192722	16012020	12361540	8926517	10271400	9058754	11178310	10179120	13239840	10347480	10245680	8835417	11627540	10456960	7827956	9430711	14470890	11002450	12643120	9686267	12227110	11079680	11400960	9834055	10495660	9755163	11114480	13866390	11791190	8854456	10980670	8826197	11572670	10661790	7017358	12535210	12515480	14292870	9975397	9904895	6835816	10571880	8819000	14071190	7002952	11144090	7825770	8766817	8176974	8836682	13062540	11522090	12609040	10538760	9382745	7843622	14669480	13269120	7653516	12158510	12513390	11415000	15912780	8082022	13023500	8008978	12654560	10341900	9757827	10498190	12071860	11713520	10394350	11547050	12144620	8222496	9607787	8009562	11915300	10512530	9683480	12099050	9227813	9907381
Alanine	30948160	14579370	18922650	21872000	26019750	12327040	22870160	15128570	20082790	33243880	24188100	9001131	24911340	15497690	19799470	17066070	16051310	17761080	19063130	19356920	12824510	24328640	26087700	12105340	15527360	20512470	23727780	15925360	17742830	28409300	16423110	20104310	17975070	26514090	16865700	10169990	16166520	17601150	21099890	15416260	16097280	26697360	26270120	21668230	22654020	19262190	30923920	33644640	30943920	30132280	26818400	23717210	31942240	10883080	20463580	14156280	17528070	13217110	53699920	19269830	29067540	26225750	20751310	20745010	29087900	37632300	21459990	17271720	20525630	21031200	28400640	7811026	18547730	10038190	18875510	23323910	17775260	29991020	20564860	16271200	21806750	27071280	18693500	20998880	20216520	31396020	17383470	9841573	18253440	24896380	28392470	19870440	12535310	23123730	24748110	16063480	18144300	19815320	16330570	17973210	25086890	22159500
Anthranilate	1749138	285339	191746	301953	235200	165085	701553	329245	445163	393342	1082762	131549	228017	823459	696512	174551	249876	382945	254522	282645	228764	382870	146998	242209	316543	1127227	4809096	103449	324085	309318	200465	299904	299635	282287	767118	132868	807352	378452	393793	148156	215834	393136	559174	321429	200595	3288495	357596	648116	1855478	771560	222397	587217	648569	659625	2648465	4659513	501235	1348268	589870	312260	1749374	179987	948133	257272	410901	500736	283226	218187	12494230	331957	3259530	336704	365605	180618	702196	255416	384253	487817	207559	287228	571070	640189	295900	609525	179243	2097031	238286	186177	1427854	553369	300931	484946	184002	396333	366245	2628664	301004	224042	482646	246071	571799	432140
Arginine	286218	303774	98362	359593	112849	294516	946974	118282	204701	428114	151829	96808	119365	178798	152392	145862	36512	859136	209108	54951	82412	234268	337489	127358	60347	122214	125318	234731	180828	661856	300631	187558	227350	374062	197983	81799	62290	53905	181718	254845	107500	411007	126595	141108	97004	154209	166043	1031995	187910	1092719	633901	90416	1228558	182860	269853	127413	376248	90309	3879577	205717	1028530	48998	776640	65992	840137	5235478	609203	272820	148441	85253	676357	110494	178338	271099	90843	87179	435172	57678	100883	90719	104621	452443	59686	1112055	90439	317540	62267	80081	199376	588387	157422	169657	99033	700669	295181	855987	68400	180139	178329	114397	307327	94516
Asparagine	970467	894608	2001099	1033222	11340	1332081	1465535	738654	414064	1200814	903931	775315	1072594	1107900	1113862	1464917	1009370	870032	1442664	1011656	823843	714149	1950486	946074	31026	1310667	916048	673430	719335	1351065	1140705	1810639	917261	1583385	1072283	818712	1275850	600041	843710	1072943	813617	1324345	1265247	888458	1408637	1321576	1418306	1119449	719530	1122378	1004269	1135966	1007832	676225	884248	933694	642679	629228	2294173	848912	1071453	1209487	663111	1097892	1206614	1757624	806271	2594637	819231	1291067	2224378	450131	1007492	574617	1920269	842090	705526	1029253	775956	637278	928980	1210778	914254	506334	1684830	670255	743455	662360	1033007	1197560	960323	1249035	770303	854421	579145	995501	768294	1367760	957669	1005613	800817	882249
Aspartate	492517	2169853	8233262	2189988	1666076	6269098	3280178	1107384	2763634	632799	429101	6209118	2494595	7107626	2193620	2295428	278392	3403903	5495952	3233475	1071824	2643831	5187764	3994593	3793012	1440430	1960016	219128	2310703	1992235	5546086	1731216	950940	2634256	4284820	5031272	3841939	1007875	2542627	4603232	2880239	5240422	4709844	2650536	572932	5469284	997737	3107972	2319714	2820577	953545	1005656	422915	3975458	4015035	907439	1268058	2480063	2856060	3182552	1500208	2843556	7759488	4601270	1111198	2664471	1170032	2485447	1363721	304290	5532596	334003	2076517	1724928	8368002	2494178	4600882	148979	1089333	3568465	380236	3072366	1349502	949550	390430	210835	4415244	3372445	1601317	3804895	304942	637027	1330330	3623106	257704	3211484	1059864	4870030	4172131	4131861	2822826	1307686
Carnosine	752286	292469	87679	267008	172645	100105	148992	151653	209039	574655	171380	104895	367487	143778	301144	232705	413647	208431	241475	153436	242941	216819	699789	193277	73504	270383	497353	153343	454005	180422	298231	145910	253314	281450	152264	113361	192606	105351	150209	161983	197836	233221	432916	472971	138465	218913	153870	275967	313979	246957	434437	297439	438179	280575	293687	353201	187050	319990	434774	299529	333280	128639	304065	144545	215431	306961	136084	211915	534402	423106	548718	86108	359990	111690	243964	160856	162053	170137	256596	322537	58677	178125	182473	164469	374512	268195	74648	196529	308338	147110	186557	143400	168330	241698	211442	293058	139568	409271	212252	333643	260106	299786
Choline	129146700	152743300	70675020	66286010	65469120	31935670	83395980	84647310	73979240	99484140	105882200	14642830	99206520	100424100	64543180	72812150	117003800	84149940	51920440	80210910	45647920	103277200	43093810	44396520	58074220	55296540	77210050	47549200	51922940	40660000	59869930	47788080	43218070	87255910	60395280	43558830	61060480	80064860	70536170	42460460	46958890	142639000	75780270	71973130	41637160	69863140	65962170	72820650	78448730	45129420	74755820	94391550	153647400	208209200	89474420	133396700	71947270	115792300	71645880	53445110	116787300	77217360	38401400	137440600	92902620	146540500	126671300	135410100	78708340	118218200	101625200	78962500	93889800	29308550	63096440	125127100	27156460	100745100	66378600	59806320	67392300	53587240	47694130	44800640	71799000	149329000	99062570	66404400	229128100	82657180	59713360	53103400	48953360	55627550	63998780	144895700	108339600	65112880	96733860	53078500	76599840	72186320
Creatine	1946030000	467151900	370283600	494446600	253962800	229834700	324400700	208841800	208024300	870794200	321450600	176944600	150204400	307045600	482102500	463677100	485439600	580301000	717159700	495634000	311282900	741405100	614607300	151857200	125975800	260116900	537877600	204591400	511344200	830000100	249990000	435180300	432971900	647272100	223381200	259499300	354325400	390144100	272471200	262657700	297250400	447271700	228565400	553013100	450310900	751335900	376552900	561978800	468040300	324080900	655516700	372238800	1137837000	520720100	309099500	445552600	224053900	617936100	527719200	516874100	723728700	335121000	642279400	417097700	621596200	1216041000	688457200	441170600	446141800	244879400	1212561000	230829600	309313700	200504300	240609800	255947100	144012200	426930800	300768700	209962600	237802400	323458100	171529300	458282200	376084500	746721700	402177700	326416100	685949100	264305800	174599800	408979500	209898800	228668000	651363200	501709700	273108700	201488600	396758400	485540200	930759500	385327400
Creatinine	23257270	64714860	28010290	33130230	29731980	31857510	36392140	42326580	55271710	59335200	39098610	14382620	47036650	87808420	40678140	23201870	55909540	35678940	33296700	16423680	45340410	61239920	32417410	37370380	32535940	62246300	50815060	34179720	33563470	42584040	44511280	27991180	49333280	41908690	173133100	36960640	24167640	28501200	43087900	33283500	45828660	31958530	68677780	49253530	35926010	45568640	36712440	55175080	40899390	49153280	47723240	46220360	31405300	370825400	42568840	203481300	42501880	43015470	52623160	31262130	43080570	22382840	54908400	54940450	104338600	137118900	67786180	32415220	49506910	39263370	186538200	17567230	36512980	11182470	21861420	36751810	30659310	65315540	33173860	51571070	41461590	81497450	39220380	44087010	31717330	58579740	30887720	33281740	67593860	34371780	41995240	87995910	20315800	36194940	35259280	310560100	32353010	67991510	34974320	38515810	38721390	36289680
Cys-Gly	1902776	2809615	3571392	2686653	2366609	2500074	1828752	815484	1325800	2180593	2293466	1738341	3865306	3769048	2223927	1052357	2034848	2327710	2336015	3372535	1998228	2495127	3068319	3732934	2664471	2645927	3402971	2516162	2525644	3291589	3486941	1622325	2620975	2621234	2784704	1900479	3235285	2531803	3509989	3467960	2004134	2702365	3554273	4142588	3044035	4378612	2217962	2068527	2261919	1390022	4115650	3110185	2587760	2742645	3269408	2669973	3062630	3255610	3739444	2878188	3995242	3345639	2944916	3287502	2675189	2242978	3293278	3047070	2100320	2411790	1795798	1777315	2537232	1205007	3935371	2955760	2118713	2657555	2761121	2806751	3664620	2749255	3002535	2503391	3048683	2719119	2116162	1407202	2016872	2421808	1864808	2166266	2598446	2426084	1618548	2397212	2760679	2977274	3514508	2728160	2406753	2854122
Cysteine	116278	52771	137578	155945	116601	188130	432981	271825	511506	95738	97140	143726	142087	164702	92953	103498	42491	326280	247153	33471	31400	189189	238502	71399	59019	138183	97566	81741	97729	106293	138840	142868	196232	83106	109152	64515	91292	160228	290994	132181	104813	143832	62489	28920	112323	136151	107661	394912	97282	153035	171200	50515	129757	122548	198005	85307	201648	28594	435089	77560	375631	45588	745971	111196	221829	225127	99272	308433	74616	115453	356483	123161	297133	162745	136914	147064	280661	118886	82877	113356	106491	628504	108866	786383	94067	278352	91507	96439	98990	140667	150394	81775	113672	139499	233935	1006248	120803	115517	114333	91731	100180	96881
Dimethylglycine	3582005	2301023	6190026	4504806	2719958	3790626	5974656	3318532	3909400	5986166	3336155	1858700	7318590	3609609	4106350	1888572	1578745	4574408	2952308	3798320	7175708	2922842	2639249	2339450	4980059	4329346	3235852	5638380	5169206	3787723	3763372	5109706	7037850	5706562	2997991	5328806	4059267	1779302	4681054	7608816	4867604	3919933	4337150	3249281	4869484	7804068	3518261	5279614	3431064	4790250	6439070	3110998	3312240	3905588	2770133	8637704	4030835	1506719	6157048	5049188	2581131	2366696	3995064	2004600	7137022	4331783	2150424	5536926	2944245	2142624	4953476	5009146	3881420	2661657	2091203	7605902	4056223	3251787	5767786	6516886	3154701	8193360	3840062	9372028	2159824	3273734	4184661	6225424	7407598	6345468	4505036	3408291	3817220	6025964	6134118	6630804	4621636	4394488	1209452	3945633	1500949	5050624
gamma-Glutamyl-gamma-aminobutyrate	35946	447226	60988	144356	91496	292167	41652	44423	33472	57162	20619	12576	45992	748893	259659	65781	45287	99763	35829	20103	14176	57337	125422	57601	242185	75288	69361	153892	179131	310525	55609	30501	95799	88634	124528	603172	110340	32212	265048	105673	220288	71901	217919	176445	39159	159084	20791	78932	43117	29299	126876	256176	111922	291626	72708	501596	47098	44252	69718	96857	105038	105243	81110	199237	68442	81415	148242	129399	53782	57957	100329	39027	49322	75365	43142	69029	34008	26299	119218	91587	24859	33471	23764	71277	141712	44655	145009	43090	370839	26399	33555	312387	98731	31172	26425	209800	51878	82640	94456	107896	93251	50543
gamma-L-Glutamyl-D-alanine	72112	186975	90247	128288	76584	227797	157737	29472	74560	121022	65525	19828	58315	139331	173782	116616	110989	215856	84284	37882	8392	59872	38674	123303	65514	18028	59822	91718	168646	362608	38538	54900	17042	73013	168851	113853	17252	61589	105636	76549	281628	112767	28077	80304	110042	87458	86322	84046	69735	204057	117295	180847	105776	45438	111603	26747	117835	98253	535501	101974	83687	76913	74025	82678	63030	213333	121959	107971	45656	138600	8703	59992	53915	138260	40946	62068	124630	20025	65875	53525	19595	58531	55293	140790	64147	39943	50808	103643	27649	119902	39116	155988	144426	43214	26730	141840	14851	92809	145617	103653	103134	61483
gamma-L-Glutamyl-L-cysteine	281394	347320	2304317	410448	1304353	245942	95997	50120	53680	2473829	462260	644113	1909246	949203	169697	842909	901394	136935	549804	1420648	1095889	543901	161004	575258	1818199	801310	2181754	1765517	713869	477247	2103241	577936	101607	996848	1044773	339751	1569851	1188113	4769534	2365418	1096727	1331188	3187087	881172	434849	1109736	590566	118044	2526160	6194	767282	512247	541721	3822243	3197911	1712627	2296913	880320	202963	804328	570184	2008678	101595	1187350	987062	311590	550866	679660	1259790	1754492	1421280	464525	100614	48939	2956148	4362246	208472	3135358	2334370	3334112	3885345	200812	2626937	72421	2028466	2198042	971384	708429	766031	648379	1017880	2106430	1714828	168836	234277	124155	4984724	1662403	375279	2741452	457586	623759
Glutamate	12520560	5687022	12263790	8229746	17001270	10609870	26629810	19581630	6157582	7241168	8371718	6183626	12075950	15406700	9900005	14818600	4151055	9458307	8659092	9195633	3726792	8854219	17701450	6168254	4481814	13760110	9161571	4617822	13356110	38793160	10502720	19532450	10619440	14532330	8569941	5948874	10011140	6490728	6390642	12436270	5869380	17222270	14058120	6908728	10112870	15756700	9493935	9991319	5932090	10953810	15473080	7033530	18811290	5247274	8490087	6019958	7160922	6491802	30169240	5603868	21826810	12069750	17788610	23789220	10349440	28387340	20772910	31372940	8515967	6023566	9522217	5387536	8841721	10687040	29391330	5110096	6225626	10336370	5542272	5284702	5521676	10538880	5438246	8256474	10051530	8230430	12331040	6098786	5619936	11390390	4115627	10371600	5759360	9982995	4379663	11149070	4639984	13074050	10777800	6332682	18848270	3823777
Glutamine	8753661	8949544	14841280	10594560	35196200	14298140	6496774	3901023	7697584	10382300	9501443	12063380	7327518	8707109	10063800	8207658	3824109	11711910	12641910	15486160	8540673	12747820	21457620	9441741	10157590	12433060	8135660	3375817	9078249	10563850	9679979	28413030	7029820	10209730	8415187	8109610	12269880	7209786	2141170	9092619	6708312	7239606	6646382	12522440	9164268	11175470	13225140	9890553	8416115	9101779	15380230	8986486	15351680	3258976	10108410	7235842	4456770	9488405	13718970	10271630	13298360	16403100	9779201	12358600	16407570	17495860	7309258	17540300	9148459	6410206	9354693	4379924	8214954	2295758	23471670	5987408	8869888	14428500	9256131	4778046	6635014	12602600	9722617	10057150	15735740	6360116	13274160	3760741	7673818	8331096	9279555	5747384	7085154	6455170	6376672	9276820	6958306	9356623	6545014	18285720	11352970	7752690
Glutathione	177763800	280238400	362430900	256879400	231943900	249052400	178306400	73940310	136874700	260608900	236010400	168449100	350882100	348482300	210168600	114129300	208792100	229229000	198136000	340194600	218225900	239909700	296571400	339420800	249027200	257568600	343095400	290365200	230530700	326398100	336164300	150813000	250049600	254943900	279086200	226584200	296639500	254858700	342201600	310303100	206865900	272559500	335935100	388434400	298868300	445910000	238502000	203206100	227953000	135420400	392259100	318981500	251692000	268094800	324009300	265446700	292605700	321354200	358927500	278508100	371025800	341275000	280312400	343733300	264218600	233102500	318639900	298310500	202257300	242878700	194035600	180684900	248915700	106675700	365903300	296201100	197759900	244888500	284816700	267122700	377217900	261125700	307425400	242942900	286384800	270099300	206669200	131808600	197073300	236913800	173510000	212771500	254374100	232383700	151648100	241256600	268180000	290629300	322935600	276073700	245731300	261246500
Glutathione disulfide	21511950	6793320	19124180	12295940	33112740	6242048	27582450	59462260	34275680	18323120	25052970	7202604	20743340	12104190	43212960	13346200	7057588	14832420	18744260	26557060	8647123	18266240	21866730	2943553	22602470	12336080	25153890	22013520	14990370	29280850	9629949	42264460	33066490	17009890	21084010	34189370	20377910	10810100	6297742	19183190	25967620	13494620	26079100	6012804	12020110	29124150	46328720	17122620	17606990	51253750	33855450	9883123	23029740	10690830	10695280	22604130	8720731	6600536	10749640	9580669	15298780	15472450	27874390	30740040	16695840	28289180	12046560	21670620	21851530	12728350	15741140	17077210	18090220	16546400	30376300	6802812	13575590	9581239	10212620	11106320	18507260	26119420	14517790	24877210	11072120	11121970	31735990	40410770	15911650	30990370	12248960	13961500	17119130	26038640	16496200	17329480	10994960	18398250	21490380	10469990	23298020	11390540
GMP	3478918	891356	2993324	991992	6225112	935088	245897	736105	68583	2322538	2777274	925523	3268435	1541442	868178	2357310	2363595	148208	1014297	3608007	2062879	654119	466985	727783	3565495	1312401	3835353	3049950	2415814	271405	2438096	9206600	198022	3451640	2007774	1422257	2753917	1439389	2377084	4445912	1743803	4979448	3880551	987016	966244	4450754	6695106	225101	2912980	51884	2954895	868359	3786197	3301654	2702031	7317022	1584520	890760	407378	2562375	1193508	1466012	100399	2631561	2196270	4786290	1355067	2451304	4214628	2059729	3758268	1899405	170588	158320	5661806	3367132	480857	4253416	2779122	3730675	3076474	333941	1962857	270465	2089490	2040913	2059656	3856311	4297688	2692907	2678323	3202346	3065470	528305	387954	554357	5191072	3578899	319955	3129526	1862788	655119
g-Oxalo-crotonate	3294351	1005292	341355	546762	275597	588535	9043	468344	22207	7381	983945	263117	296918	152315	795733	1032744	334666	127257	728943	365842	523787	805942	218138	178995	201468	363134	76487	307477	222718	1790894	1045262	1669991	75412	1346992	692922	139284	391946	0	2876	678862	243222	752650	0	7883	446456	799571	521435	20971	122261	507630	482814	586985	2620930	896961	5315	1089140	7754	5818	1627273	273703	1261357	0	9738	183362	1325005	2974243	1208713	1093869	10335	985335	252104	1362668	90971	68210	226901	4404	249207	0	0	0	92652	5985	156681	127042	489478	380929	2436	1867162	1038051	2027183	3661	147328	71754	266229	6640	744145	3090	1072637	4087	0	659264	3384
Guanidinoacetate	401994	204462	102738	217139	961897	156267	349745	881818	317513	250194	361616	96437	200314	172804	452309	40146	112105	412390	253441	140505	247114	396604	545358	307678	190783	640025	385152	88381	1343174	315093	211109	211172	217251	456782	366963	160530	230788	171751	87657	242365	77276	269700	449475	470184	127994	203510	373952	351916	274984	525017	333819	216921	343700	259777	457544	159371	202148	307495	686198	248198	195818	218025	562080	432432	357514	219358	177890	468414	963538	189759	387605	129245	243429	80819	51478	190982	200246	350894	221392	229640	121036	215066	226838	331330	155685	347806	165441	81382	191151	508590	449146	124741	176745	547498	118732	302008	151762	140371	250403	220519	271643	257228
Guanine	3734988	206467	1422510	202373	1125708	136546	190706	106509	69747	423263	536563	184143	591817	367906	147480	580905	467815	150810	327950	693002	1170131	1714660	141965	225764	570366	236437	648715	631019	331754	254769	454732	1906537	121855	894566	804753	269761	592997	209433	367552	869756	349073	1042178	729459	172590	229295	2125031	1295440	233048	503327	341279	624297	175341	1265911	568261	499304	1709618	281012	158367	584213	504569	216334	240191	219783	679783	536829	2309902	424858	366903	517188	379252	661555	381424	229527	86771	2048467	690456	126607	834834	504178	644522	677265	224682	411121	213064	372857	355779	312850	1062249	1141408	1236777	412740	573294	603460	251560	132320	176731	1025032	597230	79232	492211	262585	197620
Histidine	4368872	6011076	5634046	4651928	11976050	3887965	4880536	3766998	3954606	6569494	5460173	2575971	5882720	3967130	4124534	4341282	5777308	4577060	5133721	4602112	3485440	6380966	8186858	3673238	3890526	4210374	5219982	4321794	4418962	5222994	5427320	4721970	4155870	3828651	4289074	4464344	4076686	3501173	5420544	5202970	5103868	4195956	4887910	5002951	4641052	3852619	5924984	6562522	5374146	5560514	6513066	4977441	4945862	3293613	4698066	4324365	3656666	2324731	9437441	4585288	5148962	4405454	3928100	4633382	6492804	10331780	3220773	5603546	5212602	4641218	7334262	2718110	4484042	2998940	6199716	4583414	3298775	5235630	4162181	2845694	3591942	6277820	4268223	3521381	6214764	3882703	3713699	3435713	3597964	4966414	4691648	4934788	3211087	4872716	3908952	4771734	4248338	6242316	3924363	4856124	4425808	4441834
Hypoxanthine	230697400	69089600	40850710	46826520	16409440	28339950	13620690	25803630	2587258	15671570	84092020	10871790	29104690	15187710	45804080	50334130	23430870	12498970	58525550	17322790	9361478	53086900	21255550	4111441	25333870	29954680	11361740	39169600	31736600	104028100	51849120	63951310	16986690	88424020	59800200	17299710	41626400	3945046	22882120	55267750	18488780	65977210	9734815	2547488	17524570	62899160	39253050	13730670	37026410	20545150	77374540	20708670	210678300	47380750	17391210	101272100	15129820	4286396	45631640	25066980	26134860	1513271	3555507	16364400	58357410	181202900	131243200	74399540	11168390	43792290	26618560	49683340	10599890	26077260	18233300	23039530	26020630	7053482	8537395	14169010	15246060	12972510	21726110	13423320	28222430	42326670	2996169	136132700	95574700	106501400	8299282	29041310	20775360	39493260	6941742	22193270	15674810	88847930	3487975	9391899	58455550	3788314
Indole	1122647	894676	1104488	786016	721496	520215	1364782	977185	1089058	1742362	1737243	204722	1930746	885411	863702	336110	500337	1282696	881500	482546	618589	2092100	1440773	466347	1313842	1182246	1030368	991804	2425380	1212421	926987	604837	1349549	917552	704933	931414	822856	557353	1178578	865626	961976	1543402	1036776	711389	719793	1515602	1828994	2150900	1216236	1218954	1680992	846712	1155897	645984	2862874	893802	913237	730345	1546089	1382789	1363696	642284	1958302	828759	901195	1816359	1469321	781784	1068801	808559	1330941	771467	1177752	582451	980456	1174434	799362	1467996	1725283	925149	839315	2357946	997323	1829602	595592	1427872	1045615	941260	1199449	1232794	724484	1027795	810118	1433962	2194946	891492	738995	746302	530542	957989	1004380	2544915
Indole-3-acetaldehyde	118269	95072	115602	102663	98978	47655	150411	104900	127245	200421	174621	38896	209993	113001	97212	47186	57508	109630	98842	67569	59731	186446	164747	64917	160059	140511	122699	115043	175722	146922	103758	74136	140315	121449	83900	103777	103749	96282	123920	113300	119854	132788	128805	100137	101945	191173	190039	275834	161806	126449	196656	95675	116640	75274	254434	108000	110692	163355	250102	165558	170301	83132	272568	86377	167251	150013	142833	99065	133204	119792	168065	79315	149847	64360	66515	133892	81671	195099	176075	105342	93370	241540	117476	226889	72600	189163	114879	120760	141078	172509	77842	116986	102539	144603	189614	147595	80593	95531	63116	114475	122090	265794
Indole-3-acetate	40842	38952	27406	37094	8424	19323	44643	99197	77780	69996	85712	10925	63494	79128	19409	5236	144448	111699	22752	15142	18829	81454	70577	8971	37389	115678	30572	66175	59190	33266	31977	55501	104190	38531	47711	79483	64471	36604	83089	15350	46850	124154	70380	76470	49310	55544	32391	233346	32302	86257	77782	29036	91603	47843	130116	100074	64331	16346	36028	51830	116129	40115	27545	23270	107753	68363	56650	17155	37624	32155	61905	41140	41679	53116	21332	26977	28863	104907	71149	93468	75205	102882	31335	106238	34503	105178	26028	19436	51414	32373	55747	60212	31791	41465	156012	577133	41179	79411	36634	19914	60663	96802
Indoxyl	29780	67076	102673	27725	49872	10133	9146	9015	11807	8875	16477	14592	90934	87477	3650	55802	441378	17483	8318	7275	70601	115726	0	8132	21300	8184	24505	406539	109419	12682	90984	7665	38427	89980	76748	53290	114492	296767	26831	47494	98348	7684	78881	35170	16297	47800	46330	25734	15358	11450	40773	20927	11702	51789	113462	76737	10557	14039	8495	37469	47076	11090	8248	46581	70415	178796	20836	5338	49578	19980	120692	57777	28228	83917	31348	6531	20190	33453	44173	26669	67759	31225	118738	7759	211026	28000	6282	55750	6872	15706	10290	15588	10238	19961	212722	231469	12975	24675	192309	203197	34963	44591
Isoleucine	3927165	6713594	12451260	5065596	2964629	12256840	13043630	5978256	7392266	14122710	8741850	4372900	6364020	9830517	5370146	3030994	4841903	6164132	5310644	9020158	14121440	5585944	6797910	5400146	5163082	9354972	3780719	4173985	3714979	12422050	10200270	9267837	6091338	10141550	4738144	6923254	6640444	5694304	11091910	8582561	7508062	6614080	6172768	11072860	11244620	5994094	8332322	9730855	6858826	10265290	8372818	11687020	5283286	12195850	9639717	3507676	19422620	5775214	28907760	8328164	17274690	5984042	10442720	3994852	17327090	16610620	4331744	17799000	5101140	7604978	9573976	5021077	14509020	4084033	8694459	5339500	4019547	4816780	9641025	8388705	4484610	7659280	5782796	9238522	8587391	7626854	4346636	8160810	3360543	9679027	5719500	6399976	3437212	11292020	8438527	13830140	4418208	6164730	4546454	5762028	6543940	11386760
kynurenine	288506	537925	236901	910215	222002	109182	595946	201037	491121	351855	232125	167959	491570	878679	282166	620974	286513	346234	187150	257398	1369421	715037	186425	91175	236584	245713	522531	441054	555012	305537	448474	241863	444195	451754	646302	562604	246936	422721	490710	377191	479979	525112	406542	332939	224837	1743024	272265	576846	199583	136986	373650	242770	348087	668091	296676	390098	367780	226025	152226	448512	463830	103393	602119	148734	282496	1030876	393132	114209	210333	102660	595690	2005012	411411	2152170	412800	451223	351177	398858	583491	672780	415570	672691	399703	457475	201747	310764	574691	425813	351292	261903	337705	577966	306752	361048	576140	893448	405614	457861	242361	725611	331762	218429
L-Adrenaline	2396032	374620	109391	750176	77470	323635	441989	1553037	1916492	819883	328225	239223	291009	264798	1117716	168652	409243	1390498	116786	135723	141982	308966	577633	177959	182371	396315	268122	428060	623781	475046	179009	227960	436345	814395	269051	110409	195740	681618	235388	270420	514660	728275	320215	683817	100911	870204	314122	1026924	238071	1131907	592023	342316	2364998	93106	221158	242393	466356	426449	787265	203087	1281258	131769	1699466	376420	797848	441282	732412	227920	836858	179527	645069	420166	364962	175448	115479	211109	678404	595703	468321	351350	377404	1204836	477084	4123817	130739	1035810	428161	236012	1006330	312286	246563	223480	259592	732436	817715	979851	113081	430912	779106	586746	880399	424501
L-Carnitine	276260400	36660490	8477192	58732810	7878680	33398360	59960100	75223820	52393500	77424980	27208700	17733800	31193570	34254560	94690260	19551340	65871940	87805860	11341410	17491060	13579240	15464340	81702970	15952950	14718980	44843850	28926150	29090750	77977530	51172440	21543240	13108760	43176220	86537660	34255500	10622780	21046970	51469450	28293090	25472910	37618060	71924790	38809070	74444060	16993660	124362200	44149440	74693940	19605310	59902300	53880320	50230720	229520100	19593880	25156270	31405830	29887050	51566980	88576630	24581710	87662910	21969060	101841800	58588160	79430450	55531140	80863360	36755000	71639200	23380850	101209700	15126380	34206720	8032236	10484520	27962420	25802300	83544790	39113350	25180370	40552060	75528100	42416840	133473400	18799720	100420300	48075950	16215920	181121600	28187090	19338090	30306310	20667170	44995900	49193880	45293380	18296810	43853520	102558000	78384900	118041300	37257460
L-Citrulline	480047	994359	696603	653354	751403	526550	860555	801911	616998	813358	743579	596107	848432	816480	966471	522749	1139455	961570	1337413	699627	281003	694969	1113092	694069	782286	1387299	1331394	413033	1432008	505193	761875	477713	798181	1044023	1253591	677852	1032085	473873	559608	595095	695385	797686	1034079	1205334	1058000	1339396	1194950	1084177	903214	894945	947296	921901	543434	1433169	1637601	1733518	483595	734096	1334370	1086312	1278649	687564	957266	1783922	1065557	3309270	260245	1431779	1049302	1066124	3850001	211918	454238	155570	827951	440429	388611	2500169	593966	1016306	738950	1406734	551605	546973	876234	925706	478966	580272	974089	859368	719025	521225	439718	527161	631421	1930787	509449	1246032	767069	767148	1125983	659118
Leucine	68361320	89998340	72141500	70123540	69466220	55420930	82685460	90384960	65134300	124631600	124838200	34020410	81505720	138261200	73312940	61008530	51740420	78946860	41074060	49513950	73131030	89752580	42376920	38112500	125980800	87583530	41525080	136385100	58211290	115043400	72486860	48458980	96760570	66309810	69935050	113481000	51726000	63188690	110928800	71222060	102912700	93240220	68975610	65142820	55850960	62110840	68570950	141353700	83944810	125202600	125380700	56903120	109083100	78289940	97353280	45040820	154816800	38801060	145572400	109892700	103167600	35990260	76301680	53914620	91371290	145870600	101080200	59919240	57880530	55106000	58765680	90933020	97714720	73615960	43037550	133987400	78365020	43273880	111434100	146353800	54076760	111738700	90921920	153990500	52443750	79226220	93546120	166941400	68620650	108753900	78663620	90051390	60588460	185594200	131954400	94984680	121406200	47674290	66322000	64278360	78755860	141090200
Lysine	23176430	9244288	16357730	13720120	9121707	11082130	18251580	8118890	9428927	18811470	17271990	5532128	10928710	8513243	12577730	6804326	7121278	12593160	12325500	9597935	10755540	11926270	16055200	6562262	12981450	10056370	8023364	8188644	14261960	17964260	9191269	7855624	11751420	18019000	6884488	9427291	6789386	5927078	10442900	13444370	10715630	15301650	12034920	9380506	9408587	11837920	15031690	17680630	11200300	21576490	19265590	9025356	23828270	11729210	10952550	9353681	12484320	3766318	36803510	13159170	17228690	5585212	9973713	6434060	18794970	30460590	13415490	10898120	9207041	7840906	16858200	7082142	11491040	7331456	7463876	11762200	9289424	9591486	10423580	10274800	7165350	17605840	8202180	13118500	9003307	8617214	8047626	9374939	10393910	21660740	15023880	9252699	6101162	20470220	12511280	15265560	9212311	12145290	7496862	10748620	15243790	14999060
Methionine	3431567	2550330	3352270	2956442	15797730	3537653	5278522	2619759	2232636	7658746	6166260	1445971	4610084	2296221	2504204	2125206	2254345	4355636	2856697	2392217	4373334	11419060	3820941	1757573	2749606	3614798	1184090	1679094	8509480	6154698	2744854	4998512	3881131	4852326	2162425	3041575	2331223	2009510	1915242	3733065	2178722	4620210	2034472	2235756	4751922	2732462	4481316	6913910	4026119	9419672	5286722	2899255	4645760	2495006	4036949	1701494	6547946	1773254	16477850	2706300	5485746	3448913	3228084	3189677	5310216	8593986	3134128	4175718	3084524	2528642	4104799	3932686	4809012	2360501	2239008	5032099	2840525	1965433	2836031	2832142	1495590	6130874	2701180	5342642	2800955	3081456	2958001	3238643	2540618	7923224	3656451	1744822	1578368	6184802	3184073	5347216	2360953	2921888	1835051	2752646	2902605	4984542
N-Acetylornithine	70475	294842	244381	418283	48676	278053	224587	108914	300757	113656	176781	134040	657561	281445	274400	170665	70888	275673	268039	106538	88017	190760	176229	187492	72243	323938	346322	97251	423890	349560	112363	61430	332228	217434	141715	126525	152622	80721	112452	184382	259079	207804	219162	230086	234673	230194	181339	146016	244334	221603	170036	647687	170199	241496	212320	548913	122394	299015	438007	199025	424504	76953	402541	104203	302121	529407	177735	130509	146130	542631	679000	94022	157585	162218	280411	340298	158258	444622	208139	380319	92294	290117	65594	188989	183072	115874	181733	88704	143269	176895	107746	129652	205661	156438	178648	327722	167535	236115	187500	133705	293317	159352
Nicotinamide	50057550	59081240	49602060	72329740	53601400	35946060	66659750	41427800	23418720	62040670	44902880	20112680	58731150	53360850	40158860	31719230	41868610	58394480	63073640	59240400	28829740	49723360	46869960	35295940	49524160	49780370	48844500	46721700	50412810	46382960	41481560	55335020	62883040	50920560	48287870	50657110	65708800	30786870	45136910	57766870	39433200	49727340	73486120	36144410	35414530	49044530	41729070	45586060	53337130	47787670	76749590	32319070	63651240	37952640	59376160	61240680	29386070	34659060	47076750	41617760	37641710	41517630	27711500	41287800	56178800	59755890	39338770	51139510	47574570	35744580	86285980	38736240	41601510	41215060	67306140	48720670	44187980	55287550	47464240	47987240	61201840	42146360	56441210	39173320	44177550	54439620	45462390	61793960	57545220	45483850	43545080	39113060	42984090	62388990	53891680	43485870	41597770	49763870	35289040	71097310	55935870	43052250
Ornithine	12719360	4068250	6464342	7185028	5177944	4598248	6008642	4323374	3869823	6685406	8440807	3043021	6014302	4002820	5953538	3388725	2459610	4828688	4915966	5248418	6262654	7992678	8718901	5053577	7919558	5327620	5770332	3224634	9822558	5843760	4912594	4654606	5734048	8877788	3709782	5285652	4303234	3069960	4721074	5882450	5917406	7931284	6403904	6312962	4486576	9645340	8223178	6688420	4574900	8132186	7817266	3977507	6747560	6375902	6212236	3374343	4692584	1873697	11482880	6405630	6176664	1494725	4283769	3208291	6775666	7594840	3906206	4348224	4962786	3159245	9287595	3153227	5535690	2586051	10953000	5111198	3425121	4551962	5033096	5344583	3379025	7405698	4060808	4560080	3856149	3133244	3812936	4705840	3701345	10546700	6307000	3124813	2660239	9681167	4748986	5425158	4830166	6670814	2584817	4295164	5538544	7877200
Phenylalanine	31136590	45930360	40139590	38769350	47612910	20200730	44583040	29842740	43449330	63215040	51788460	16152410	66714110	94592900	33963140	36083580	34983950	32289710	22466480	30826770	26230810	91169980	26134680	17111510	54705540	43592280	87155340	50730240	63174280	54556740	40988350	27491700	46374460	37809750	37851080	54223040	35452690	34683760	49747260	34880660	62497820	46938150	54387670	51301560	26295610	43149320	34102360	58574370	42873550	48228480	69412960	37242420	53012760	28544210	51008920	22735370	51767550	24168280	68462090	44698060	37730920	22718710	41681150	28347680	40968890	68051140	53257880	26268290	27057210	28239780	41490160	43962240	46649970	62948890	35257160	52613750	48066640	38499480	44537620	50146300	55148760	52638560	56898310	49189010	31946870	42318250	51581710	50866190	34892020	56339510	41339970	40748190	34387910	68496360	75629940	45721600	56280830	46092190	37616630	43555410	37847600	39127150
Picolinic acid	17699040	22382940	22680080	24608860	18014050	21819540	32460340	17533630	22948020	22250040	20862330	13154220	24418560	20534410	19811980	18251400	15881460	21367260	30784800	15124440	13292080	19533880	24269130	18980030	28738880	22518140	19162010	22398060	19988650	22152590	21423800	20349100	28037270	22195890	22565550	19235890	27891850	15517910	21686940	23888400	19992640	22040230	20476620	16258970	20607770	24463580	19945970	20355290	23032890	31604530	20198080	13376210	22759090	17902880	20866590	20326200	17039760	19462910	20192280	21985530	15856340	14012060	19392340	18553710	23668330	18599650	15606440	18300190	18092290	14443310	22986400	16693250	24056840	21169170	16736950	22537860	20972850	17603270	19370980	21035200	24143380	22760650	23201070	15905380	18052020	21225850	19192390	21898060	20417650	20819070	18747860	18495090	16708610	32503900	25453170	19826740	21234180	21379990	27784330	22581640	21195620	30639610
Proline	75407340	90146820	84781800	80827540	83984980	48870910	127152000	61102280	47056950	134217700	140508100	22491800	74680420	52424510	78471330	30978200	35050910	99442700	69239220	66231320	75397510	146260800	68707230	51447660	67393550	161486900	63947300	35753200	155248700	82924200	57348210	65507070	65097900	92595500	62547790	49195950	68806280	81297060	48920120	63115350	51216660	134137600	149478500	104856300	63452270	91523780	71885070	160736400	69932540	141277900	103708700	85006330	100346200	75258760	114994300	56043940	85722710	46813720	175295200	117497200	103776600	61889600	104811800	56773090	100026400	134998500	71076280	52558980	68828260	37210730	110652000	69892890	91613890	49117550	103749500	87330440	66695270	60595810	60205340	84435340	76422870	128539100	50027070	93279940	53404380	83465080	81788890	67724160	61383880	98983800	107091800	45365080	35162650	121077000	66546750	106891300	47527090	64241420	72533160	95103260	133639600	122306400
Putrescine	637960	152474	24839	88053	54416	95909	167385	64234	53587	128364	48302	13132	10867	18692	189808	77945	32886	177309	25165	66945	31045	201861	108564	7186	49862	35813	175267	31294	110991	147351	29476	36438	34414	43738	25246	9565	98588	88228	32958	52220	20235	218811	38559	61005	14713	145898	110138	103388	111620	42501	173600	48068	441984	83749	98272	93934	12114	88448	110278	197742	173466	23156	200941	33022	26827	108079	125126	78499	85653	70681	184497	18828	33264	26469	32517	26338	22917	66212	81534	7976	100388	146740	30117	193950	34819	150403	81960	37632	210995	105789	12904	122755	37684	51129	81994	116993	27098	34241	68047	123660	168932	61982
Serine	2903138	1201857	1819280	1529085	3664155	2518868	2955205	1476308	886801	1902215	1835543	1318297	1627951	1238827	1931599	1409152	920607	1567896	1806481	1217233	1196612	1846546	2379467	1119911	1078125	1432979	1500848	946996	1780722	2985335	1632192	2891535	1376072	2534289	1220536	980682	1555111	889892	1448717	2289258	1278332	1841602	1747649	1080623	2179044	1312104	1948504	1445780	1199887	1958738	1419562	1294122	2118705	1156121	1403703	1084414	1061898	949035	3990933	1133871	1826814	2393612	1290099	1328228	2085745	3382740	1338708	2754095	1175962	1498992	2870380	672357	2102064	1031658	3143209	1240391	1103188	1796483	1265441	827011	1274374	2080133	1188049	1190212	1746624	1075933	1182250	1071203	1132288	1871067	1210250	1378919	1201454	1573118	1508959	1700607	1080429	1489757	1046721	1070519	1506259	1464344
S-Glutathionyl-L-cysteine	35319	0	136630	99862	47986	27289	826815	843517	612316	121213	42389	96354	111863	0	4206	121813	23060	187199	59510	133964	81607	114130	257007	29754	17445	106785	54513	36086	21600	42812	168040	470896	141377	187042	61673	8219	16713	86708	8767	209321	47699	125920	65152	5498	66311	0	83743	278625	117231	435404	112957	0	133875	15781	105852	37610	97645	11296	546054	17914	312014	40183	517277	4220	397487	428741	0	507731	60133	138584	584853	133285	303830	188204	387770	58983	143388	57322	45223	101648	95591	222134	100178	353880	129918	144855	95651	87720	164513	115888	160625	22459	64104	146012	290342	1087269	104547	218272	0	100519	24140	92378
Spermidine	51429510	22313810	6335972	24553160	12800120	13010400	23379380	22056110	11733680	24095540	16215730	6555590	7113062	4913760	29189630	6626006	12560600	27624860	10878620	13823750	6957286	29207040	15833690	2469712	4131594	10457720	22592720	7815838	15692500	26664420	12493620	7258486	15058160	14833830	9351081	4257568	10415140	15296800	9432681	12661840	6740442	35607320	13414610	15454590	5062212	18925080	11450460	26919830	21854970	24487070	29706220	11837280	43385080	17433970	18952350	14891000	7698582	19576070	19198330	26082620	28633750	3698692	35651670	14492340	14828890	16265820	18096630	7412430	23949880	13734620	27889310	5725678	16674900	9275733	3573797	11766120	6395596	16076160	14396490	7688216	6808232	22508490	5509544	25380550	11701930	35112310	13511200	9022379	31516240	19389410	6577048	13287300	9169892	12978030	20881640	15433180	13334570	12863570	16368420	17953580	20492830	18798020
Spermine	13657590	15765820	12663840	13487360	13413410	10218940	19922640	16395440	9438105	17312380	15579320	3899649	7788920	5115140	16298550	12974590	9519756	33613510	13414150	12983030	8865836	46048220	6457630	6783654	17022190	16028290	8379244	16613720	20574200	40109600	10430400	17060920	14370830	12163250	15365700	22341270	12988400	18285360	8526267	13187500	17671640	14226770	6363732	17546840	12275180	23992100	5648220	17665620	14593480	9594867	22494840	27347770	24447220	23543930	11522000	26375130	19469870	7751502	25797690	14140260	37881240	5229726	11948410	17589140	7622794	29419960	29582690	9506406	12244790	10183490	12379030	15818620	27842800	14328200	5570840	16571320	10625040	16579990	8343508	9286122	16267650	14813860	11903700	36534680	13825270	14840660	42469550	17832150	14114820	24544420	5763882	27524100	10768700	14684810	22744150	11108310	11272220	11744040	17151170	21549920	26878480	4967000
Sphinganine 1-phosphate	88157	43336	48179	145745	108320	76813	103406	41591	31901	70658	58727	36072	89926	75891	60026	69645	67810	52712	36257	0	0	242717	76324	34348	19271	88578	72646	13039	311457	121890	35060	156811	89739	105928	117891	122159	53213	11666	22943	135788	33138	52290	40756	0	14501	108308	89146	70845	15040	52276	46884	0	254038	12313	30971	20492	9808	15033	0	59553	0	0	12964	49332	23419	103629	85672	66389	79571	0	58362	43373	17360	58131	141938	11116	91849	35272	43770	43796	41721	12140	33032	57190	51368	56089	28187	85260	80603	78718	37243	53310	48045	100835	175123	27914	27439	72552	86337	27405	238551	33549
Sphingosine 1-phosphate	524169	125615	219630	282794	215230	154900	290908	331596	216145	269530	156655	84880	160299	105284	276356	165378	543867	179598	105662	123154	209615	776457	335389	98578	44500	229231	148412	137584	624061	278339	169195	459302	195584	381021	307653	240240	123011	134542	44616	194063	182429	180423	106837	119607	247629	465218	227459	134638	94607	253448	240568	198303	578059	142250	114517	212319	41416	149430	322096	296078	204188	24849	387706	119349	163729	464607	332307	230330	354257	99033	329742	167243	323893	113700	452238	85014	266771	88452	89981	89581	156550	122286	83367	306949	256310	248827	70477	263095	178254	371246	141966	163713	120143	149734	317292	359606	76756	161519	250992	133858	640000	83307
Threonine	10150130	3852395	13351660	5069410	20758170	6097174	8922802	3779918	3071984	7512212	6963384	2146671	5071438	2893960	5263927	3102066	3050257	6359848	10149030	3838967	6480224	8447848	11470180	4534790	4081553	4638758	3082519	2833406	9539891	8597582	4321866	4014813	3490863	11606760	4841760	3578392	3786190	2751339	4717374	6140680	4079781	7153508	3657185	3665965	4405323	6083898	8508583	8103286	5986350	8447125	6786196	3608201	6636902	5448818	8006952	4045424	4371464	1925004	16425040	3630062	5253332	6306928	6140128	4378066	7171706	10313200	5181420	8640743	3757607	3822055	10390470	3107910	4646200	3002330	5560028	5408366	4029526	4644510	4170757	3209289	3248158	8929667	3579090	5144438	5595196	3770141	4266500	3890422	4547696	7272502	7123874	2982815	3056912	6691954	3410776	6112042	3475475	3255772	3054953	5945860	6721634	6483164
Tryptophan	42583580	31792020	37513660	34355120	24504870	22687740	49443280	34035160	42971490	61657810	57561720	6800182	60715310	28812090	29662700	11474420	18594200	48284060	29195340	24456300	26443980	65432560	52979700	21990760	43647400	40483970	34503800	37402260	74800770	41635420	35328410	24018490	38542190	43443240	25519380	32332380	29288220	30407710	45000050	28993630	32796880	37409120	26324620	25710580	30006190	53214430	42996270	83773820	41982620	46159220	62735820	31976410	53903610	23821810	87259060	29052010	44583620	41431080	74872840	37105790	59389330	22536770	75064580	28969940	44283650	45997910	50734660	24987470	40332660	30399020	41901520	25603940	44047720	20935950	21777220	40876090	29971080	48766180	51657420	33289630	30991940	78210310	45488740	67988650	22245220	50235300	37427890	34701570	42688750	40554880	35744530	35522080	27843510	50223950	74656250	30026530	27303450	26321660	18324650	32892960	37125800	87154500
Tyrosine	23912160	14261330	19598320	26713560	19342540	13249050	31198510	19149750	12158820	39154210	38207260	6967626	40707270	20640230	18086250	7963708	10415320	18561250	11440660	8718120	8593667	20598490	46367440	6850224	25646530	24222330	19576230	19284590	50682180	28498270	14455750	13202290	29121490	37743510	16861100	24137870	16101220	10999850	21491340	18406050	22007530	33352220	23890260	13239210	11654660	34162750	35099650	34749890	17839270	23573840	33683870	14487420	23939810	7270794	21808000	7121538	17239770	9278779	39337880	23431110	13503050	6482814	17966910	18147450	13672600	26871760	24591860	14288530	18199590	9034069	18789310	14042180	16783980	11027560	23583520	25799550	21869830	24908250	20935270	20156810	21501490	29663260	28373430	24019340	10088380	20758450	20379800	16654500	16862860	28900020	20564130	15507190	13275580	34468130	32625500	14889640	17307100	16175970	15575490	17854950	34759120	27403930
Valine	444044900	87642220	79479780	65688820	118657100	69819900	81933260	76649450	75388100	126760200	89470630	54546400	103362000	108288000	87280290	51266210	114429400	126691000	67854880	49778010	74768300	93345380	146428200	50738930	91825930	99649750	59971800	53136970	67903310	107284500	95712540	89460890	108869800	108218300	57590970	81656490	89115690	43710420	104682300	88784440	90075290	97745240	89643380	83679190	75864130	138573000	106831700	178693200	72376350	93028090	114968100	100942200	160201900	60621100	114988400	40354990	112469500	63640280	134276900	128420500	96434810	62399420	86838060	71191910	120531700	161184500	124015000	87685700	59824880	64781550	157452100	83186950	88030460	47405790	96183800	96293410	51559390	109591400	83905930	115877400	73958650	96139560	85026920	95661500	83115910	99228830	78343830	136484600	61436670	101286600	80634700	59367600	90609930	115050300	101491000	118969800	75312460	67081580	100349300	88537780	74204020	89574550
Xanthine	451157	169803	268792	382656	147367	201310	299739	172568	100195	87255	138875	144598	356421	189460	152157	268600	193255	290253	185793	173719	384276	177699	96563	88136	14235840	130102	142642	169627	196956	530641	308681	437802	397773	344242	601762	226563	236474	71409	71948	637003	140032	243538	239780	44443	215850	256114	170598	37310	133311	223641	340675	155607	273917	513919	111340	250169	29721	48370	193903	147081	114236	46235	129917	163378	1407058	271169	511025	585354	91698	214643	113278	244410	243220	317140	154452	98876	209058	182943	67419	224270	151620	139079	443143	205050	246632	183358	106484	765786	296146	344484	151296	241511	143936	223151	3935393	154805	174678	326638	158199	74149	273965	66983
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG_ID	m/z	r.t.
Alanine	C00041	90.0548	0.66
Arginine	C00062	175.1190	0.61
Asparagine	C00152	133.0605	0.66
Aspartate	C00049	134.0448	0.66
Cysteine	C00097	122.0272	0.78
Glutamate	C00025	148.0605	0.66
Glutamine	C00064	147.0762	0.66
Histidine	C00135	156.0767	0.60
Leucine	C00123	132.1016	1.02
Isoleucine	C00407	132.1016	0.71
Lysine	C00047	147.1127	0.60
Methionine	C00073	150.0583	0.71
Phenylalanine	C00079	166.0860	1.40
Proline	C00148	116.0704	0.67
Serine	C00065	106.0498	0.66
Threonine	C00188	120.0654	0.66
Tryptophan	C00078	205.0972	1.72
Tyrosine	C00082	182.0808	0.93
Valine	C00183	118.0860	0.69
Adenine	C00147	136.0617	0.87
GMP	C00144	364.0651	0.91
Guanine	C00242	152.0564	0.82
Hypoxanthine	C00262	137.0457	0.94
Xanthine	C00385	153.0408	0.94
5-Hydroxyisourate	C11821	185.0319	0.66
Nicotinamide	C00153	123.0549	0.94
Glutathione	C00051	308.0901	0.86
Glutathione disulfide	C00127	613.1577	0.87
5-Oxoproline	C01879	130.0499	0.77
S-Glutathionyl-L-cysteine	C05526	427.0940	0.66
Cys-Gly	C01419	179.0485	0.86
gamma-L-Glutamyl-L-cysteine	C00669	251.0689	0.87
gamma-L-Glutamyl-D-alanine	C03738	219.0975	0.70
gamma-Glutamyl-gamma-aminobutyrate	C15767	233.1130	0.97
Dimethylglycine	C01026	104.0704	0.67
Ornithine	C01602	133.0970	0.60
L-Citrulline	C00327	176.1029	0.66
Putrescine	C00134	89.1073	0.58
Spermidine	C00315	146.1651	0.60
Spermine	C00750	203.2227	0.60
Carnosine	C00386	227.1152	0.63
Creatine	C00300	132.0765	0.66
Creatinine	C00791	114.0662	0.66
N-Acetylornithine	C00437	175.1075	0.68
Guanidinoacetate	C00581	118.0610	0.65
5-Hydroxyindoleacetate	C05635	192.0668	1.75
3-Methyleneoxindole	C02796	146.0600	1.72
Indole	C00463	118.0651	1.72
Indole-3-acetaldehyde	C00637	160.0757	1.72
Indole-3-acetate	C00954	176.0704	1.87
Indoxyl	C05658	134.0599	1.73
6-Hydroxykynurenic acid	C08480	206.0471	0.90
kynurenine	C00328	209.0918	1.39
Anthranilate	C00108	138.0547	0.67
Picolinic acid	C10164	124.0409	0.59
g-Oxalo-crotonate	C03453	159.0275	0.73
L-Adrenaline	C00788	184.0947	0.66
Sphingosine 1-phosphate	C06124	380.2548	3.81
Choline	C00114	104.1067	0.65
Acetylcholine	C01996	146.1173	0.67
Sphinganine 1-phosphate	C01120	382.2707	3.85
L-Carnitine	C00318	162.1123	0.65
METABOLITES_END
#END