#METABOLOMICS WORKBENCH stephensondj_20230911_122824 DATATRACK_ID:4302 STUDY_ID:ST002858 ANALYSIS_ID:AN004684 PROJECT_ID:PR001789
VERSION             	1
CREATED_ON             	September 13, 2023, 3:17 pm
#PROJECT
PR:PROJECT_TITLE                 	Intracerebroventricular Transplantation of Foetal Allogeneic Neural Stem Cells
PR:PROJECT_TITLE                 	in Patients with Secondary Progressive Multiple Sclerosis (hNSC-SPMS): a phase I
PR:PROJECT_TITLE                 	dose-escalation clinical trial
PR:PROJECT_SUMMARY               	SUMMARY This is an open-label, first-in-human, dose-escalation phase I study
PR:PROJECT_SUMMARY               	(NCT03282760, EudraCT2015‐004855‐37) to determine the feasibility, safety,
PR:PROJECT_SUMMARY               	and tolerability of the transplantation of allogeneic human neural
PR:PROJECT_SUMMARY               	stem/progenitor cells (hNSCs) for the treatment of progressive multiple
PR:PROJECT_SUMMARY               	sclerosis. We report the analysis of 1 year of data from the first cohort of 15
PR:PROJECT_SUMMARY               	patients from two trial sites that received increasing numbers of allogeneic
PR:PROJECT_SUMMARY               	hNSCs delivered via intracerebroventricular injection in combination with an
PR:PROJECT_SUMMARY               	immunosuppressive regimen. No treatment-related deaths nor serious adverse
PR:PROJECT_SUMMARY               	events (AEs) were observed over the 12-month follow-up. Participants displayed
PR:PROJECT_SUMMARY               	stability of clinical and laboratory parameters, as well as lesion load and
PR:PROJECT_SUMMARY               	activity at the brain MRIs, compared to study entry. Longitudinal metabolomics
PR:PROJECT_SUMMARY               	and lipidomics analyses of cerebrospinal fluid and serum from these patients
PR:PROJECT_SUMMARY               	identified time and dose-dependent responses, with increased levels of free
PR:PROJECT_SUMMARY               	fatty acids and acylcarnitines in the CSF, especially at the highest dose of
PR:PROJECT_SUMMARY               	injected hNSCs at the one-year follow-up time point. Finally, a significant
PR:PROJECT_SUMMARY               	inverse correlation was found between the highest dose of injected hNSCs and the
PR:PROJECT_SUMMARY               	smaller parenchymal brain volume change (PBVC; Spearman’s rho= -0.7, p= 0.03),
PR:PROJECT_SUMMARY               	clinical covariates that correlated with CSF levels of free fatty acids,
PR:PROJECT_SUMMARY               	acyl-carnitines, oxylipins, conjugated bile acids and purine breakdown and
PR:PROJECT_SUMMARY               	deamination products, such as hypoxanthine. The absence of AEs and the stability
PR:PROJECT_SUMMARY               	of functional and structural outcomes is reassuring in terms of risks and
PR:PROJECT_SUMMARY               	represent a main milestone to rigorously address the challenges for the safe
PR:PROJECT_SUMMARY               	translation of key principles of stem cell biology into effective regenerative
PR:PROJECT_SUMMARY               	medicines.
PR:INSTITUTE                     	University of Colorado Anschutz Medical Campus
PR:DEPARTMENT                    	Department of Biochemistry and Molecular Genetics
PR:LAST_NAME                     	Stephenson
PR:FIRST_NAME                    	Daniel
PR:ADDRESS                       	Research 1 South L18-1303 12801 E. 17th Ave., Aurora, Colorado, 80045, USA
PR:EMAIL                         	daniel.stephenson@cuanschutz.edu
PR:PHONE                         	303-724-3339
#STUDY
ST:STUDY_TITLE                   	Intracerebroventricular Transplantation of Foetal Allogeneic Neural Stem Cells
ST:STUDY_TITLE                   	in Patients with Secondary Progressive Multiple Sclerosis (hNSC-SPMS): a phase I
ST:STUDY_TITLE                   	dose-escalation clinical trial - Metabolomics Analysis of Human Serum
ST:STUDY_SUMMARY                 	This is an open-label, first-in-human, dose-escalation phase I study
ST:STUDY_SUMMARY                 	(NCT03282760, EudraCT2015‐004855‐37) to determine the feasibility, safety,
ST:STUDY_SUMMARY                 	and tolerability of the transplantation of allogeneic human neural
ST:STUDY_SUMMARY                 	stem/progenitor cells (hNSCs) for the treatment of progressive multiple
ST:STUDY_SUMMARY                 	sclerosis. We report the analysis of 1 year of data from the first cohort of 15
ST:STUDY_SUMMARY                 	patients from two trial sites that received increasing numbers of allogeneic
ST:STUDY_SUMMARY                 	hNSCs delivered via intracerebroventricular injection in combination with an
ST:STUDY_SUMMARY                 	immunosuppressive regimen. No treatment-related deaths nor serious adverse
ST:STUDY_SUMMARY                 	events (AEs) were observed over the 12-month follow-up. Participants displayed
ST:STUDY_SUMMARY                 	stability of clinical and laboratory parameters, as well as lesion load and
ST:STUDY_SUMMARY                 	activity at the brain MRIs, compared to study entry. Longitudinal metabolomics
ST:STUDY_SUMMARY                 	and lipidomics analyses of cerebrospinal fluid and serum from these patients
ST:STUDY_SUMMARY                 	identified time and dose-dependent responses, with increased levels of free
ST:STUDY_SUMMARY                 	fatty acids and acylcarnitines in the CSF, especially at the highest dose of
ST:STUDY_SUMMARY                 	injected hNSCs at the one-year follow-up time point. Finally, a significant
ST:STUDY_SUMMARY                 	inverse correlation was found between the highest dose of injected hNSCs and the
ST:STUDY_SUMMARY                 	smaller parenchymal brain volume change (PBVC; Spearman’s rho= -0.7, p= 0.03),
ST:STUDY_SUMMARY                 	clinical covariates that correlated with CSF levels of free fatty acids,
ST:STUDY_SUMMARY                 	acyl-carnitines, oxylipins, conjugated bile acids and purine breakdown and
ST:STUDY_SUMMARY                 	deamination products, such as hypoxanthine. The absence of AEs and the stability
ST:STUDY_SUMMARY                 	of functional and structural outcomes is reassuring in terms of risks and
ST:STUDY_SUMMARY                 	represent a main milestone to rigorously address the challenges for the safe
ST:STUDY_SUMMARY                 	translation of key principles of stem cell biology into effective regenerative
ST:STUDY_SUMMARY                 	medicines.
ST:INSTITUTE                     	University of Colorado Anschutz Medical Campus
ST:LAST_NAME                     	Stephenson
ST:FIRST_NAME                    	Daniel
ST:ADDRESS                       	Research 1 South L18-1303 12801 E. 17th Ave., Aurora, Colorado, 80045, USA
ST:EMAIL                         	daniel.stephenson@cuanschutz.edu
ST:PHONE                         	303-724-3339
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
#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           	1151	DS1-123-002	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-002+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-002-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-002+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-002-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-002-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	CP101	DS1-123-004	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-004+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-004-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-004+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-004-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-004-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1151	DS1-123-006	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-006+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-006-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-006+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-006-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-006-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1178	DS1-123-008	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-008+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-008-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-008+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-008-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-008-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1178	DS1-123-009	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-009+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-009-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-009+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-009-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-009-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1151	DS1-123-010	TIMEPOINT:FU6	RAW_FILE_NAME=DS1-123-010+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-010-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-010+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-010-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-010-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1178	DS1-123-012	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-012+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-012-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-012+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-012-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-012-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	131	DS1-123-013	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-013+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-013-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-013+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-013-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-013-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	182	DS1-123-016	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-016+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-016-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-016+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-016-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-016-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1178	DS1-123-017	TIMEPOINT:FU6	RAW_FILE_NAME=DS1-123-017+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-017-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-017+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-017-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-017-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1219	DS1-123-019	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-019+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-019-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-019+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-019-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-019-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1151	DS1-123-020	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-020+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-020-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-020+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-020-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-020-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1228	DS1-123-022	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-022+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-022-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-022+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-022-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-022-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1219	DS1-123-023	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-023+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-023-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-023+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-023-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-023-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	161	DS1-123-024	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-024+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-024-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-024+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-024-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-024-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1151	DS1-123-026	TIMEPOINT:FU12	RAW_FILE_NAME=DS1-123-026+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-026-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-026+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-026-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-026-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1249	DS1-123-029	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-029+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-029-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-029+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-029-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-029-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1178	DS1-123-030	TIMEPOINT:FU12	RAW_FILE_NAME=DS1-123-030+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-030-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-030+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-030-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-030-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1219	DS1-123-033	TIMEPOINT:FU6	RAW_FILE_NAME=DS1-123-033+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-033-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-033+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-033-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-033-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1249	DS1-123-034	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-034+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-034-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-034+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-034-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-034-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1228	DS1-123-036	TIMEPOINT:FU6	RAW_FILE_NAME=DS1-123-036+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-036-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-036+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-036-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-036-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	157	DS1-123-038	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-038+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-038-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-038+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-038-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-038-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	01_19	DS1-123-040	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-040+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-040-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-040+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-040-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-040-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1289	DS1-123-041	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-041+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-041-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-041+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-041-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-041-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1249	DS1-123-044	TIMEPOINT:FU6	RAW_FILE_NAME=DS1-123-044+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-044-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-044+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-044-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-044-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1219	DS1-123-045	TIMEPOINT:FU12	RAW_FILE_NAME=DS1-123-045+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-045-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-045+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-045-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-045-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1289	DS1-123-047	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-047+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-047-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-047+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-047-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-047-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1228	DS1-123-048	TIMEPOINT:FU12	RAW_FILE_NAME=DS1-123-048+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-048-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-048+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-048-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-048-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1316	DS1-123-049	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-049+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-049-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-049+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-049-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-049-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	144	DS1-123-052	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-052+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-052-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-052+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-052-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-052-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1289	DS1-123-053	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-053+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-053-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-053+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-053-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-053-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1316	DS1-123-054	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-054+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-054-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-054+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-054-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-054-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1249	DS1-123-055	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-055+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-055-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-055+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-055-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-055-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1323	DS1-123-056	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-056+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-056-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-056+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-056-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-056-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1249	DS1-123-059	TIMEPOINT:FU12	RAW_FILE_NAME=DS1-123-059+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-059-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-059+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-059-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-059-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1289	DS1-123-060	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-060+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-060-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-060+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-060-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-060-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1323	DS1-123-061	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-061+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-061-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-061+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-061-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-061-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1316	DS1-123-062	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-062+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-062-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-062+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-062-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-062-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1289	DS1-123-064	TIMEPOINT:FU12	RAW_FILE_NAME=DS1-123-064+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-064-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-064+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-064-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-064-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1323	DS1-123-065	TIMEPOINT:FU6	RAW_FILE_NAME=DS1-123-065+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-065-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-065+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-065-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-065-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1323	DS1-123-066	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-066+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-066-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-066+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-066-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-066-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1181	DS1-123-067	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-067+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-067-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-067+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-067-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-067-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1210	DS1-123-068	TIMEPOINT:FU6	RAW_FILE_NAME=DS1-123-068+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-068-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-068+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-068-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-068-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1194	DS1-123-069	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-069+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-069-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-069+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-069-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-069-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1151	DS1-123-074	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-074+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-074-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-074+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-074-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-074-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1243	DS1-123-075	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-075+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-075-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-075+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-075-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-075-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1181	DS1-123-077	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-077+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-077-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-077+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-077-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-077-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1210	DS1-123-078	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-078+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-078-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-078+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-078-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-078-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1243	DS1-123-079	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-079+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-079-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-079+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-079-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-079-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1252	DS1-123-082	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-082+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-082-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-082+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-082-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-082-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1194	DS1-123-084	TIMEPOINT:FU6	RAW_FILE_NAME=DS1-123-084+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-084-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-084+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-084-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-084-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1194	DS1-123-086	TIMEPOINT:FU12	RAW_FILE_NAME=DS1-123-086+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-086-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-086+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-086-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-086-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1243	DS1-123-088	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-088+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-088-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-088+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-088-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-088-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	21_31	DS1-123-089	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-089+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-089-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-089+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-089-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-089-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1210	DS1-123-090	TIMEPOINT:FU12	RAW_FILE_NAME=DS1-123-090+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-090-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-090+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-090-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-090-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1252	DS1-123-091	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-091+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-091-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-091+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-091-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-091-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1181	DS1-123-092	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-092+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-092-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-092+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-092-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-092-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1181	DS1-123-095	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-095+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-095-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-095+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-095-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-095-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1194	DS1-123-096	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-096+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-096-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-096+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-096-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-096-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1252	DS1-123-097	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-097+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-097-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-097+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-097-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-097-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1181	DS1-123-098	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-098+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-098-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-098+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-098-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-098-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1210	DS1-123-101	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-101+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-101-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-101+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-101-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-101-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1210	DS1-123-104	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-104+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-104-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-104+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-104-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-104-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	02_67	DS1-123-107	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-107+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-107-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-107+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-107-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-107-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1181	DS1-123-108	TIMEPOINT:FU6	RAW_FILE_NAME=DS1-123-108+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-108-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-108+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-108-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-108-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1194	DS1-123-110	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-110+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-110-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-110+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-110-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-110-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1194	DS1-123-112	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-112+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-112-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-112+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-112-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-112-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1181	DS1-123-113	TIMEPOINT:FU12	RAW_FILE_NAME=DS1-123-113+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-113-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-113+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-113-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-113-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	02_23	DS1-123-115	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-115+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-115-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-115+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-115-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-115-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	02_68	DS1-123-118	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-118+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-118-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-118+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-118-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-118-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1252	DS1-123-119	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-119+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-119-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-119+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-119-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-119-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1210	DS1-123-120	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-120+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-120-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-120+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-120-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-120-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1243	DS1-123-121	TIMEPOINT:FU6	RAW_FILE_NAME=DS1-123-121+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-121-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-121+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-121-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-121-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1296	DS1-123-122	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-122+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-122-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-122+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-122-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-122-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1243	DS1-123-126	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-126+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-126-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-126+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-126-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-126-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1252	DS1-123-128	TIMEPOINT:FU6	RAW_FILE_NAME=DS1-123-128+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-128-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-128+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-128-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-128-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1296	DS1-123-129	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-129+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-129-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-129+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-129-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-129-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1323	DS1-123-132	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-132+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-132-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-132+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-132-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-132-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1326	DS1-123-135	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-135+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-135-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-135+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-135-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-135-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1252	DS1-123-137	TIMEPOINT:FU12	RAW_FILE_NAME=DS1-123-137+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-137-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-137+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-137-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-137-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1326	DS1-123-138	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-138+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-138-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-138+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-138-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-138-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1296	DS1-123-140	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-140+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-140-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-140+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-140-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-140-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	CTO01246	DS1-123-141	TIMEPOINT:START	RAW_FILE_NAME=DS1-123-141+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-141-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-141+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-141-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-141-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1296	DS1-123-143	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-143+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-143-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-143+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-143-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-143-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	CTO01246	DS1-123-144	TIMEPOINT:REND	RAW_FILE_NAME=DS1-123-144+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-144-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-144+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-144-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-144-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1326	DS1-123-147	TIMEPOINT:FU1	RAW_FILE_NAME=DS1-123-147+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-147-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-147+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-147-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-147-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1326	DS1-123-149	TIMEPOINT:FU12	RAW_FILE_NAME=DS1-123-149+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-149-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-149+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-149-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-149-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1151	DS1-123-150	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-150+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-150-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-150+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-150-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-150-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1178	DS1-123-151	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-151+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-151-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-151+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-151-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-151-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1219	DS1-123-152	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-152+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-152-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-152+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-152-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-152-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1228	DS1-123-153	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-153+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1219	DS1-123-154	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-154+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1249	DS1-123-155	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-155+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1228	DS1-123-156	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-156+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_oxylipinsSerum.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	lumbar puncture for serum and CSF collection (stored at -80°C)
CO:SAMPLE_TYPE                   	Serum
#TREATMENT
TR:TREATMENT_SUMMARY             	A total of 180 candidates volunteered between September 26, 2017, and January
TR:TREATMENT_SUMMARY             	13, 2020. The study was conducted in three centers. Two Italian centers, the
TR:TREATMENT_SUMMARY             	‘IRCCS Casa Sollievo della Sofferenza’ Research Hospital (Site 1) and the
TR:TREATMENT_SUMMARY             	‘Santa Maria di Terni’ Hospital (Site 2) recruited patients and performed
TR:TREATMENT_SUMMARY             	the MRI examinations. The Multiple Sclerosis Centre of the Neurocentre of
TR:TREATMENT_SUMMARY             	Southern Switzerland (Site 3) performed the magnetic resonance imaging (MRI)
TR:TREATMENT_SUMMARY             	analysis. The ICVI of the ACT was performed at Site 2. Screening was done one
TR:TREATMENT_SUMMARY             	month prior to enrolment in the study. The run-in period started after the
TR:TREATMENT_SUMMARY             	screening examination (Run-in-START) and lasted three months (Run-in-END). After
TR:TREATMENT_SUMMARY             	screening in the two recruiting centers (as above), n= 15 subjects with active
TR:TREATMENT_SUMMARY             	and non-active SPMS suffering from progressive disability were found to be
TR:TREATMENT_SUMMARY             	eligible, consented, and were assigned a unique identification number.
TR:TREATMENT_SUMMARY             	Participants, nine females and six males, had a mean age of 50 years (range:
TR:TREATMENT_SUMMARY             	38–57), and were recruited in similar proportions by the two study sites. The
TR:TREATMENT_SUMMARY             	mean EDSS was 7.6 (range 7–8), mean disease duration was 23 years (range
TR:TREATMENT_SUMMARY             	14–30), and mean time from diagnosis to secondary progression was 10 years
TR:TREATMENT_SUMMARY             	(range: 1–20). The hNSC-SPMS study was advertised using the website of the
TR:TREATMENT_SUMMARY             	hospitals and social media (eg Facebook and Twitter). The first patient
TR:TREATMENT_SUMMARY             	selection was performed based on the documentation provided. Selected patients
TR:TREATMENT_SUMMARY             	were then summoned in Site 1 and Site 2 (as above) for a first pre-screening
TR:TREATMENT_SUMMARY             	meeting with the clinicians. Patients who agreed to participate were then
TR:TREATMENT_SUMMARY             	subjected to the screening visit for the clinical trial. Following the surgical
TR:TREATMENT_SUMMARY             	procedure, follow-up visits were performed monthly up to 12 months. Before
TR:TREATMENT_SUMMARY             	transplantation, all patients underwent the following examinations (at both
TR:TREATMENT_SUMMARY             	Run-in-START and Run-in-END): physical and neurological exams; vital signs;
TR:TREATMENT_SUMMARY             	pregnancy tests (in fertile women); haematological and urine tests; lumbar
TR:TREATMENT_SUMMARY             	puncture for serum and CSF collection (stored at -80°C);
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Extraction of metabolites and lipids from serum and cerebrospinal fluid (CSF)
SP:SAMPLEPREP_SUMMARY            	was as follows: 40 µL CSF or serum was aliquoted into 2mL deep well plates
SP:SAMPLEPREP_SUMMARY            	followed by an addition of 360 µL cold MeOH:MeCN:H2O (5:3:2, v:v:v). Plates
SP:SAMPLEPREP_SUMMARY            	were then placed on a shaker at 4°C and plate shaker was set to 400 RPM for 30
SP:SAMPLEPREP_SUMMARY            	minutes. Insoluble material was pelleted by centrifugation (4000 RPM, 10 min)
SP:SAMPLEPREP_SUMMARY            	and supernatants were isolated for analysis by UHPLC-MS. All 96-well plate
SP:SAMPLEPREP_SUMMARY            	pipetting was done using Integra MINI 96 (Integra Biosciences).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Metabolomics Positive
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (150 x 2.1mm,1.7um)
CH:SOLVENT_A                     	0.1% Formic Acid in Water
CH:SOLVENT_B                     	0.1% Formic Acid in ACN
CH:FLOW_GRADIENT                 	0 min - 0.45 ml/min - 5% B, 0.5 min - 0.45ml/min - 5% B, 1.1 min - 0.45ml/min -
CH:FLOW_GRADIENT                 	95% B, 2.75 min - 0.45ml/min - 95% B, 3 min - 0.45ml/min - 5% B, 5min -
CH:FLOW_GRADIENT                 	0.45ml/min - 5%B
CH:FLOW_RATE                     	0.45 ml/min
CH:COLUMN_TEMPERATURE            	45
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Orbitrap Exploris 120
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Software for Feature Assignments - El-Maven
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area
MS_METABOLITE_DATA_START
Samples	DS1-123-002	DS1-123-004	DS1-123-006	DS1-123-008	DS1-123-009	DS1-123-010	DS1-123-012	DS1-123-013	DS1-123-016	DS1-123-017	DS1-123-019	DS1-123-020	DS1-123-022	DS1-123-023	DS1-123-024	DS1-123-026	DS1-123-029	DS1-123-030	DS1-123-033	DS1-123-034	DS1-123-036	DS1-123-038	DS1-123-040	DS1-123-041	DS1-123-044	DS1-123-045	DS1-123-047	DS1-123-048	DS1-123-049	DS1-123-052	DS1-123-053	DS1-123-054	DS1-123-055	DS1-123-056	DS1-123-059	DS1-123-060	DS1-123-061	DS1-123-062	DS1-123-064	DS1-123-065	DS1-123-066	DS1-123-067	DS1-123-068	DS1-123-069	DS1-123-074	DS1-123-075	DS1-123-077	DS1-123-078	DS1-123-079	DS1-123-082	DS1-123-084	DS1-123-086	DS1-123-088	DS1-123-089	DS1-123-090	DS1-123-091	DS1-123-092	DS1-123-095	DS1-123-096	DS1-123-097	DS1-123-098	DS1-123-101	DS1-123-104	DS1-123-107	DS1-123-108	DS1-123-110	DS1-123-112	DS1-123-113	DS1-123-115	DS1-123-118	DS1-123-119	DS1-123-120	DS1-123-121	DS1-123-122	DS1-123-126	DS1-123-128	DS1-123-129	DS1-123-132	DS1-123-135	DS1-123-137	DS1-123-138	DS1-123-140	DS1-123-141	DS1-123-143	DS1-123-144	DS1-123-147	DS1-123-149	DS1-123-150	DS1-123-151	DS1-123-152	DS1-123-153	DS1-123-154	DS1-123-155	DS1-123-156
Factors	TIMEPOINT:START	TIMEPOINT:START	TIMEPOINT:FU1	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:FU6	TIMEPOINT:FU3	TIMEPOINT:START	TIMEPOINT:START	TIMEPOINT:FU6	TIMEPOINT:REND	TIMEPOINT:FU9	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:START	TIMEPOINT:FU12	TIMEPOINT:REND	TIMEPOINT:FU12	TIMEPOINT:FU6	TIMEPOINT:FU1	TIMEPOINT:FU6	TIMEPOINT:START	TIMEPOINT:START	TIMEPOINT:REND	TIMEPOINT:FU6	TIMEPOINT:FU12	TIMEPOINT:FU1	TIMEPOINT:FU12	TIMEPOINT:REND	TIMEPOINT:START	TIMEPOINT:FU3	TIMEPOINT:FU1	TIMEPOINT:FU9	TIMEPOINT:FU1	TIMEPOINT:FU12	TIMEPOINT:FU9	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU12	TIMEPOINT:FU6	TIMEPOINT:FU9	TIMEPOINT:START	TIMEPOINT:FU6	TIMEPOINT:FU1	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:REND	TIMEPOINT:FU3	TIMEPOINT:REND	TIMEPOINT:START	TIMEPOINT:FU6	TIMEPOINT:FU12	TIMEPOINT:FU3	TIMEPOINT:START	TIMEPOINT:FU12	TIMEPOINT:FU1	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU3	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:START	TIMEPOINT:FU6	TIMEPOINT:REND	TIMEPOINT:FU9	TIMEPOINT:FU12	TIMEPOINT:START	TIMEPOINT:START	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU6	TIMEPOINT:REND	TIMEPOINT:FU9	TIMEPOINT:FU6	TIMEPOINT:FU3	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:FU12	TIMEPOINT:FU3	TIMEPOINT:FU1	TIMEPOINT:START	TIMEPOINT:FU3	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:FU12	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU3	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU3	TIMEPOINT:FU9
L-alanine	3759613.25	4532093	4495344	5325072.5	2989631.75	2359403.25	4725968	3127112.75	3992414.25	3728314	3690075	5255937.5	3077729.25	5335334.5	5096681.5	4158308.25	6504336.5	4661419	4904734	5634514	3932091.25	3439228	6007894	4574256.5	5313958	420943	3520150.75	4690944	7325181.5	4701868.5	2637956.25	6319612.5	5240445.5	3072758	4844791.5	3758786.75	3632529.25	8795577	5175200	6986832	6416434.5	5297819.5	5513752.5	3245603	3804649.75	4794026.5	7249981.5	7192449.5	2903004.25	4942197.5	4041312.25	3726401.25	5786998	5437643.5	5977089.5	6175800	6877730.5	9337157	4015852	4755297.5	4546588.5	4378502	4918214	4901062.5	4746539.5	5714250.5	4101829.25	6200654.5	3446876.75	4075872	5124179.5	5162769.5	6157602.5	5505335.5	4913891.5	4743900.5	5177403.5	5281801.5	3694618.25	3637788.75	4204316.5	7105262	7697253.5	5460972.5	5802888.5	4140087	4427940	6106283.5	5404948.5	4089860	8854413	7177568.5	5957501.5	3216198.25
L-arginine	9535297	9319234	11195072	7761538.5	8978833	9334013	7403460	9020314	7826870	8579701	11138914	8389189	8675064	9745820	10070059	11761780	8859365	9227069	9843413	8303149.5	8369222.5	9562761	8064936	11243777	9607026	2855253.25	10219220	9399251	10780415	11759233	9451319	11216064	10179315	8390894	10809575	13843187	9901825	7790374	10089127	8741007	9149265	8685555	7733361.5	8782547	9559677	9405593	9699932	10341697	9574091	7623579.5	8305710.5	9606944	10062319	11026389	9332504	9170660	15722496	13308459	8350066	8539065	12465147	9151201	6948389.5	12849641	11304901	7755560	10902268	11211816	9770017	10432521	9340175	7865892	12120941	10704457	12102969	7539835.5	8237510	9804169	9242021	6658476.5	7521852	9444577	7915769.5	8821209	7931566	9091144	7444676.5	11934871	7617706	9827158	11323624	8820717	9114475	8899721
L-asparagine	204077.11	253396.58	311393	286252.22	230767.36	272593.84	260357.83	202373.88	236570.17	192421.39	236398.2	248895.5	136405.98	252083.89	241471.06	288951.84	220953.89	241117.98	322697.09	199062.42	211189.81	242937.38	256029.62	343822.41	287395.69	47195.85	275941.78	204113.45	331496.41	207519.2	168588.3	280585.38	249753.89	206768.56	222112.05	232776.05	281844.31	264556.06	236436.42	243041.64	217277.31	232229.98	183486.62	114451.63	306900.22	178175.5	234643.98	235317.95	225346.06	213028.17	258816.38	221691.42	211433.2	304987.59	261715.38	215463.12	307537.38	473842.53	243688.75	236363.5	250370	169877.75	211654.2	292650.72	298003.25	288639.72	356282.62	363411.78	165061.42	174504.38	216542.7	216323.56	301737.09	238165	272796.91	237588.86	259646.31	251813.64	245109.38	178552.27	181645.14	289572.47	277564.16	201791.83	282767.25	243679.31	194741.56	290298.75	235460.05	266927.41	207892.62	256261.58	209092.75	238207.58
L-glutamate	1988367.62	2115788	764423.81	2266678	1326890.25	1280691.38	1117691.12	1119545.88	739748.44	1542106.5	916293.81	1108892.5	740304.81	771219.81	639671.25	1256575.5	499395.16	1469572.88	1022949.25	513485.5	543451.12	362544.38	710554.06	276845.25	505055.97	525621.31	560255.81	440419.34	321592.03	1648339.88	710649.69	689013.88	429052.41	1596027.88	752250.19	1105342.75	1871474.62	412720	533446.56	797688.75	704239.94	1272488.5	1041364.25	1795413.38	1508818.12	703011	1223322.12	1819483.62	533802.19	663871.44	653500.81	2945658.25	1722272.88	620218.5	469874.84	1410928.38	1141691.75	1725986.38	1821189	1182987.12	1475584.62	1053345.5	1019629.25	597801.25	1292820	786631.69	2654363.75	957980	1481190.88	1722777	496306.66	358333.25	1069466.88	1117447.12	1690875.38	832826.5	761824.19	2076434.5	1041942.75	2266159.75	741445.19	620034	420310.41	706378.69	337154.41	915966.31	701270.25	727277	1639942	1209742.62	323053.72	858656.81	1089430.12	818193.5
L-glutamine	12022060	10089171	9902297	9541871	8839067	10502791	9245505	9160347	10469082	11366087	10382011	11134369	10370451	12345003	12061535	11512769	9223642	10583337	12763188	10111471	10114708	10493457	7454924	10997247	12664420	12721757	13106515	10598903	7568409.5	11021060	10364736	9930048	10861545	10925700	11238892	13586524	10216089	10204401	11335751	11907021	10448327	10730365	11379196	8091696	10663357	13221720	12936467	12738276	12041496	10507044	8965741	9523167	13121961	11274160	13491597	13177603	11579321	12042045	10301331	10977229	12793547	10585472	10002038	13904281	12007623	10832634	11048589	11121885	10712370	9402755	11751663	8486337	12374692	9773342	11837115	11276764	11053720	11518223	10863137	8776383	10424500	10094127	8906238	10971149	10281113	9004391	9144896	11690835	9767231	9442587	10254580	10999531	10797357	9158716
L-leucine/isoluecine	83832624	92841760	98291136	115968952	75248224	75008936	68898688	88671392	52918972	62129308	99992424	53802444	57582252	53501568	89986592	74709416	64198540	55249024	98619352	56613072	57244832	112483488	65523152	90390208	73006360	10074656	60194316	58585856	52711124	86588360	69415032	91718392	71700248	74774768	71712552	77271552	73065704	76221112	55008464	73341480	88562584	103271104	61227916	104445624	61620704	44394812	73251368	76643496	72050072	64788572	95825208	72208488	93360456	82418152	72648512	78872824	79210712	119487464	61967456	71435224	87739112	64129236	86580440	67991200	77309432	69960616	69774936	98156136	51617228	82591128	66087952	51087220	64964400	76491776	74785400	66203276	76759608	85940920	65173324	113835288	61409248	76911896	51387596	81469544	68624200	60407056	86494560	67405784	81009256	105135384	89519496	75866368	78270200	58383428
L-lysine	10893395	13520037	13617173	13685943	11644576	8970251	12017744	8856448	8977824	7070339.5	13861469	6789879.5	7639524	9851325	11639633	10625984	11819320	10483837	12099031	10130500	7922326	11777565	13604021	12599763	10463181	1401932.5	11721367	8776373	10011845	9540973	9778136	12892501	9625885	8979240	11160435	13325831	10268213	9253407	14118597	8545340	9369549	13253320	10819434	9128611	10573621	8451469	14080308	11840816	9585620	9332956	10915843	12427019	11497936	11659739	12220528	10769909	12124752	15339547	10627951	10580691	11979963	9871487	11857467	12313941	12239337	14987071	12592501	15164275	9483713	9505249	9668514	9041713	10909120	11613049	12081167	8608683	11932411	10307010	11071931	9213665	9493543	14487933	8817997	12511203	10599401	11742955	9626665	10657761	10678195	10231437	13964345	11481273	10629207	8480195
L-methionine	5199363.5	7405603.5	8008256	8106854.5	6133113.5	5720420.5	6097480	6700184.5	4694462.5	6016406.5	7687813.5	5548144.5	4124726.75	7476632	7730414.5	6886385.5	6857228	7018756	9998454	5968958.5	5867556	8369659.5	8212001.5	9210793	5992167.5	731572	6091420.5	6596622.5	8528449	6571294	5596029.5	9512368	7322730.5	5078057.5	7166778.5	5870342	5237790.5	7713258.5	6113939.5	8334070.5	8179222	8924715	6243466.5	5153355	6455086	4955955.5	8304455.5	6423111.5	6603085.5	6262025.5	6893924	5273301.5	8311328.5	7354232	5975040	5670057.5	8415036	11362589	5523909.5	5801885.5	7486627.5	6378908	6329484	8459327	7432822.5	7178314	6218953.5	9425800	6066798.5	5291745.5	6031389.5	4457464.5	7813686	7138176	8835033	5677998	7482425.5	5986865.5	6534895.5	4596099	7057276	7223240	7226206.5	7493330.5	6912586.5	6238582.5	7398172	5964106.5	6499009.5	9017159	7532209.5	8565609	7313501.5	4998043.5
L-phenylalanine	22897194	41870752	45737680	48885396	31730432	20421842	35280416	21866100	20568486	26843386	24637658	20505224	18948842	19918704	29867862	23056362	30457192	34030996	24899126	25898064	22354014	27993818	23171686	27699494	26205410	4888501.5	24378106	22084918	24004352	25589266	21318298	30765974	26417622	21699742	24232314	29055450	21398248	23006330	19666914	20993800	23272954	25778346	23873734	27083078	23298016	17044438	21578786	29732582	21064310	21241222	26010640	23214150	25362870	26542334	22847774	25895370	27892578	35719336	23782480	24366522	23045554	24394856	33072998	23706058	23941032	21938982	22308218	29334642	23025294	26678074	21865246	23335882	22582274	25007464	23546986	19716746	27650080	24724450	24660466	25355158	25049214	32301176	30827518	29310418	28464250	27621286	25504200	27966262	33451360	28154590	36810320	28201102	28467114	21732482
L-proline	59197124	46517396	47877712	49810836	36905712	45183524	54344980	35236828	26874446	60700128	42717680	66498028	21588408	35707152	66597772	60759844	73090304	55975324	51642816	58895488	27881910	38919320	54118244	46498572	97087272	239259.45	52052032	26226352	83512952	81199336	38157312	65539628	94102400	50821232	71597120	43335836	59167808	111692840	58869840	76150544	80263336	75856672	32864272	44195252	56572336	54135436	74596456	41925252	47336660	35047492	47236604	56667764	59061012	70275392	33093270	37249756	130744360	133326048	68998760	41410468	66403596	26991088	23262670	70351832	72269232	59520864	59591692	74943472	26262392	57842500	40632932	29330282	83823688	53085024	86942992	38922756	63159492	81547872	39821772	33418902	53907168	66950192	55764092	67093580	55093472	46236252	41208604	74209080	57049108	51162124	53701184	57942960	95670808	30537350
L-tryptophan	183450480	310071456	289024896	379178976	266058800	152700272	287402208	172307216	182559024	212103888	215767568	176713872	137598368	223270896	280475168	194663168	283748032	288239136	254123824	261026368	186716720	164459552	280409856	215191632	274349408	11214235	187987792	204719056	265275664	211917744	171311536	251164096	221972224	153900592	212630400	152044976	188345072	228788816	172910448	188002816	198489936	255347376	213371216	188089664	166184000	242480240	218097024	284482336	179860784	211859184	208849408	211414208	213334912	263764848	229687984	244505872	252455664	291409920	273316960	199739952	232682864	200351056	271857376	209116544	202917872	240915152	248397040	283997536	194959184	200779664	229163312	214863824	256843152	248746240	254044352	161485120	239109312	227749360	225641424	163129424	246531200	331485952	291710496	260298496	281250624	233210944	218550592	219623680	240032880	268349552	296175808	265926336	285154912	182717952
L-tyrosine	13420287	24474330	21361072	28196166	19521456	16927466	19762778	16082589	20337864	17858956	20898824	16395896	16405612	25774640	21194990	18302360	20995678	23690382	25627546	23025814	21498716	20180880	24695546	22717594	18239802	2516387	18272774	25622408	21262772	19657738	16450505	25058842	22016656	17914446	21890016	14635321	19210630	26170568	19096238	22191674	19930910	27090864	22541904	21031630	18095702	24348224	21716170	23541648	18601314	20636450	21850722	18113206	22915310	16507416	22494134	25418762	26350330	32678646	21400194	17587336	24311286	21216708	26238566	23080162	19086778	24924578	18942168	22722198	22200854	20755458	21360342	17203866	24914090	19889774	30481430	21038950	21863578	17309590	18713802	19148936	19879580	22716582	20305102	22083706	19479486	18004298	19051486	18757200	29940306	23153088	29390360	22343654	22820378	19491926
L-valine	99409128	106587808	116540312	122699032	81035256	77893432	87195112	93810264	75092896	67253864	110426792	75375696	62944132	78044104	110750592	92280056	98576536	71627976	114382872	83881208	67318856	123267608	78922376	90957440	94005600	9634621	77490296	69550376	69888280	96061280	74972704	105757032	87120840	84434024	102622888	87984600	88685288	92689696	83452544	82366760	115398696	111068320	98011160	130188328	76492536	61438112	91220616	103613888	83115048	81218144	102074200	86043752	99101592	101309280	113553512	100529344	103657024	113838464	78614680	92928232	104614776	74586408	118244200	84180968	83854424	93121880	75408640	112857384	68070824	97530024	94230528	75293936	87550240	92074776	94580248	79253264	90696096	107136072	92292736	131339544	78350544	106916296	78197176	95423168	92986312	94430184	108378080	89984440	83707552	127909544	99594232	102112768	101366656	66010508
AMP	1927.11	49274.02	3718.61	16368.64	687889.69	3356.07	232689.7	2175281.75	19545.35	358546.34	2034860.88	599732.75	469658.28	1309444.12	354296.5	29437.15	309110.41	1181242.62	2774714.25	29460.91	1454252.62	397614.22	285583.59	797850.69	920661.69	8810.17	305022.97	610437.94	365892.5	1466050.88	1088093.62	655704.62	2782375.25	438302.12	515778.5	118890.35	1244801.5	2315311.75	105804.1	1467490.12	736485.69	0	21030.62	230273.95	46579.59	5199.12	107902.93	0	3125.81	53831	710899.25	15087.67	3039.07	90593.76	10471.47	2066.33	299928.47	9154.3	728229.19	14370.59	456997.97	189193.98	10551.45	12791.35	66442.94	1990363.62	141287.14	17530.78	36823.57	1488639.62	673914.38	84384.81	4204.34	12914.36	0	3041.92	2882857.25	13802.3	132141	3186.23	1392790.62	664931.69	333401.97	3131296	187429.98	180620.7	962248	553115.88	844912.19	3089632	1981550.62	1202911.88	2083601.88	152617.89
Adenosine	30012.18	781312.69	971183.81	701216.5	3666009.25	98017.88	2600853.75	5813018.5	1026957.19	4093175	4603350	3903722	2655259.75	9285661	4099032	1551847	1393692.12	5141174.5	5281207	4025490.75	5900156	5169504.5	3549500	4527284.5	3100874	13196.54	5021461.5	5447957	5272134	8782275	5604540.5	9584791	6588716	7587262.5	4420464.5	4760680.5	5445090	6504229.5	4600539.5	6892859.5	8791007	133501.45	457497.59	2944386	2559284.25	2130065.25	5536611	1365425.88	701370.56	1301242.38	4149262	44953.46	139323.86	2224841.75	1039375.25	617745.56	8822319	18042.69	6553701.5	383112.88	7274725.5	4230586.5	87798.57	1437281	1244453	6974482.5	1801595	971944.06	2776098.75	9392297	4085931.25	5164280.5	2189632.5	242794.67	554421.56	412770	5997898	895142.75	1757576.12	22424.78	8954072	5973218.5	3575132.25	6216404	5373508	3625893.25	8649541	4482981.5	7083905.5	5477738.5	2639768.75	8464069	3821443	4076898.25
GMP	14117.97	23754.91	17723.02	34524.29	209087.06	0	179929.42	492262.75	83929.5	185093.3	537194.94	262975.06	154587.94	403370.03	188829.67	43049.75	171922.95	308946.03	645182.25	33512.44	454638.28	179551.3	160919.41	217788.19	208237.38	0	122002.88	199616.08	146815.55	332366.12	295612.19	211082.05	524315.5	170730.42	206930.92	83668.75	357292.16	464835.25	88019.6	448985.84	260941.98	0	15351.52	110040.74	80445.66	18241.36	20387.51	12112.95	0	23159.55	353742.62	17551.68	14833.51	73385.49	22953.46	0	101749	41952.67	318614.5	0	138359.81	134195.34	13431.39	27515.83	27797.11	660624.31	102970.97	10292	29336.59	435591.59	226452.8	57953.79	28543.73	12888.4	19238.18	25481.55	423318.16	20315.68	75151.95	8882.69	377233.03	214605.42	167231.36	545977.81	154952.89	105487.26	349658.09	201992.31	291899.91	523143.38	343405.28	370030.84	358287.41	64071.54
Guanosine	229846.7	627318.06	543452.94	299779.41	433636.34	446566	570511.94	577924.31	916182.25	586663.25	621578.31	420257.91	701109.31	603265.44	782051.81	663084.56	429423.53	560828.62	436517.25	718726.69	643060.81	604499.69	992053.56	618601.12	195363.52	9307.69	393523.91	568615.5	927922.94	648279.62	350712.78	1055922.75	288971.72	651132.44	547321.44	564964.5	531534.94	453897.72	776059.06	432538.84	695949.69	174929.95	253919.56	737574.94	555403.81	393087.28	696456.31	675866.06	200157.5	503754.41	950085.5	44525.66	131832.41	621273.06	637438.69	418228.03	848281.81	48819.87	997367.25	264704.22	662315.31	662634.06	217897.58	320493.72	454391.12	557051.44	793566.94	584331.31	694933.94	906613.94	516106.22	926511.69	641429.81	302448.34	238968.69	341588.91	199350.86	474203.03	278365.12	84188.79	485320.22	411578	684391.12	189423.36	610534.94	475803.66	386527.09	375083.12	633483.31	203496.81	310676.41	585637.06	165407.8	709196.75
Guanine	218931.75	325778.34	320714.53	297927.91	223232.62	250898.17	287428.88	294773.84	356159.12	272931.91	340214.81	238573.81	137821.17	300965.41	294553.88	293830.53	257485.02	297476.47	458197.84	260195.7	312498.5	333428.41	413381.84	382186.38	265136.47	35861.25	264875.09	270205.09	346095.22	305310.41	209537.27	451336.53	259466.33	321909.59	291092.78	323738.91	257397.95	352863.12	354749.38	356480.34	382045.62	391836.72	239488.88	322716.09	307604.53	212857.05	376466.72	270002.78	245795.11	247493.42	423732.66	198729.31	348411.47	257931.05	321724.41	218287.42	339194.47	468218.88	348692.88	256347.7	313262.84	256999.7	152159.95	375731.91	294763.81	331304.06	320163.25	301894.47	310824.53	394490.16	261724.67	347266.69	322962.88	274562.09	358184.03	292362.84	318122.22	232307.88	259084.17	188876.23	297519.72	256368	290324.66	290724.03	302711.34	260002.62	274220.66	244885.83	377689.72	389083.75	357575.84	338157.59	311559.66	258131.98
Cytidine	0	0	0	0	4790.09	0	0	0	0	0	0	0	0	30312.35	0	0	0	0	0	14153.94	0	0	0	0	0	109993.29	0	0	0	0	9729.4	0	0	0	0	0	0	11832.37	0	20958.66	0	0	9188.47	0	0	0	9597.3	23606.91	0	0	0	17779.21	0	0	22657.69	0	0	0	0	2165.58	11864.19	0	14507.57	19806.1	15958.71	0	10073.25	22604.43	0	0	0	0	0	0	13304.88	21214.37	27385.27	0	0	0	0	0	0	0	0	23498.27	0	14535.98	0	0	14055.11	0	25192.39	0
IDP	0	71060.2	0	63012.09	54094.35	10253.68	50300.07	57231.84	104196.56	56926.33	18633.08	16326.51	61206.44	40438.64	86182.89	14801.82	150254.62	30567.53	54229.85	71377.71	49024.72	94768.52	82007.46	207348.89	177869.31	1972473	28932.92	61685.41	69065.19	0	71691.22	0	132878.44	0	60152.8	57970.09	0	22168.03	110465.37	22524.56	36782.68	0	74651.35	0	0	16265.24	0	38303.36	81983.89	47903.25	23131.67	20391.02	171123.23	23214.44	105757.66	0	14364.99	28717.07	17674.05	22392.14	32123.81	50695.55	21359.65	127475.76	30248.05	43685.57	0	13744.39	58685.28	24216.36	21583.79	104056.38	136502.64	15939.75	49938.69	64381.3	19006.59	23699.07	81880.59	27876.67	66200.23	14978.39	160648.59	50759.34	176632.62	86673.79	107785.02	0	22934.15	51931.09	51730.29	51441.64	92594.96	58906.5
IMP	0	0	0	0	0	7615.01	0	0	0	4973.7	0	11648.82	0	0	0	0	0	0	0	0	0	0	0	8408.56	0	60149.89	0	0	2349.5	0	0	0	2334.27	0	0	0	10675.21	0	0	0	0	0	0	3708.66	0	0	0	0	9482.9	0	0	0	13109.28	0	16602.9	0	14347.47	0	2866.28	0	0	0	6424.72	0	0	0	0	0	0	0	0	0	0	0	0	25394.42	0	0	0	0	0	0	0	0	0	12187.92	0	0	1990.71	49311.86	0	12810.87	0	24470.82
Inosine	249833.08	1308891	739137.81	569324.31	1079367.88	448230.28	1693120	1901788.38	1731134.62	1311784.12	1944786	968415.94	1701474.5	1196802.12	1723453.38	1038074.31	1495571	1255424	998522.5	1202048.38	1702555.62	1379082	1913593.12	1461976.62	707287.5	62928.28	767156.81	1139607.38	1835225.12	1271777.12	761478.25	1730903.12	779055.5	863464.81	1407964.88	900225.19	1110697	1403845.5	1049028.62	1109781	1815958.88	216563.5	389274.59	722137.56	790734.94	521503.34	944825.94	560563.94	358279.09	679541.56	1399621.5	109763.52	274445.53	937724.69	695683.06	294475.84	1750662.5	60499.24	1330512.62	482719.66	829709.19	860623.69	280246.03	794238.75	505291.91	782908.69	933462.56	607638.69	1133056.12	1252571.62	1353037.12	1660428.62	1305605.38	239359.33	175045.38	415703.84	537705.31	487794.75	470531.25	79990.2	973577.19	650484.25	675866.5	501162.47	614341.69	456536.88	1364527	674910.56	1145672.62	867426	861869.81	1209077.12	542608.31	1058313.88
Hypoxanthine	1673369	2713754.5	1624615.38	2324056.75	1566449.5	1429208.38	2684554.25	2996187.75	3371553.75	2756530.5	3596241	2111266.75	2590593.25	2246974.25	2776923.75	2164672.5	2240066	2054985.62	2310080.25	2223695.75	2585156.25	2383389.75	3752356	1801493.62	1491177.62	511554.09	1409370	1742750.62	2789023.25	2417907.5	1444692.12	2875322	1389176	2324283.25	2706878.25	2598368	2321097.25	2369669	2453772.5	1970638.5	3250557	2832316.25	2684265.75	2975886.25	1640908.38	1031143.69	2610659.25	2079393.12	1552337.38	1890202.62	2826500.25	2765042.75	2258810.25	3120734.25	2384881.25	1449711.5	3355396	3296192	2354053.25	2001791.62	2781268.25	1960892	3236383	2192000.25	1988150	2375034.75	2366352.5	2275191.5	2057962	2693771.75	1979315.62	2690943.75	2885361.75	3048748	1157554	1803343.62	971256.44	1983978.38	2516795.75	2563687.25	1623761.5	2253783.75	2616866.25	1018257.81	1895893.62	2023180.5	3019702	1584781	2093605.38	2304223.75	2072721.5	3051846	1482524.38	2197595
Xanthine	105762.93	121012.96	129799.73	175691.17	60790.76	106990.54	136725.98	140019.81	187748.55	133765.84	72617.37	90302.1	157833.12	164627.52	157239.48	84322.43	101117.21	54105.14	94349.03	261977.64	81004.12	93058.49	156246.44	71287.45	210791.25	355866.72	57178.97	97168.9	93697.46	129183.09	54496.11	81724.3	148134.7	210457.08	169525.48	135487.14	123019.19	129049	113944.63	133381.59	115572.7	396626	408460.38	198104.95	103716.73	119253.7	171015.98	208841.8	262107.06	235012.36	135222.62	419991.16	442507.16	211988.67	198643.36	163570.3	168517.53	363335.41	131156.73	274967.41	216351.58	210313.7	280984.09	266621.84	158064.73	137583.95	178612.83	270345.16	161003.83	107839.98	96097.4	118508.98	250510.77	326653.84	140296.77	219352.3	16313.49	148697.39	260974.86	246170	71484.5	126068.73	131946.02	20665.55	100512.24	241543.27	127084.79	30340.72	91580.35	110948.87	97606.82	205126.44	93853.56	155699.14
Allantoate	1611226.62	1375411.88	1835678	1515832.38	1251639	1433073.38	1015049.19	1145933.75	897030.81	1197573.25	1021033.94	1312800.88	826744.19	934625.19	1273047.12	1431673.12	1399514.88	1116445.5	1195431.88	1113094.75	874620.5	1204653.25	1154303	1116624.88	1296790.38	122732.12	1219460	876286.94	1042567.81	1241931.62	1079658.88	1647752	1282372.62	1377077.12	1286621.12	1516022.12	1425544.88	1293924	1375068.62	1016456.5	1380867.62	1651892.88	1096740.62	1210979.38	1305919.62	902478.81	1386832.12	1172666.5	1001996.81	1193711.5	1158142.88	1865198.62	1195722.38	1105801.62	1210104.62	1371722.12	1604180.38	1887035	1486462	1400221.12	1473633.62	1109437.25	1446837.62	1060709.12	1430842.62	1285799	1676156	1737010.5	1122952.62	977876.75	1122783.12	924773	889208.56	1279063.38	1594911.12	1385168	1081536.38	1504191	1430319.5	1475635.62	1132926.38	1245973.62	1221480.38	1149433.62	1326038.38	1460887	800007.75	1496854.5	980479.69	1163417.5	1003257.25	1063111.12	1192787.88	611315.19
5-6-Dihydrothymine	7254698.5	1545657.62	3406266.75	1550740.62	1239561.88	2962951.25	1734870.62	1804176.62	1123952.62	1727405.5	1798603.12	4093757	1707667	1496217.5	2133316.75	4209964.5	2339432.75	843954.19	1781816.38	2363464	1709744.38	769041.81	1245203.38	1483702.88	1812240	235980.86	1249591.25	1832547.38	1593781.12	2399373.25	1380430.25	2004041.62	2132069.75	1842524.88	1733861.88	1005612.81	1584448.88	2092549.12	772414.31	2171022	1657102.62	2543519	1345127.12	2797576.75	4202750	1061339.62	2245602.75	2163228	992911.25	1128411.88	2472978.25	3010186.75	1229250.88	3485979.25	1806370.88	2735196.25	4581254.5	3449388	2073194.38	1093377.5	2772102	2617369	2417748.75	1033055.25	4876955.5	2727207.25	2365124.75	2961012.25	1731682.38	2247949.25	1078374.75	2010000.88	885337.25	4000277.75	1059044.5	1141116.62	2499424.25	2570069.75	1079367.38	1021559.5	834817.44	4964599	1208406.38	3070162.25	1170553.38	1241780.88	904204.69	3402115.25	835023.69	1898029	1043191.5	1524566.5	2017661.88	1364276.38
Pyridoxal	63759.66	50666.28	23492.88	45746.91	28061.84	22648.49	55512.68	51442.21	26259.27	57033.58	48832.38	101429.15	52582.33	50534.39	69665.76	39535.11	52525.04	70365.65	34199.38	64263.22	29136.47	31248.08	41952.8	59231.57	37997.97	86404.95	83294.81	39814.37	55729.59	86245.16	44157.28	26584.08	42208.25	50226.81	89953.99	61936.81	35005.71	40810.45	44829.78	43785.42	29965.73	122301.8	88779.44	90247.62	82201.77	47419.32	142317.94	69137.23	62859.27	61924.75	43348.62	60806.66	51795.21	58711.75	59106.64	47095.91	229580.55	288328.31	73315.12	23074.21	52202.96	74958.41	56642.5	94090.91	193209.39	38092	64402.98	277281.53	40094.21	49951.72	64761.19	70831.74	41850.46	68945.37	936239.81	56151.21	25775.55	41137.57	41533.84	53541.89	56082.77	60763.83	43893.96	54489.95	51177.8	61354.41	56062.42	68364.44	118074.75	80121.27	56466.05	75607.29	31255.5	22594.11
4-Pyridoxate	201297.42	82294.71	95999.22	128028.38	146513.25	126812.63	90474.66	107724.5	127420.16	105099.27	89970.52	75212.2	129146.97	98575.84	106030.46	127017.6	126370.26	103414.7	65662.6	113575.96	101367.32	56743.26	99258.71	85001.63	145223.8	83493.52	109279.34	117376.59	100048.45	65796.76	66298.38	123636.2	91780.54	70891.55	86276.24	96371.96	136851.45	40783.62	106260.78	84792.32	94258.76	89243.02	91312.16	166877.27	110710.84	63227.82	53041.43	84411.57	108257.19	60909.05	91788.59	77779.28	175255.38	66580.49	137675.23	149727.83	92872.88	72446.68	51537.32	88790.47	74527.08	171641.42	305279.16	188505.52	116610.49	111724.71	80305.59	137650.27	76373.63	146126.33	69888.41	113693.62	126117.48	133102.25	208475.42	62525.08	112382.04	135238.56	120659.7	141055.88	95358.38	316906.03	98062	108893	139167.69	140135.66	131158.38	119179.91	93300.57	159902.03	127242.23	96403.49	125061.84	131493.69
Nicotinamide	180483.2	254467.11	194263.75	288275.22	103720.85	143217.67	246415.5	97754.88	200538.45	135736.75	166110.42	127501.12	80116.98	127183.48	147756.73	125769.1	171280.56	125927.26	134994.7	154854.14	121827.91	113126.1	121183.47	76965.9	252164.45	39063.66	70315.36	87919.98	86973.34	160941.12	70449.78	92212.94	139922.45	234994.92	118210.48	132680.59	253704.23	80821.49	139652.92	150983.45	112285.38	167132.12	325886.09	108782.66	167274.19	81999.72	124378.31	123206.29	342268.28	149787.56	155122.33	150350.89	405933.66	142131.36	156042.5	87585.2	110862.91	151617.02	107126.66	274315	140998.12	111591.01	242641	306179.66	174959.69	652250.75	199962.33	224487.45	135515.95	114596.25	220430.36	111670.7	136520.73	279386.5	123809.5	157977.27	78350.32	243288.95	276430.22	173590.58	142058.84	258736	138081.42	87368.46	190680.23	127556.09	274246.38	127154.25	212861.42	259759.95	215519.55	335403.25	152662.61	138607.73
Maltotriose	160761.17	195002.94	186045.25	164746.77	1021242.69	332826.44	294167.91	296596.97	223318.5	194663.25	150222.61	227988.14	175713.27	179885.12	161920.61	169243.52	202836.52	596040.69	208807.12	202011.31	333522.62	217393.33	237300.64	251593.95	232657.5	327781.75	186875.64	219408.05	443523.16	283898.22	524613.81	236070.08	406526.22	340964.38	323625.53	309287.28	172604.17	316169.84	246761.81	251431.33	251199.12	245264.48	242021.81	264508.72	239870	273958.22	254214.33	194697.56	233134.42	406843.84	488920.38	330874.81	269926.53	260972.69	302183.25	279675.88	223783.88	203224.75	674128.75	148772.94	202038	310301.25	238329.98	201608.95	581307.81	164009.25	490473.38	185954.83	643945.06	228412.5	201464	187203.23	185088.12	205472	186128.69	224191.02	254427.05	282966.34	270864.56	200366.62	195339.08	251231.05	291223.34	390842.25	214340.62	277435.59	334676.62	229544.3	276254.88	233347.31	248868.55	269748.66	204496.89	471729.88
2-Oxoglutaramate	3728.72	2847.18	1748.32	2865.73	3998.09	1191.92	4261.63	1982.62	22465.59	2540.06	2010.08	4489.57	4043.1	9557.41	1903.78	1788.39	3302.07	2294.79	3367.85	4250.52	2919.32	5288.59	2606.58	3562.42	3081.33	96797.56	4367.89	17725.29	4635.85	3685.4	3287.27	3830.66	3829.38	3875.39	3145.22	2257.83	1560.08	2072.6	1558.78	4662.16	1959.06	4087.61	20493.96	0	4460.01	3718.73	2373.85	3589.78	4068.79	5987.68	1929.93	2381.03	6497.55	3644.2	16451.91	2630.86	27569.37	28502.86	3517.71	7614.47	1656.03	3491.04	3868.33	4424.98	9927.98	4887.14	1808.46	2368.52	4328.27	4029.49	1717.57	3993.76	41441.16	2023.03	4722.41	1997.94	2101.74	4440.63	3797.65	1850	7208.2	11641.33	4174.47	20031.48	0	3542.66	4046.49	4051.16	2102.42	2252.33	4151.07	4829.85	1793.27	2778.8
Glutathione	0	4756.4	2018.01	2272.71	0	11141.67	3490.65	3002.57	19992.7	33478.06	12753.7	1639.61	2645.08	0	22288.13	0	1511.6	2726.49	0	19991.02	3391.16	26115.81	39380.5	1635.43	14275.41	9459.09	0	0	24452.52	0	0	0	11172.96	1668.26	0	0	8292.76	5573.53	0	2081.64	10297.79	0	11457.85	1671.76	1802.3	2254.05	17394.1	0	55369.81	3137.72	23095.42	15588.58	0	1552.86	32602.45	26971.55	5558.33	0	9419.72	3622.32	2854.03	21836.61	10372.43	1839.56	21644.6	29026.49	0	0	9182.23	0	1698.4	1720.15	0	25100.73	19512.37	2631.56	0	2035.94	14612.65	0	0	0	2051.82	1703.11	0	3068.23	2681.39	0	8376.45	0	0	2749.38	3326.02	3223.19
5-Oxoproline	3820590.25	3569844.75	3304868.25	3554402.75	3139800.25	2442353.75	3305289.25	2906784	2530762.25	2655070.25	3247640.25	4045448.75	2419557.75	4597580.5	2794608.25	3550536.25	3219764	2366305.5	3810193	2222763.75	3085126.75	2406249.75	2588788.75	3211270.75	2894650.75	4075362	3331369.75	3306000.75	2743170.75	2804533.75	2483581.75	2316520.75	2850593.25	2601490	2849231.75	4514267.5	2643659.75	2404059	3706285.25	3934022.75	2467755	3628898.25	2829069	2765740.75	3219329.25	2873706.75	3320647.25	3371013.75	3698666	3028487.25	2544680.75	2445529.5	5415870	3555076	3448444.75	4214480	3699792.75	4163500.75	2507735	3430268.25	3708251.25	2734920	3411068.75	4949396.5	2700512	3616150	2646085.75	3776112.75	2603904.75	2858351.25	2827883.25	2877344.75	4484246.5	3408255.25	3669702.25	2484196	2410241.5	2886388.25	2650589.75	2997946.75	2364834.25	3465022.25	3276475.25	2390053	3240501.25	3143186	2289842.25	3694013.25	2940248.75	3560986.75	3623184	4428739.5	2920563.75	3095195
gamma-Glutamyl-Se-methylselenocysteine	755332.94	681493.38	318903.16	569802.12	683760.69	777374.75	564570.31	610891.81	326382.03	475987.03	603554.19	670394	324385.12	514083.38	466674.75	474611.66	509087	459480.25	590582.5	410425.66	495258.22	483990.5	431843.25	656598.81	729042.06	27323.16	507071.75	463235.41	523938.53	620801.19	670092.38	539282.19	532629.56	239549.12	676354.81	675960.75	583754.56	701994.31	489666.09	326146.56	521121.03	590587.81	394246.97	418525.09	775006.5	504179.62	212711.92	661666.5	398032.72	454030.22	672248.19	707765.5	419372.91	378079.75	218954.8	238560.69	591976.69	1013681	243356.44	734870.94	551686.44	682288.5	246117.44	160290.39	487722.75	660232.81	915756.56	605937.81	637690.06	340785.53	592273.19	307134.91	178690.23	205474.11	797755.69	729822.69	443694.91	253858.44	269749.84	790190.19	576212.44	617498.06	359596.66	606590.44	442106.09	451251.59	157218.48	574917.69	377289.75	371785.25	385723.28	381706.16	607817.62	549046.31
gamma-L-Glutamyl-D-alanine	232550.14	346732.81	328520	402532.97	326696.12	220154.8	414711.38	188319.12	225335.95	384367.47	290016.59	349445.12	155574.17	391081.88	290062.09	299800.28	406962.72	432231.91	385682.66	406635.47	254309.67	254516.81	504831.09	337942.34	227285.86	45775.98	213518.52	245699.05	676292.88	221047.33	187479.64	419964.75	427027.91	287872.09	247005.5	258497.45	219688.05	833936.25	331578.59	447337.84	455838.53	421171.66	483278.41	137211.8	315769.91	384744.09	401204.91	435928.47	183902.27	360526.91	338350.25	328157.22	281065.22	467199.38	352118.47	287548.72	429102.53	739542.69	384460.09	320377.53	226965.88	339997.44	333722.66	191846.17	398352.59	401958.34	276071.41	403191.03	325162.78	151790.98	386101.38	436683.47	483004.16	436154.66	400971.72	392955.88	482158.91	294597.53	208415.11	251263.61	213742.5	434563.84	602077.06	503058.66	242346.17	201699.7	239576.05	302608.47	396516.91	211092.69	501741.5	418838.09	389530.16	187823.58
gamma-Glutamyl-gamma-aminobutyrate	122591.65	95691.9	88079.88	98307.73	52628.12	56267.57	123404.45	103216.65	26058.81	76667.86	112268.57	61796.39	105221.79	107608.56	63399	97379.77	81405.02	64633.05	134473.33	19165.38	59870.71	79845.34	112815.85	151555.36	54678.5	423786.66	69570.34	22888.35	100885.03	66308	105711.59	76038.44	77756.27	56927.91	33208.96	63484.95	71101.79	63506.64	68563.37	83173.9	60890.08	53698.18	81119.55	62947.68	50881.21	81142.79	46438.68	62120.59	121076.66	100680.66	107347.77	96896.15	142651.25	36896.52	73199.63	103303.09	67438.85	93699.66	72667.54	75145.3	105183.31	96709.91	161939.42	67855.16	63699.88	85818.34	36242.67	113770.4	88073.5	38686.53	52051.11	83202.69	94534.52	51141.09	96893.84	51451.96	46193.66	32222.28	116261.7	119328.98	71459.39	46977.2	65288.61	66859.5	40813.12	67297.76	77483.7	60573.48	39614.11	143491.08	87763.53	55324.7	65763.95	71523.84
(5-L-Glutamyl)-L-glutamine	450621.34	523791.12	556455.44	590380.75	598653.69	547096.38	650660.06	301664.84	323987.97	581170.94	475767.41	394645.91	401407.97	430351.78	517777.84	470693	514081.09	563854.44	474040.59	441047.53	397816.66	407299.09	427072.78	491620.34	617125.69	166717.7	543158.44	355501.5	331162.72	427450.84	412202.91	452132.53	547153.44	451562.5	462303.28	413122.12	347319.88	466045.59	415142.75	546175	500078.09	463323.88	502540.5	227288.67	484017.91	570262.06	468904.03	450171.34	616326	422857.34	404674.59	465023.75	644617.44	543998	704184.81	470148.16	464245.78	574615.25	470179.41	573084.5	425635.88	488801.28	496743.78	501590.09	442315.72	389826.66	567306.94	584840.88	448729.88	335635.62	495673.09	396352.12	470995.53	512654.97	539154.56	555983.44	412042.84	399387.22	341467.53	434978.28	387957.75	367659.41	332882.03	431171.91	342483.19	371980	339013.62	421365	517330.41	215962.3	405289	418124.97	357311.78	431706.59
L-Homocysteine	170581.64	176308.38	119446.4	221127.56	209352.25	169500.61	156709.86	338833.69	110812.4	258305.8	258354.58	176320.05	121438.84	297782.41	285746.62	137393.62	282475.34	192578.55	385268.38	170331.72	147954.39	235119.08	127170.44	244087.02	324094.16	38038.47	239429.88	189329.88	211689.23	206443.17	159642.64	142361.92	365147.03	189859.12	249209.08	247115.5	202690.42	254970.75	174443.98	379193.09	226358.25	232985	198561	204980.95	301251.69	177377.75	234124.94	339157.84	341458.97	211759.98	113007.41	124543.94	390828.91	183727.89	237306.61	212211.38	253191.2	260227.95	158649.19	171198.31	245110.33	182472.45	224390.06	217736.62	283194.59	199069.56	188540.45	247264.12	148133.55	136444.39	234001.06	223725.02	257784.73	177581.75	265700.91	283222.69	351764.75	269243.41	239660.92	202040.12	198623.3	206634.55	250782.58	367980.62	229910.25	288518.91	183594.52	185852.61	167099.73	335926.34	172636.25	361111.09	228294.42	136985.67
Dimethylglycine	3686701.25	3199067.75	3221517.25	3407410	2671719	2267888	2715954.75	3511714.75	2488128	2240304.75	3488552	1256762.88	2839827.75	2100819	3094612.25	2560460.25	2405112.25	1638458.88	2702290.75	1727760.38	2114720.5	3098724	1433900.5	3722465.25	1624956.62	434617.16	2360800.25	1724091.62	1571470.62	2520967.25	2610530.25	2423659.75	1815309.5	2187883.25	2024913.38	3163761.25	2034261.38	1018589.44	1407004.62	1834624	1716288.88	1494589.12	1430440.38	2162828.25	1913992	1190253.12	1238829	1399270.88	2481427.75	2005860.5	1742221.62	1394814.25	3259291.75	1319086.25	1595008.12	2582139.5	1589371.12	1278123.12	1213897.62	1620360.62	1747907.38	1425871.38	2205443	1834629	1280425.12	1634861	1241252.62	1817897.5	1405120	1620357.5	1390580.88	1562997.62	2155539	990716.56	2025434	1337623.62	848669.31	2336432.25	2097046	3124611.25	1991286.38	1498208	1638910.88	1038646.5	2666179.75	2548585.5	3651082	2336029	2302720	4288859.5	2369152	1712167.62	1388663	1547186.5
Ornithine	3432606.75	3084269.75	3227355.75	3252413	2169461.5	2479693.75	1987529.38	2116178.25	1931963.12	2116133.5	2189247.5	2606506.75	1661733	2015977.5	2821060	2974686	2925523.75	2400501	2609055.5	2138798	1704307.88	2636021.75	2553446.75	2496072.75	2728347.25	179986.92	2669142.75	1742898.62	2044553.88	2446755.75	2143030	3522209.75	2778723	2782385	2625892.75	3429552.25	3125876.25	2557151.25	2913500	2289156.25	2899441.25	3332194.75	2312795.75	2812457.25	2720492.5	1831568.5	2894037.25	2510630	1888522	2442226.75	2577058.25	4152721	2545310.25	2322662	2678309.5	2907873	3480178	4089190.75	2868619.25	2891631.25	2960791	2135020.25	3146994.25	2187856.5	2978229	2985161.75	3242114.75	3636757	2054072.5	2028984.38	2270519.75	1694120	2143836.75	2641754.5	3063680	2505764.25	2327228.25	3331150.25	3053989.25	2988192.25	2340770.75	2373488.5	2328271.75	2409304	2612561.75	3334680.75	1604585.62	3103863.25	2040080	2167129.5	2222788.25	2425113	2413481	1795721.62
L-Citrulline	1501167.88	1124871	1459111	1084539.75	942733.44	1241209.62	284450.72	985022.81	934635.81	998798.25	1327373.88	1881974	904615.81	1223355.62	1642711.5	2122727.75	1205615.12	1154702.88	1586242.12	1042831.94	947691.5	1137523.62	1091434.88	1671887	1699869.5	231132.58	1534008.62	1006910	1270494.62	1489189.62	1483767.38	1467709.38	1532190.38	993840	1462979.62	1745629	1434763.62	1466056.88	1564601.88	956419.06	876539.75	1246898.38	1303493.88	930529.81	1751650.38	1570684.38	1265334.5	1620346.88	1528831.62	1157530	1109475.38	1240399	1450891.12	1636529.12	1702762	1320003.12	1320638.12	1280428	1314635.38	1148741.12	1494970.5	1601416	1293843	1658174.5	1624228	1180732.88	1670964.62	1847327.12	1505935	1584286.62	1376827	1139632.38	1441229.12	1737188.38	1679224	1056841.38	1304389.88	1144693.12	1610933.62	1117493.75	1374986.38	1221972.5	998074.69	1386738.62	1495514.88	1484354.88	1538980.62	1770282.12	882293.44	1393385.62	1214823.12	1385323.5	1508375.62	1030060.19
Spermidine	68678.58	111476.9	135907.86	136309.5	142711.83	70994.79	107209.38	121120.09	46526.45	90361.95	106643	57668.02	81039.59	92949.79	72112.06	70853.41	96009.81	78606.15	85610.07	95065.38	128016.94	76327.47	147665.8	67167.66	90342.34	174787.95	100579.32	99169.91	105820.55	84183.48	103625.43	84798.43	100503.77	60879.94	43398.03	76323.09	77017.35	100302	58440.29	67569.27	74818.48	73461.18	83974.8	88503.66	69876.55	74648.41	90319.75	69469.62	87074.45	66173.87	101441.87	114667.02	91447.59	118386.5	73847.62	76867.55	55735.07	48576.89	91810.16	87506.88	64609.82	84917.41	119718.94	121284.29	71901.66	87734.06	70239.04	84150.63	90830.1	76044.36	66688.81	57358	75949.75	117064.6	57214.25	74274.52	82680.81	60838	131021.03	64905.82	83839.78	134988.77	98142.4	75623.02	91117.04	94820.45	79776.45	85184.27	78975.38	117916.62	124327.74	70699.68	87253.82	98248.98
Spermine	51629.3	44480.76	105198.69	73694.27	50965.39	47815.62	49977.59	29029.49	28291.14	25932.65	29208.46	43933.26	16764.37	16510.29	24348.34	21985.03	25314.62	48233.58	32050.85	42709.04	30420.38	35796.29	79355.24	23994.46	34270.79	36775.2	30281.12	36062.96	15188.25	41680.7	14884.96	17383.28	41300.63	17075.02	20625.92	11616.02	49927.53	40676.65	15843.96	12564.87	23775.24	29822.51	16165.91	39650.32	29994.86	15683.17	14345.18	28037.67	32646.16	25846.27	31470.26	42751.13	16320.75	11783.25	22852.43	16991.06	13540.33	26564.28	34729.11	15795.28	16032.9	19068.49	35665.03	32309.36	30075.78	40344.53	14097.88	30803.34	25903.41	13380.95	32167.41	18738.85	18610.83	32300.08	15158.91	13344.82	12050.83	26845.11	37430.33	41792.45	10960.53	38378.29	32948.71	12834.32	15642.86	48669.16	40692.95	17834.79	20217.73	19478.03	28374.51	36152.72	30587.81	33929.97
alpha-D-Glucosamine 1-phosphate	6868.71	12757.62	15185.56	11858.08	18528.7	11585.74	12186.09	6653.78	10775.32	26060.06	8856.03	14759.31	6736.48	9907.12	4720.37	4658.58	14014.29	7482.67	7135.06	8925.71	8100.64	6828.92	5526.23	13651.21	11708.64	52681.29	12197.65	12401.15	13204.85	17436.26	16969.58	13002.99	21539.51	3803.21	20858.08	18362.18	4924.48	7053.1	13922.49	11996.81	5126.18	4188.18	21967.05	10473.81	10082.27	11546.7	11034.08	23107.45	9835.31	24091.74	13439.58	5150.01	10745.04	23013.39	10943.56	15533.8	14111.59	9772.12	4660.21	12848.62	10383.98	10806.51	12265.57	19822.55	9959.59	14304.69	7121.39	11623.22	32097.24	4518.48	17714.02	17721.13	12951.72	17702.13	14616.18	12257.81	16060.53	9332.19	16297.1	6653.52	16940.91	31137.34	17014.61	13938.74	14081.48	12614.83	4814.24	9869.21	20169.09	27644.45	12225.67	22055.69	15149.88	12078.83
5-Guanidino-2-oxopentanoate	46987.1	11369.9	13440.6	23029.89	16500.67	1710.16	10585.89	29009.06	24143.14	21304.45	20385.49	10096.52	11751.01	13190.51	81439.53	27625.4	92095.2	56260.89	24522.88	90996.06	21685.3	14482.6	57506.73	14935.44	70453.34	72381.91	34958.64	20161.29	18441.73	33000.18	11686.41	44211.23	36671.94	21301.35	54041.13	25297.8	22613.86	2095.56	15846.15	25714.29	37030.63	57418.05	16637.15	16843.26	15910.27	1798.8	18951.03	63820.04	1375.27	16340.24	9667.98	15265.48	1980.19	25912.91	17555.01	2910.32	75723.93	73204.15	15496.09	24295.86	14686.77	1848.07	24938.89	17383.21	28225.36	40883.73	18989.71	60511.55	15193.53	28522.37	26281.59	13708.5	20858.48	53579.96	58653.41	14735.54	81332.1	24036.79	14126.71	47605.35	18139.2	26952.62	31656.5	98209.25	32003.67	19847.52	31170.74	7698.09	16126.28	51469.41	13696.09	144626.27	65006.42	14079.84
Creatine	9940093	21598176	14860317	22016742	13235408	6576032.5	13916144	49485252	14161081	9660812	7513079.5	6698062	14972901	6361696	13733468	7120408.5	13725491	15287907	5125373	14534036	9657936	21469594	13119421	22132706	6755636	16249411	13397339	13017705	11030196	7358593.5	14765768	16207699	10275364	8379110.5	12166824	16700024	8829277	7187700	19220040	5132369.5	6144706	17626398	14145487	15858677	8414163	13119605	13886159	10883171	16266640	22075702	10999436	14541880	19183450	3511238.25	11032757	17122816	9738990	20393938	12529481	14785764	8786077	7784152	17135714	16053208	9190497	12319731	15294413	15110525	7610940	9165532	15629425	11723300	18622102	3213151	20062838	15048736	4423152	9693499	15084107	20232962	19164226	5764812	16432716	4585819.5	22347362	15392640	21451574	8194604	12010996	7884990.5	15654107	7641567.5	12303801	11975360
Creatinine	11985295	17588448	24779482	18407086	23845778	14035691	16370759	9740792	9966079	14208415	10621368	12077692	10519051	10004165	15422027	13962509	19909822	13132897	11048415	16979134	13844827	7579460	16672267	9830939	16740291	30745894	10133155	13401605	16948286	19621890	9325362	19580680	13641923	13116741	15045136	7369831.5	13573561	16984972	7661929.5	19786634	16290652	14436343	13695320	18494590	15983467	9779389	13979065	13453035	11907263	9704511	19272778	19865106	10431777	24173238	17398826	10773075	18535950	18329094	18591832	8098306	15491647	14015557	19952410	12195817	18260382	16042315	14867371	22443150	14258872	17339158	10798785	18621934	9222808	21051334	7784376.5	7595078.5	16849602	18289542	13402112	9625555	11478147	25194848	15846003	20573454	14267925	14792921	10177467	19769334	12857672	11453165	12759795	10032531	17134018	14668900
4-Acetamidobutanoate	174960.19	252963.61	230740.06	249115.44	202663.44	122935.09	228764.2	155638.08	172313.86	142936.22	287951.53	268399.22	257670.44	234453.5	218161.33	171430.17	254908.14	257154.52	208688.95	275305.62	193144.48	126723.09	317409.97	186526.44	242725.33	164447.92	175710.92	157657.55	351106.75	232524.98	184607.42	220349.83	250400.88	135512.45	161660.41	169918.36	271183.62	328382.66	275406.34	288713.53	331441.91	503632.41	260313.17	124164.5	223115.39	314443	418662.97	214207.3	277274.34	279435.41	225299.17	215092.92	288727.78	214158.95	189123.02	173657.08	788646	749712	285120.38	211092.12	213212.44	151530.17	281639.88	288127.62	786387.06	274450.78	199718.62	983719	172797.7	151392.83	284487.62	235257.89	228829.61	288211.53	3471447.75	224397.25	225150.8	260893.7	198088.83	183782.39	216064.92	226152.05	259624.83	284236.56	225396.92	192979.81	246765.67	199797.17	445752.75	307055.31	476455	293742.91	299557.91	208933.25
N-Acetyl-L-ornithine	1178821.25	372393.25	510151.84	553007.25	303397.47	301376.09	431739.66	121690.12	224673.58	194499.64	1343644.38	448447.47	133388.73	268065.84	232784.27	384894.72	369368.34	532942.38	531425.69	465716.78	109568.65	232245.5	1403455.62	484740.34	170540.25	179263.5	218424.89	145553.3	528092.12	388091.53	324299.22	415437.97	180920.62	222461.86	295974.22	312592.78	478764.84	2030314.62	518747.72	453426.78	494066.09	293692.84	201561.89	425000.97	320198.28	472108.34	336426.03	737278.94	226177.31	854711.06	260160.45	449750.53	425763	429676.47	246879.31	362043.78	678988.38	728456.44	300643.5	353313.59	332338.91	169372.36	286880.59	376115.41	721065.81	425326	352219.47	604360.44	196159.11	382642.12	282076.62	686857.31	2220143.25	613211.19	606015.88	432030.25	674980.31	457293.72	133595.14	388118.84	142160.94	422334.09	201302.25	696028	167617.05	147578	151853.92	683296.5	571054.94	1265564.88	191091.11	807899.25	493111.16	77012.91
Guanidinoacetate	283545.5	228267.75	398294.16	233589.62	293542.84	211196.38	148792.08	96807.12	111260.05	278233.56	220379.06	279694.97	152609.22	337822.91	162170.19	278458.91	228966.75	232143.08	344062.69	275368	198472.61	142900.61	268897.28	162970.83	248648.27	0	205598.61	193858.7	234748.7	345853.25	170016.02	191950.62	207683.73	295162.38	249682.25	293044.12	327907.09	160572.94	160637.48	335650.41	247958.62	304037.66	256232.5	138896.73	349103.34	362001.53	378156.5	210988.25	292995.19	183063.8	197962.23	277212	391681.09	294592.28	187108.25	196995.83	246848.23	392840.53	215658.14	201532.88	302305.88	173947.64	128512.35	467818	320428.97	294602.72	234809.75	321937.72	195003.94	214709.88	134277.17	194584.33	326496.09	282122.06	290849.75	193551.7	162674.92	372151.25	201203.11	129573.91	159287.94	242073.08	316743.5	269825.12	249215.38	220294.33	130129.34	319060.84	172924.38	278394.03	185908.88	261217.17	200257.7	254569.92
trans-4-Hydroxy-L-proline	487750.16	835401.81	728995.81	553545.5	873513.44	647464.94	658532.81	554054.31	523694.88	787845.44	685126.44	722963.69	614576.94	810873.19	686988.81	848577.81	922246.75	777752.5	722174.31	866077.31	642385.25	689277.94	1055937.75	633512.06	883084.56	389144.62	827520.81	693662.19	1036252	804243.25	650294.94	971718.19	883622.31	638253.19	830550	742921.31	731105.56	963135.19	1149533	796516.25	600395.94	653454.56	651535.12	572649.44	710090.81	689698.81	768312.69	622530.69	820936	809356.81	524840.19	858251.5	870621.94	750630.81	671847.56	648126.44	933503.94	881334.94	711697.44	829294.94	814584.56	675479.44	836327.5	1080296.88	1055476.5	1093311.62	924718	909950	611646	604332.31	730631.44	676445.44	1000056.31	740241.31	927429.69	594695.25	645374.75	827456.81	900238.44	646020	979716.69	947969.5	857496.5	668383.69	882384.81	1072213.62	829844.94	984245	737149.69	750733	935655.81	704760	854603	751326.19
5-6-Dihydrouracil	85685.9	72051.19	58508.28	77559.14	56355.28	54206	92140.29	22827.96	81987.46	54366.14	54311.02	92508.74	55811.14	46933.62	38537.41	25066.16	113505.9	67154.8	59976.12	74377.99	62152.4	61965.92	45347.13	39379.1	87295.71	158491.88	60261.84	28810.18	83600.91	66194.9	68494.25	65496.35	77762.13	73118.93	116865.28	107736.48	48459.42	79390.09	64939.94	23315.62	45202.05	68624.47	109078.95	80986.47	23546.39	88254.16	59701.16	83683.94	80189.16	86199.71	78070.59	37811.16	158905.31	56012	103636.38	91848.66	66843.19	74123.56	37752.89	94295.95	54757.33	77502.61	90189.03	106851.12	81496.66	90588.74	113814.6	102228.47	76253.46	103338.56	75476.95	62121.81	118096.66	96786.12	82905.09	54314.85	35244.48	106584.98	73429.01	43986.68	104976.38	104401.81	98982.66	28574.92	107981.4	75941.71	53407.46	75481.29	84732.13	63650.59	111991.04	96960.1	94944.38	51093.31
Pantetheine	278312.28	105131.35	228289.44	83468.09	129265.87	64872.18	167592.66	145991.12	137542.55	115911.04	108972.25	155993.78	107116.98	22143.15	200885.75	195595.69	293665.84	106641.31	100065.51	192884.69	246138.8	72804.98	192323.06	38727.05	58160	0	62862.78	148711.39	210495.83	586134.81	52718.82	232968	476447.75	337067.78	279575.5	89170.48	452141	0	65104.89	338873.22	557783.5	0	852.05	30243.45	0	0	2426.22	0	5895.23	0	2701.61	0	10555.17	0	34425.07	0	12970.49	0	2607.39	0	2207.89	0	10045.23	3926.61	3388.86	4075.32	0	5147.33	0	14314.69	0	0	7102.34	0	0	4773.74	0	410226.34	134142.19	131902.44	65661.9	0	4814.22	0	92696.99	170497.92	208463.88	371762.34	126699.38	78499.54	166637.38	35738.92	214834.88	109864.31
Taurine	380630.28	234162.48	259199.42	455953.53	169466.72	291300.91	191798.25	318368.91	365408	239030.89	263248.5	201553	191524.95	249180	252650.64	231621.75	272411.28	259603.27	314011.41	322690.91	363145.22	290608.56	429426.38	208356.98	269104.34	16573.59	219427.23	199436.36	243047.8	260220.75	169200.48	246580.5	283713.91	331485.66	232174.36	397632.53	286944.78	233522.55	345495.97	248827.8	249227.8	596548.75	449887	501446	276965.91	205913.52	440086.59	547062.81	223950.17	454819.34	334371.16	651995.31	579423.25	420703.12	377188.34	343673.25	261773.48	681403.31	442496.12	450709.47	446601.47	390194.25	446742.5	261343.7	407490.59	303965.88	602131.19	481291.38	442844.53	213836.08	239665.89	443678.59	251976.11	708413.25	396613.09	421916.91	167984.05	444030.38	603400.31	783977.75	266124.47	630082	519695.66	180960.2	540176.5	571854.94	341420.41	197360	189108.06	410861.34	242756.5	380970.91	251741	360504.28
2S-5S-Methionine sulfoximine	70588.06	68689.48	44051.11	119975.16	14453.16	63651.73	89933.29	21164.95	22612.63	32063.33	44820.33	52397.25	41632.39	28616.24	104009.99	75534.77	79425.98	84547.84	40138.53	64137.48	51816.67	65268.06	70637.73	41864.98	37483.98	0	47452.32	32006.25	66618.51	54891.69	57548.69	133015.5	71289.76	47858.84	60655.39	17249.78	78897.03	41908.79	25191.42	59489.38	47844.34	61404.19	62091.32	103783.79	26185.19	116599.73	25286.81	86569.09	28939.15	42738.91	56555.04	124737.27	37827.21	70675.14	76964.93	47218.91	64334.59	109052.69	105272.88	56205.5	39684.05	88153.25	115584.34	24115.59	39705.79	16379.9	128259.29	99152.48	78975.53	126806.06	70142.41	68682.34	58265.27	86195.59	71948.82	19770.23	157517.67	124189.54	103543.34	99207.77	76826.92	114031.62	68110.99	93150.13	71338.37	56486.17	102276.16	80352.83	74057.74	59846.44	163183.42	69151.2	58516.69	40673.91
L-Methionine S-oxide	576751.94	767865.81	357739.62	544251.38	246650.58	300286.84	236819.64	505434.78	1475315.62	207791.45	543547.69	374949.5	585136.81	731415.19	729872.19	396314.38	622295.62	330466.56	800506.5	532195.75	829766.94	930486.31	860878.31	1124558.38	677657.25	999151.5	969209.5	1021602.5	1050350.62	437727.22	969271.81	1060222.75	590649.94	341659.66	1131409.88	1661079	357826.22	1160209.25	1233886.88	552157.44	494355.66	1057821.88	1333083.88	1460713	256090.33	499022.78	1433458.38	1157835.12	569370.56	297547.16	926690.25	1116629.62	745579.31	1472200.62	2207834.75	496474.09	1075883.75	1469589.38	629255.81	444680.75	1021142.06	899362.44	1545696.12	572113.19	902223.44	966685.81	691033.69	1171580.62	680216.31	1056044.12	266837.91	948677.31	544106.44	1494130.12	552642.94	299830.47	735574.19	371068.62	1286312.12	228263.62	1042070	1576775.5	1108619.38	760239	1269760.12	1441459.62	1525651.88	371295.66	307989.25	1258001.62	2503756.75	1037229.19	819046.69	800354.69
Kynurenine	301194.28	587332.69	590252.88	539564.56	471493.25	307100.5	481431	317866.16	390202.59	340480.62	332049.62	309644.88	289729.47	250142.2	572364.31	405302.09	659712.88	507303.25	358358.38	348233.34	403884.84	231351.55	613445.38	342986	427345.84	6320.57	281983.5	399429.34	664887.75	527036.38	371323.53	911885.5	681425.31	427991.5	372579.75	353380.09	483353.22	889108.31	327375.78	456625.16	649914.56	462906.12	704226.81	478061.5	489967.25	212446.39	317869.88	825386.19	292486.66	578210.5	505437.28	416572.41	313929.53	728112.06	574603.06	407277.09	595093.38	549443.56	617697.62	497916.38	428416.47	567584.81	830407.94	291260.66	508314.28	450157.03	525823.81	461818.47	531179.31	513684.84	731638.44	673289.44	412534.25	733769.81	412647.84	476151.34	484841.47	478775.5	457725.47	459391.53	517401.75	1012880.94	539492.44	721942.5	524786.69	456608.12	360416.5	475114.47	357666.75	439552.97	908878.06	450573.66	551080	335186.84
Anthranilate	1226972	1221423.5	1134898.88	1327920.88	1568046	947171.44	1234314.12	467825.03	484112.16	1373616.88	892285.19	1530450.38	285097.41	480402.5	1319690.25	1258254.75	1720304.88	1417683.38	741933.19	1466201.88	531281.38	968477.81	1164954.88	1136932.88	1746011	94446.32	1567076.38	526412.5	1608188	1438815.62	1151532.75	1453416.5	1853636.5	1071939.88	1324879.62	717346.81	1125472.12	2481813.5	1315286.88	1232164.12	1633311.38	1423168.62	617970.94	877469.69	1121922.62	922482.31	1096002	678508.75	835076.31	763170.75	1262242.38	1626888.62	923665.25	1362257.5	624333.06	1272936.38	2228191.25	2090134.12	1855779.38	1203826.38	1089001.38	467085.09	518070.03	1071368.25	1237778.12	1249531.38	3467677.25	1471012	454886.09	1369492.88	2408269	614597.38	1271223.88	945160.69	1687616.38	2052225	1982884.5	1686812.38	1083143.38	2144695.75	1231899.75	1303077	1456241.5	2381004.75	1367888.12	1091156.88	835904.75	1856530	1429863.12	899263.06	956425.5	872098.94	1862211.62	573959.69
Picolinic acid	71785.02	88963.46	40463.14	72034.38	50276.41	48823.76	63898.26	77932.66	76897.81	42784.89	64786.16	42466.74	91661.09	59956.79	84536.3	64547.33	73339.94	61951.98	61780.14	65427.74	58435.29	43148	70555.95	77370.02	68605.59	606058.75	53947	65157.47	70961.01	62941.07	63316.24	63069.48	64798.3	50834.16	70546.28	53300.48	54893.26	62270.67	69587.08	67239.12	59873.11	60643.57	71326.35	71591.45	53254.88	44261.21	63232.83	72014.77	71098.43	47902.58	34306.14	42778.67	91204.62	71741.53	69447.63	28389.58	67602.16	59238.45	29946.94	58020.56	51798.25	71275.69	53614.06	57639.71	51840.42	78545	61188.13	44416.83	64789.11	53928.44	39963.41	66616.66	75782.98	60079.2	48990.85	57077.11	59981.22	59570.02	92770.71	29101.4	88787.71	70695.16	113511.9	55191.16	115498.65	90179.76	101751.01	62078.24	55040.63	78002.35	66619.7	71780.2	65760.85	63763.2
g-Oxalo-crotonate	1119513.38	912635.25	1436188.38	1844427.38	547526.31	1289521.88	1286688.88	424214.84	1610963.38	1243554	959666.19	688409.94	337349.78	734285.75	799381.06	1069932.38	852509.19	816152.19	870949.69	1055035.62	1070382.62	756281.06	1379304.62	631655.5	647455	732956	893610.94	510678.25	538420	1110962.88	878781.75	768161.94	601051	1095792.5	479443.34	1774119	1084032.38	574131.06	1509092	531165.44	1252704.38	2590231.5	1909709.62	1621739.38	1020825.94	553146.75	1811748.62	2296075.75	1226065.25	1140471.12	820425	2668422.25	1726696.38	2524762.75	1259550.12	1248109.38	1075725.62	2833371.75	622648.75	1524403.38	1840474.5	1131345.88	2837008.75	1056657.12	1466508.88	890950.75	1345250.75	1543298.12	1207351.12	397382.53	484286.03	773596.81	1240944.62	3143087.25	1190924	1130138.5	547847.44	1909202.38	2041396.88	1822274.62	672768.06	2059724.5	1755662.62	646694.06	1307777	1967655.5	1080038.88	721602.06	714460.31	591226.56	605035.56	1212517.38	811234.81	1496471.12
L-Adrenaline	951803.19	913959.25	1885132.12	1220426	2793474.75	1253559	3425581.25	635422.81	1713197.5	1454366.88	520199.53	1263469.62	880310.19	359958.34	765109.81	1399807.88	940653.75	1617069.12	851794.31	696478.94	1017477.19	591531.69	886436	980499.69	813960.19	111123.09	1174996.62	982283.06	1143603	1130340	854789.69	1126357.12	1650879.88	864573.81	1105988.12	833282.81	952905	996218.56	1026195.75	967218.5	958868.19	489546.25	752677	1013608.69	1129208.12	870391.31	1061758.88	1694927.12	860787.31	848663.75	657129.88	628563.19	795415.31	827182.5	781902.5	666498.44	1778467	1269845	1407350	680654.44	933987	784809.5	777506.5	906614.19	786320.44	662844.5	725787.81	712137.75	726761.19	992330.69	928712.56	629997.88	1657356.38	520732.78	1286016.38	510729.91	1139370.75	1137857.75	467423.75	476683.47	963346.19	939757.25	1129787.5	1157796.25	804807.5	361180.78	322470.12	1066723.38	1047765.69	494322.41	673096.06	551477.81	1007674.06	793505
Serotonin	1975978	15925867	4455358.5	18144236	27945688	2087136.38	25364058	30895.67	25082.89	25342062	23208.66	28352866	14695.44	14111.57	4065642	4263251.5	8516639	19137832	19739.61	5860432	15157.8	22158.46	19618.85	22943.06	6160784.5	8768.33	29793.61	19821.25	22652.08	27871486	14040.98	37560.4	6753504.5	25974590	6564436.5	23937.72	33781220	29588.25	28791.85	31651528	44809408	34760.18	22696.08	15911.38	5697960	5540224	22504.45	27548.96	5233079.5	12873623	24931.35	37085.37	8548704	15951.76	12599.74	21101626	20197.95	43050.22	16223.48	15503891	32478.83	31857.49	21493.46	10978423	40694.84	31464.95	28405.51	25300.74	42152.03	18419.77	19358376	26922.7	4507112	477059.09	1799010	24385080	25815.99	43487048	187243.3	21118296	364951.12	171329.44	758082.75	22133.65	852794.25	145716.23	312684.66	7354090.5	25445146	19559.79	62473.97	26862.62	6609348.5	26207.31
Ectoine	76357.16	27090.55	19299.59	18787.7	51512.42	13500.98	65464.64	22644.18	57208.59	48296.45	23300.44	72013.2	35190.22	40687.82	38115.77	67619.09	18512.64	20587.39	55416.11	59098.39	38068.95	32727.06	58258.95	39976.15	58816.32	97545.88	18884.49	43853.33	40281.52	28547.92	28457.31	63982.23	52863.3	36810.88	56177.73	61496.83	82551.75	118923.23	92464.66	32895.89	38755.66	33778.43	89584.66	25159.87	26043.89	88426.09	57770.17	80893.5	50665.03	81754.18	68130.45	46173.08	62980.77	74928.17	86001.84	74302.77	86368.43	34363.1	49001.14	60041.76	59369.86	35472.87	54820.14	74364.32	119663.37	40407.79	132058.02	277925.41	29468.58	64994.56	79030.48	183799.12	91762.98	69064.67	65996.88	47848.68	17248.07	34329.3	68975.45	352046.16	47308.78	76218.05	34500.79	67027.62	102304.25	62681.39	46259.3	99107.45	42644.31	61870.33	83091.77	82755.37	77256.6	44903.49
CDP-choline	22802586	23221790	21965062	21824682	27432960	25872074	26749264	23717138	18709414	20318344	21986622	23561702	17091638	23936770	18643330	20810310	19888364	23680878	20738150	20899646	21009692	19678704	20670542	24184248	22862602	21727246	21586638	19276216	23714438	21196006	27210350	23405322	27825270	21822766	16981458	22484826	21233700	23214560	25004906	20824234	20826032	21271338	22784938	25243830	22183388	25853506	26394288	24066278	23121106	21857522	25897792	29446160	20264414	22344364	23426358	22740198	21393760	26378730	31210414	18621426	20513746	32770122	22102098	20900080	28119320	22923106	25288944	21217462	27145006	20472462	21513576	20998478	20846656	23208186	23084118	17588720	18598096	19516112	19605168	21369072	20502284	21349180	27262224	27144432	20824222	21717424	20367170	18317576	20542650	21776584	22490608	24239416	23330128	28113986
Choline	42700952	39986668	49859072	36944256	23230030	24324662	36571028	29186022	24363016	24848594	34951468	42207076	19518010	25567230	36860988	32726080	37560320	36040364	34654084	27020754	17769666	32740730	27691776	30257850	51693140	11721896	20838514	16958570	28521688	25203194	18061340	40206752	43038372	24775954	36417388	31875416	23860234	22984744	35900140	23906736	25800080	25595866	30982920	31475678	25417050	17174010	22534042	36695616	26104408	34371748	26933856	36930988	45074320	35881388	27574538	33254454	25436950	34880468	22786616	35645940	27290534	21868382	31894490	33516358	29506160	65573228	30007306	36708964	23635666	35020308	24763650	23241272	31845510	41229276	39764196	36756252	26559830	29364442	34174220	36037092	31556762	42383372	37104412	26272274	41958740	32600558	31001414	35138212	38594068	40628996	41060912	53321076	32540048	21032880
Acetylcholine	4186791.75	4773487.5	3521767	5260379.5	4626649.5	2694876.75	2424738	1865944.5	2628617.5	3650912	2420659.75	3285271.25	2160552.75	1129100.38	4494013.5	3664698	4529159.5	3597916.75	2321951	3163036.75	3178193	3240468.75	3661968	3535009.75	4356033.5	193082.58	2975006	3087318	4269312	3137646.75	2710971	4182410.75	3700319.25	2338071.75	4327286	2309058.25	2357005.25	4069815.25	2716731	3200370.25	2794100	3241072.75	3483049.25	2809520.75	3430588	2727518.75	3383997.25	2947601.25	3195793	2514256.25	3377859.25	3402155.25	2768018	4769435.5	3963465.25	2232874.75	3428239.75	2883382	2872213.25	2408267.25	3196605.75	2721372	3810111	3890230.25	3424914	2887118.75	2377408.25	4486243.5	2839417.75	3294182.75	2838686	3887820	3074263.75	6081648	2834794.25	1524363	4345810	3488177	3261268	2200611.75	3677635	5795308	3925316.75	5197561	4756735.5	3298252.75	1964555.88	3362228	2221438.5	2481468.75	2511347.25	1869659	3884066	2850836
L-Carnitine	179271376	186265008	187766016	180050224	123333408	174607600	129252264	128459456	166232432	151334128	118906936	162249728	132971112	113744576	148507040	157537328	200872240	147846688	150636800	145789488	172038608	127861880	184502288	164210240	153320128	20334958	155439952	197044304	215738384	171666656	134490032	195252720	167855792	132947352	168391408	171038928	154181696	154354704	162228480	164647728	150405568	157562128	151051344	157594448	189008576	168688080	191674096	172756992	179710672	172665392	131585664	133340504	154128112	130359648	150742560	182519232	173943696	143957472	193813936	138195728	159960848	137195792	163412944	202263344	133410880	127861440	159166592	163487696	167525424	178191792	186210944	175090512	198643712	154242832	160641440	144591728	145590544	177025792	97959200	144030496	144933312	193494480	148906432	141031888	168670752	87769592	90322120	183001552	157698704	130056488	185822608	132342680	165448032	164956816
AC(2:0)	281760608	230455760	192253504	267310416	233255696	201715968	141828848	242557360	209138432	166760496	169062064	164334672	186362736	137768000	171571760	179006592	103270616	117499240	193352752	90763168	167090288	230622288	187954480	225567600	141304320	18159586	146623024	161495824	89246816	117810328	153174848	175654976	110298632	121572160	186812112	152752800	96740736	101594568	142256064	136993136	91997864	66014752	161227328	210107600	162135600	113091880	81667456	103570200	204605712	133089920	191828528	115539368	253423120	77761984	179338192	141621200	96516000	63482596	102083224	142622096	128977864	130920360	176716880	143292640	65111924	147190224	123756472	78583168	117434136	207571200	107830824	114138240	167277760	79314176	102003208	130118976	100398040	129674264	102178280	258625280	147093280	81223256	104665816	108304296	196412752	100799232	203659792	185707520	115078632	212199040	65382912	119803496	102811840	135728720
AC(3:0)	3196929.25	3716378	6705238.5	6197062.5	3986834	4199817.5	5382160.5	2649261.75	6174331.5	4177201	4829108.5	6955903.5	2643700.75	3452770.25	4838491.5	4428471	5704062	6649112.5	4731396	4635867.5	4741305.5	3444477.75	11817596	3635541.25	4430210.5	704303	4580547.5	4862049.5	9017195	5689345.5	3907923.25	10229659	7090600	4980049.5	4798641.5	2906613.25	7596754.5	5122740.5	5128282	6632153.5	8220028.5	5065708.5	7596491.5	6110917.5	6465140	6215054.5	5454360.5	7121081.5	4366892.5	4119212.75	4704396.5	6452358.5	3918395	5126310.5	5271131.5	4101553.25	8038058.5	4445441.5	8585015	5222427.5	5028530	4544898.5	6338885.5	5568496	3572571.75	6699282.5	8470778	5346674.5	5722522.5	6607207.5	6020884	6042302.5	6040864	9999736	6831012	4732559.5	10695927	7490038.5	4612774.5	4815325	7742762.5	6345216	7001334.5	11623077	5608308	4145272	5892042.5	5857509.5	4942623.5	4102387.25	7005384	6519203.5	6654846	4456178.5
AC(4:0)	1216717.25	1647163.88	1525785	2041210.38	1036915.44	1064670.62	1394393.5	2897559.25	1377038.5	1182211	3951939.25	1694615.12	1169458.12	3055139.75	1142596.38	948192.25	1602657	1449991.5	4317266.5	1279937	1677058.38	3649747.75	6260135.5	4875982.5	1480485.5	545193.69	4373334.5	1485578	8847618	1674720.62	3746121.75	12305336	1720965	1301835.62	1276778.12	3154462.25	1693005.62	5709242	3667218.75	1695916.62	2107914.25	1531302	2402449.25	1840234.12	1698000.38	1415426	1324376.12	2266203	961919	1213052.38	1641401.62	1855083.62	853410.25	1659357.38	2433772.75	1312769.12	3016195.75	1563491.62	2356361	1542607.88	1201280.75	1491813.38	2742993	1128556	1268491.12	1753561.88	1913390.62	2048479.62	1621765.62	2201216	1759877.12	3005484.75	1477671.62	2023306.88	1830594	1207373.25	2026358	2348459.25	1448216.5	1917971.62	2387696.25	1892930.62	1688751.62	2487346.75	2008343.62	1452312.12	2497332	1645659.88	1230654.62	3002000.25	2655572.25	3439723	1665353.38	1587713.88
AC(4-OH)	1777112.62	2169244	1413416.5	1809291.12	1175451.12	1182690.88	680847.94	1821028	1277301.88	288052.84	2095067.38	1646196.88	725008.81	1863171	6761960.5	1141317.62	4507222	1508484.62	2945897	2326473	2942269.25	302555.09	5866325.5	222748.77	3078214.25	309821.19	227020.14	1829429.38	3876129.75	112480.13	367555.5	3610052.75	3214752.75	84726.26	3789508	182821.38	12124.96	1676743.88	1066972.62	335342.03	25580.7	519582.34	1106105.75	0	950663.94	809800.69	556261.5	1599631.62	613579.69	2686243.25	0	0	526661.94	451494	392474.12	1121595.5	1417813.38	492269.5	2607.31	1276254.62	948392.69	508231.22	1544805	873792.31	577987.25	0	108744.2	1072985.62	526619.19	13482.96	664896.38	482608.62	423698.66	156164.64	406902.72	2576955	764085.69	30078.93	61414.32	1012368.5	132628.39	200087.06	802091.81	753198.81	122144.59	78049.35	17903.44	1173481.88	609945.88	5042105.5	1672930.62	3772128	3744943.75	1639875.12
AC(4-DC)	51833.36	144159.3	135209.92	129580.04	100797.59	101509.81	176618.95	54603.64	143360.69	181465.48	143391.8	119647.53	66602.98	122596.69	115780.02	164692.8	207412.58	377517.97	192185.73	178137.48	86083.59	63403.99	242397.83	95863.45	250673.5	2256330.75	28433.66	101839.56	137868.83	170014.95	66574.91	148225.38	262518.59	122680.77	151571.77	106300.88	169976.05	221249.14	118580.51	202928.25	234064.17	98966.31	236811.25	188830.11	107455.45	93035.85	184905.3	191479.7	130152.44	187665.42	189092.75	171754.73	100745.24	401415.28	276638.88	236214.62	248927.06	108357.04	231507.61	287319.31	202176.5	205666.33	284378.75	116490.49	150683.83	237969.08	266130.84	231060.44	212845.14	63846.76	274642.34	279540.22	89685.35	321476.59	187167.92	212598.58	231186.02	207961.88	194446.95	61026.34	146183.8	295096.75	166326.42	282894.59	135702.72	154073.05	145223.92	173270.39	133266.67	218764.06	152814.89	229540.44	270306.5	105426.84
AC(5:0)	5005067	11099684	7713377.5	13419011	5454145.5	3660072.75	5990691.5	3296544.75	4188033	4258572	6421975.5	3448668.25	4051474.75	3252931	10102647	4107575.25	10944877	5368120	3730959	7787615.5	2581978.75	5288040.5	4818919.5	3806053.75	11004811	741100.81	3455650.25	2342927.5	6482336	6371917.5	4839141.5	8249637.5	12894284	5181599.5	8591092	3951367	5130311.5	2671903.25	2388620.25	2806332.25	3937532	2806233.25	7296844.5	4328187	4072168.75	2437786.5	2892245.25	5271834	3107532.75	5431002.5	6060638	6979522.5	2841332.75	2989174	4755474.5	7231264	4296930	3425790	4136812.25	3600310	2310853.5	5357899.5	5631286	2066317	3047010	6559297.5	3982425.75	4092041.25	5770338.5	5200573	2805406	6428970	3419555.25	2579594.25	3919986	4001609.75	4833854.5	5746750.5	4935210.5	6441504.5	4563708.5	4893109	6023282.5	4605086.5	6924000.5	5537689	6977349.5	4087358.75	4281290.5	4643148.5	4666710	4947499.5	7002322.5	3020159.25
AC(5:1)	243830.05	237105.08	252694.67	279723.59	264096.19	178638.05	194569.31	131020.09	372016.38	147172.05	176704.36	111417.54	390107.09	95104.3	267870.12	188357.33	302159.09	182752.27	102039.07	224839.2	236123.67	228392.38	398731.28	270630.16	71149.55	183157.55	148397.52	142646.94	445110.66	121967.34	216000.73	421823.75	108589.87	108923	126665.35	49999.64	250155.8	144270.61	152077.31	133602.7	153596	214963.56	252149.86	152844.58	128969.62	79830.72	75944.43	145084.8	124637.55	101551.06	241117.08	202290.56	123653.88	217338.05	268036.44	88115.44	194958.06	84770.66	83478.01	194340.33	50286.88	184512.77	454891.59	40186.94	209052.62	197350.56	142583.45	173905.56	347606.41	235171.36	186816.64	232943.36	66378.59	173220.89	125544.51	100959.48	301315.5	124679.81	174770.58	366818	211260.8	246727.69	262311.41	299169.03	248195.61	171993.31	287255.19	230846.3	252971.45	173458.19	410999.28	82297.41	242649.94	265493.66
AC(5-OH)	100754.1	133026.2	221209.62	374965.78	307888.16	381813.62	333918.22	121901.19	198571.42	253135.95	190436.12	331433.34	164977.02	347399.59	373275.25	168914.86	368757.62	267690.66	367439.5	423476.88	275992.22	133028.14	331154.41	241638.14	489760.28	185855.05	313719.47	176094.11	216378.31	422924.5	206835.5	243957.44	495441.03	381740.16	320203.75	122114.69	331416.97	191318.19	209440.44	254603.45	390397.03	238988.42	217784.11	175924.94	218571.98	199104.25	279275.28	149032.89	152402.23	165729.88	270758.03	567647.44	171310.42	275363.34	212234.42	240641.5	272312.66	119130.34	168023.03	263131.88	481726	137479.34	277178.12	134120.95	148975.23	313517.28	227910.69	278753.81	157885.86	246000.58	231332.5	198391.42	211471.58	408967.38	205407.58	186919.94	297332.97	324141.12	362289.84	198377.56	313855.88	382853.88	354624.12	310063.84	284853.88	360515.25	359256.66	250631.02	514842.47	257320.39	370245.09	340198.69	448770.03	234479.8
AC(6:0)	4127510	6862602.5	1840086.88	18847732	647910.69	1630880.88	324044.03	1161357.12	1677714.12	258384.61	1707475	1721194.5	140831.98	158417.62	4663062	2576826.25	3109004	58267.81	873482.31	826505	79561.37	741169.5	82682.48	121911.98	2216054.25	0	36144.38	166034.73	61547.36	1431903.5	72078.26	203142.23	265213.38	504087.41	3902034.25	1328403.12	122038.73	13646.72	575736.69	2576254	148830.08	977021.5	2691557	1518875.12	2465365.75	379664.75	888748.31	1658071.88	1821965.62	1363293.12	1879561.38	1633230.62	2008500.38	761596.81	2910923.25	1015572.19	660749.69	865220.5	449712	700867.06	937162.19	4702835.5	1429359.62	2469321.5	865009.94	1379609.12	1422228	955242.69	2186833.5	2226746.25	802784.81	1321715.62	2302453	706143.06	863911.75	1238429.12	505405.97	6844652.5	970466.25	1321629.38	1389016.88	628987.5	2147691.75	526215.44	3491154	1105067.62	4194909.5	2086267.12	1453293.5	2847225.25	864961.25	2276393.25	439106.78	215726.88
AC(8:0)	22220990	69978496	19694380	124207040	33037370	15485875	32726422	12106107	9482747	41060644	16712797	20585514	12028844	10216035	58754404	25144242	37290112	18729666	19208436	11716255	12577312	11344500	14656207	19250910	58970404	151963.31	8199936.5	15719593	6592158	32588294	10000996	14507189	31580678	21062096	33749268	5132324.5	12424095	4512836.5	11385976	62973616	24164402	31887.8	325527.06	608612.75	183363.95	38872.39	55942.34	406833.62	101539.54	187145.3	106935.85	80001.04	749917.31	97289.85	563887.06	2144525.25	40870.21	21630.15	38875.86	660555.19	105427.87	265157.66	270273.12	174804.05	57043.93	84991.01	46641.79	68195.22	166963.69	109781.15	3141363.25	191598.95	264162.53	129567.6	59723.89	164112.7	14931.24	64181228	8211507.5	12585779	30860466	67121.09	351453.41	31203.2	35595892	8867495	35524924	12713088	22638346	10405482	3167189.25	10109799	17186490	5689124
AC(8:1)	580552.62	1238449	1086124.5	1802893.38	1188637.75	760585.94	1106316.12	624537	633105.75	774207	690652.88	651980.12	841234	716801.31	993686.31	682207.56	1040289.69	656725.12	745217.5	431038.5	1056399	708076	864916	537438	1116809	13280.24	597007.56	1198957.25	630206.44	786597.5	541263.5	1121363.88	1062105.12	1567600.5	664589.44	434793.38	1112805.75	750107.69	359457	1123060.62	570459.69	273923.53	579566.06	515563.59	248250.81	406153.66	477271.91	676741	525241.06	343896.09	198887.39	446933.09	1066453.38	330467.22	580395.12	432709.78	500700.09	349965.41	314939.78	226557.88	710962.69	800027.69	935443.81	709691.56	626553.19	254940.2	159018.7	472430.47	442321.09	469725.84	720102.25	495424.34	1150593.88	379642.28	826282.75	312056.47	129345.9	788781	887803.06	1007318.94	970071.81	179474.7	552417.31	174687.08	1124190	947865.69	1256271.12	1058450.88	876342.19	684999.56	655773.5	431675.91	857710	570061.25
AC(10:0)	35615268	69874408	32478138	143958288	40270092	23282190	46923388	15700285	16128016	46690416	21238056	32560736	17863108	10701693	68729512	33171182	48175300	28186178	23416360	15012091	20406690	12761280	20048338	26306920	77154440	81486.38	10331325	22080478	7937054.5	41215788	13391663	22413280	41854048	28172504	34385144	5902181.5	16454996	6089246.5	13320359	72357344	34111324	5589960	32724176	6813623.5	26403222	4723906.5	3535905.75	21513400	8742095	27219146	16122291	8934888	11234817	10085381	48322208	9595892	2330806	2732526.75	4007181.25	14840013	4733822.5	51680060	20032184	20365918	5361622	8901408	11237532	5082371	30399902	7616257.5	36945924	22677608	16483891	7992053.5	6547362.5	23829698	3516895.75	71325960	12437133	18474034	45744816	5553673.5	33996984	4495117	45384348	15394497	53809076	23109798	28747088	12045839	4450072.5	11299288	20681312	9172740
AC(10:1)	8824668	33483872	11353487	69827552	17736034	6606489.5	16768276	13572291	6021227.5	19417816	15702492	12004223	8531601	9995168	26928640	9455787	14105008	10091910	12103539	7145554	7744994.5	8044441.5	7631511.5	12850596	24388410	143672.34	7040908	9165465	3384239.75	17446712	8803340	9433555	14813027	12870440	15263736	3656890	7829850.5	3675663.25	6669655.5	35242596	18260452	2466219.5	12271012	3288001.25	5294990	2937131	1918260	10060987	5870837.5	10225127	7755124	3546024.25	7470142.5	4925868	17595314	4972326	1471260.12	1430482	2611754.25	5714167.5	3310221.25	20386942	10873873	9323734	4565427.5	3619846	4935641.5	3827686	10524912	8502304	15617281	9407651	8396361	4240697	3897300	9760883	1683995.62	37049548	5732010.5	7408556	12899392	3098180.25	8274926	2153454.75	14847657	6212435.5	19858788	7605524	11182597	10198964	2657257.75	8825432	8740330	4165483.75
AC(12:0)	9551076	12132696	10348280	17239208	6948671.5	6105623.5	6633209.5	3044733.75	6250296	6462331.5	3278004	8703832	7389830	2099487.25	7250830.5	8931828	6144415.5	4500484	4979504.5	2474310.25	8338338.5	2792186.75	4773340	5536623.5	11709824	10068.12	3272522.75	6853418.5	1854533.62	7839219.5	3070243.75	6072766.5	5107823.5	4562139.5	5582731.5	1895040.88	3159301.75	1831960.38	2525030.25	8115770	5497891.5	1947470.12	7030570	2687820	7952878	1260978.38	1077443.62	6263161.5	2956986.75	6334989.5	5885705.5	2990008	2632219.75	4803615.5	9177091	4661033.5	1191930.38	1242995.38	1436659.12	4646229	1774885	10585037	6293506.5	2921152.25	1806894.88	2881403.75	2664849	1214681.5	6167498.5	2469264.25	9216591	4890626.5	2759478.25	4168763	2126676.25	6345930.5	2045756.62	10156522	3069532.25	7226248	10152217	3252953.25	8176501.5	2279877.75	11731029	3455820	12303936	7951535.5	6924970	3415160.25	2113879	2329725.25	3708991.75	3418298.75
AC(12:1)	6483723.5	10695574	9200087	19230942	8979036	5845182	7702059.5	3254090	5836013.5	4448844.5	3676438.75	7564556	8559751	2562532	8177853.5	5796164.5	3396286.25	3337172.75	3862788	2870994.75	8926740	4270744.5	4059112.75	5298824	7671724	0	3592727.75	6665382	1418509.62	4518519.5	4128802	6515620	3212918.25	4427370	5235941.5	2055057	2259144.75	1274371.12	3051009	6089214	3500978	1556702.62	8027489.5	2300172.25	4770210	1247482.75	1091576.12	5356511	5303555	5352608.5	6678438	2278875.25	3267939	2294274	9674675	4898701.5	729971.81	693334	1114826.38	4713819	2566729.25	13308824	7041781.5	3483405	2254739	2917229.75	2191719	1586057.38	7372056	2355324	8390979	4798290	2444649.75	2377596.75	1115655.5	6139553.5	1605661	6872906.5	3088984	6924069.5	6291144.5	1684312.5	3467315.25	1652125.38	6292764	3271143.75	9284186	4924726.5	6528613.5	3586924.25	1943321	2211218	2838874.25	4474920.5
AC(14:0)	3138068.75	2603122.25	3222331.25	4060130.75	2541003.25	1849020.88	1274774.25	930216.69	1851851.38	1346097.5	932909.56	1863070	2684081.75	912566	2009407.38	2143009.25	1379980.62	1219879.5	1623747.38	1024997.56	2593241.25	1231629.62	1289737.88	1384875	2563410.75	6610.44	1279294.88	1761539.5	731032.94	2600681	1142634.12	1899802.5	1524372.88	1455647	1722578	1062295.12	1248859.88	776928.75	1201934.12	2041083.88	1270868.62	1104604.5	1939183	1578736.88	2162195.5	735808.31	836667	1943169.62	1349515.88	2254973.75	2257058.25	1256229.12	1145665.12	1782697.62	1803428.12	2552643.25	475494.62	894985.31	832108.31	1962986.5	813204.69	2136747.75	2041401	1292566.12	760037.5	1167213.38	1137268.38	546177.06	1353196.75	1329707.88	2225237.75	1469641.38	1099681.38	1593025.88	697801.69	2329123.75	721976.06	3102155.25	884004.81	2766740.25	2242862.25	1672539.62	2399115.25	588882.31	3079389.75	1129494.38	2539501.75	2077176	1792343	1431694.88	1263176.62	961181.19	1146392.88	1916979
AC(14:1)	20600006	21448700	18646318	33293306	15762576	9047824	12255453	6005810.5	9965481	9789073	7518557.5	13505131	15791731	5109129.5	14554871	12466473	6038392.5	6683838	7417344	4572392.5	16185004	7076578	9127958	9382782	15089717	6967.93	6229880	10833732	3683437.25	9705757	7070342	12587997	5579045.5	7672954.5	10903435	4385464.5	4657074.5	3543726	5038176	10758027	6539564	2356866.75	12305936	6217430.5	12746305	2461914.75	2066327	8963123	11256648	11112745	14928332	4897098.5	8044504.5	5700098.5	15100733	10273669	1713403.38	1121214.5	2315849.75	10178331	4784238.5	16332909	11178498	6615706.5	4175834	5229735.5	4381842	2754681.75	10337079	6290170.5	13161509	7216755.5	5873556	5265114	2378888.25	13077672	2803858.25	12222527	5874293.5	19128368	14541815	4517020.5	8063825.5	3083677.75	17471394	6510820	21820208	9450540	13264151	7873610.5	3640172	4676267	5113328.5	8030887.5
AC(16:0)	4345312	3556022.75	6754794.5	4640495	2359746	2824577.75	2590402.5	2277388.25	3424992.75	2984904.75	2322440.75	4082122.75	4103910.75	2285736.75	3015850	4175766	3485580.75	2035192.62	3059669	2199323.75	3483672	2539922.25	3407532	3052970.75	3524659.75	5710	2796177	3013746.75	1611312.38	4302225	2458217.25	3514531.75	2244510.25	3399057.25	3403066.75	3522632	3123396.25	2310389.25	2920912.75	3351776.25	3373194	2853304	3597889	3246211	3884714.75	2295079.25	1947563.88	2920958.75	2591689	4142767	3196790.75	3152314	3929790	3974606.75	3198056	4017406	1308878.12	1987762.38	2233337.25	4008908.75	2379508.75	2410670	4536768.5	3131593.75	1933036.5	4170084.75	2517966.75	2317477.25	2147478.75	2804618	3539224	2881842.25	3050317.25	3767040.75	2129245.75	3824629	2400346.25	4566393.5	2220125	4592487	2748668.75	4506884.5	3414377.25	2500040.25	3542583	2604367.25	3065439	4207569	2000861.62	3096409.75	2885096	2542911.75	2752207.75	2448397.75
AC(16:1)	5390613.5	4125058.75	4706147	5338060.5	2552711.75	1831219.5	1927657.62	1582236	2872039.75	1489889.62	1344606	3100620.75	3583015	1426579.88	2652497.25	3145970.75	1255725.62	803378.06	1768499.5	1125034.88	2613420	1838655.88	1624465.12	1730783	2222779.5	6595.29	1345516.62	2491103.75	533845.25	2909715.75	1381456.38	2445857.25	888347.5	1581573	2761019.5	2268548.5	1162782.62	792150.94	1642067.38	2586852.5	1391033.12	1015475.75	3399023	1543209.62	3293993.25	933625.56	1095139.38	2393115.5	3042725.75	2123324.75	2235698.25	1175633.62	2909941.75	1216958.62	3499502.75	3455491.25	618688.81	846735.81	514619.78	2908943.75	1648657.5	2665786	3613554.75	2392575.5	1472807	1730767.12	1035138.19	1114310.62	1936537.88	1334826.62	2377492.25	1444017.5	1846630.62	1208658.88	738125.31	2724086.25	603377.31	3223672	1918066	3553397.75	3308792	1332712.12	2082248	595499.31	3848476	2116729	4187177.75	2369507.5	2124314.25	2592194.75	1578106	1404123.62	1326070.62	1840854.62
AC(18:0)	398018.12	236128.45	674586.06	429312.16	191842.94	233906.58	178120.36	229076.38	332251.59	245080.88	262172.78	359665.72	380702.59	239146.89	269033.22	540713.06	241536.92	197553.75	311242.22	202014.14	290624	384448	342272.03	318807	244022.81	0	313703.25	294419.97	179852.44	429050.78	281545.59	326890	195685.27	325001.03	188649.12	366251.25	378285.72	190471.19	280643.72	226611.56	408995.66	283017.59	242979.89	342310.72	502201.16	312042.66	226295.92	321990.72	263985.47	482764.03	220294.83	468774.78	473775.25	443129.75	211064.73	375688.78	127298.45	240260.88	223491.08	378447.88	193052.33	168820.89	247835.77	301402.88	152187.77	324591.09	193155.83	251507.95	147504.67	281098.59	372972.09	214100.45	262998.62	479930.12	271817.94	356755.16	432732	392430.25	136480.83	423209.62	233123.73	405481.47	254376.86	310843.12	342746.28	175895	212076.89	415428.09	265087.16	370688.75	245197.58	316451.09	270548.03	228435.17
AC(18:1)	10026965	7678501.5	9460572	8739688	4499996.5	3144213.25	5338898	4190848.25	4756899.5	4198806	3944193.25	6416414	5932354.5	4050226	4741130	6485029.5	3143867.75	2387219.25	4164732	3482955.75	4353196	3963635	4833828.5	4609300.5	4864163	2980.12	3773322.25	4765120	1540507.62	5098227.5	3291173.75	4811365.5	1891518.62	3954031.25	5699038.5	5952644	3213008.75	2244860	4556306	4330607.5	3318051.25	2784447.75	6390664.5	4406194.5	5816040.5	3413741	3228204.75	4370835.5	5797461.5	5544053	4350112.5	4775810.5	8455971	3991410	6315730	7406186.5	1748280.88	2405625	2362570.75	6140234.5	4525932	3625148	6890329.5	5812390	2900203	5394402	3927863.75	3483834	3408335.25	4354420.5	4408729	3210201.75	4766753	4056679.25	3103780.25	5524414.5	2635018.75	5667048	3838828	7644112.5	3641445.25	4354184	3344482	2776357.5	5177416	4931865.5	5746880	5702764.5	3900063.75	5885928	3343942	4486653.5	3471843	4238654.5
AC(18:2)	3188565	4023417	4847810.5	5116276.5	3678469.25	1890843	4217888.5	4094329.25	2645353	2936923.75	3792274.25	3429740.75	3503892.25	3800906.75	2326218.25	2922658.75	1780218	2262517.75	4052266	1794550.38	2630803	3579318.75	3448242.75	3430753	2258286.75	0	3686087	2619643.25	1679634.12	3714331.25	2812788	2204822.75	1696028.38	2944696	2227725.75	3530904	2437724	1982870.38	3176438.75	3413219	2642823.5	1745212.5	3047678	1746900.5	2960234	2826933.75	2357040.75	2151692	4096787.25	3493104.75	2428638.25	2417400.5	4685798.5	2924956	2971220	3578620.25	1211592.5	2158164.75	1628614.88	3647722	3083869	3349914	3790321.25	3601046.75	3052359	2404542	2314475.75	3128190.75	2544729.25	3650898.75	2914555.25	2136884	2825833	3112983.25	3064719	3572807.75	1898528	4162072.75	2077091.38	3575636.25	2223873.75	2757363.75	2103171.25	2078682.38	2927443.75	2379273.25	2867587.75	3021384	1943420.12	4288304.5	2443102.25	3222334.25	1977860	2738684.25
AC(20:4)	268148.28	170839.42	444859.59	197161.36	662289.31	516423.53	309967.34	140363.64	191629.73	137181.77	132586.14	269101.47	167854.86	117091.85	130614.28	218006.95	64661.38	306718.66	221128.61	108757.35	193866.83	196151.8	291977.34	220243.67	125742.12	0	216641.42	175060.45	250694.95	204381.67	501020.72	166279.78	278690.84	125692.88	123762.27	235179.5	143142.8	171191.17	242452.5	154186.31	141855.27	133591.48	364438.72	101331.44	307290.78	103165.29	144657.55	211706.38	107612.98	384963.84	296502.09	254417.92	168077.98	260782.73	347186.78	261091.92	62247.97	200401.39	372736.91	329975.78	165651.84	931958.56	333819.91	112195.91	176831.36	216156.12	337731.34	171849.45	677352.38	166849.89	249601.3	203156.77	130202.35	348168.84	105986.32	318590.91	150359.98	193199.92	102622.12	397507.62	81929.27	359892.28	113272.44	184021.95	127990.41	87387.32	122878.99	261178.58	83575.54	214102.11	153825.52	234449.38	118193.43	318597.91
Sphingosine	0	0	5271.77	12555.49	0	8463.94	0	0	5531.97	0	0	0	0	0	0	0	0	0	0	7922.87	0	5775.32	0	0	0	294859.03	0	7356.7	0	0	7620.45	0	0	0	0	0	10240.4	0	0	0	0	8694.55	0	0	6601.35	0	0	6474.83	0	7614.33	0	5020.55	0	0	0	0	0	0	0	0	5353.59	5673.91	0	0	13688.16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4813.15	0	0	4969.47	0	0	0	0	0	0	0	0
Biliverdin	1347234.75	6734972	3965509.75	7007522.5	6503283.5	2569972	5510589.5	1122387.88	1647094.62	2571636.75	1245854	963274.56	2346843.75	2621970.25	1512993.62	1396374.38	497396.12	1239610.38	862722.19	1766107.88	639165.5	1079851.88	559710.31	1057278.62	1126866.12	9085.92	1854797	676070.94	216717.48	1012345.81	1163212.5	823031.31	241120.75	976080.5	1468561.38	1164983.38	617292.19	268744.03	1004942	762306.31	462704.75	460715.25	838807.69	1673759.38	1017512.44	1087068.88	517877.12	308270.12	1552512.5	459291.25	1524746.88	528365.69	1535656.38	4633636	549159.19	1490198.88	337587.59	269499.09	394508.41	867197.25	1068702.12	1103934.62	579282.88	1679377.88	405884.91	927838	691566.81	363336.91	389860.34	956761.06	424289.34	252531.58	1095690	2316832.5	202483.33	235315.69	634441.75	543923.56	650814.06	385500.84	300417.34	1605748.38	263246.5	734743.81	306697.09	640534.31	661721.94	809905.81	512148.03	734521.25	251191.95	486190.66	382282.12	342115.94
Bilirubin	48060944	95583040	61235460	84167496	47707788	26984626	62246496	23992182	23372008	43468428	28198806	19251018	26320874	36314764	21192666	23753200	15519493	31349128	17573162	21097678	19805706	20913608	15149808	23390112	12106848	1581449	33434184	10619514	7851650.5	14017475	15541073	11073225	6773760	12675296	19976826	13543172	11799787	5439078.5	12364143	8791675	6966081.5	6605981.5	11943437	16046875	11450685	14295011	6112183.5	4408415	16802116	5086900.5	16023269	7309178	11439085	30093506	5123848.5	8437448	3130661	2267016.25	5268830	6270610.5	6707601.5	6766373.5	6669146.5	7855732	6982193.5	7244040.5	7741754.5	3383265	7894638.5	5852053.5	4949640	5412462.5	8211157.5	17036366	3602934.75	3078635.75	6694508	3480510.75	3571673.75	6959580.5	4172993.75	9889324	3255476.25	5083544	1841294.12	4064646.75	4293448	8022934	6337710	7565882.5	2632737	10126685	9037771	54180724
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	CmpdID	Pathway	m/z	RT	Polarity
L-alanine	C00041	Amino acids	90.055	0.684	[M+H]+
L-arginine	C00062	Amino acids	175.119	0.674	[M+H]+
L-asparagine	C00152	Amino acids	133.061	0.698	[M+H]+
L-glutamate	C00025	Amino acids	148.061	0.693	[M+H]+
L-glutamine	C00064	Amino acids	147.076	0.680	[M+H]+
L-leucine/isoluecine	C00123	Amino acids	132.102	0.712	[M+H]+
L-lysine	C00047	Amino acids	147.113	0.617	[M+H]+
L-methionine	C00073	Amino acids	150.058	0.709	[M+H]+
L-phenylalanine	C00079	Amino acids	166.086	1.265	[M+H]+
L-proline	C00148	Amino acids	116.071	0.700	[M+H]+
L-tryptophan	C00078	Amino acids	205.097	1.781	[M+H]+
L-tyrosine	C00082	Amino acids	182.081	0.711	[M+H]+
L-valine	C00183	Amino acids	118.086	0.706	[M+H]+
AMP	C00020	Nucleotides	348.070	0.714	[M+H]+
Adenosine	C00212	Nucleotides	268.104	0.710	[M+H]+
GMP	C00144	Nucleotides	364.064	0.705	[M+H]+
Guanosine	C00387	Nucleotides	284.099	0.707	[M+H]+
Guanine	C00242	Nucleotides	152.055	0.708	[M+H]+
Cytidine	C00475	Nucleotides	244.093	0.706	[M+H]+
IDP	C00104	Nucleotides	429.024	0.706	[M+H]+
IMP	C00130	Nucleotides	349.059	0.700	[M+H]+
Inosine	C00294	Nucleotides	269.088	0.707	[M+H]+
Hypoxanthine	C00262	Nucleotides	137.046	0.709	[M+H]+
Xanthine	C00385	Nucleotides	153.041	0.708	[M+H]+
Allantoate	C00499	Nucleotides	177.061	0.641	[M+H]+
5-6-Dihydrothymine	C00906	Nucleotides	129.066	0.696	[M+H]+
Pyridoxal	C00250	Nucleotides	168.065	0.690	[M+H]+
4-Pyridoxate	C00847	Nucleotides	184.059	0.706	[M+H]+
Nicotinamide	C00153	Nucleotides	123.055	0.929	[M+H]+
Maltotriose	C01835	Other sugars	505.180	2.190	[M+H]+
2-Oxoglutaramate	C00940	TCA cycle	146.045	0.763	[M+H]+
Glutathione	C00051	GSH homeostasis	308.088	0.745	[M+H]+
5-Oxoproline	C01879	GSH homeostasis	130.050	0.695	[M+H]+
gamma-Glutamyl-Se-methylselenocysteine	C05695	Gamma-glutamyls	313.035	0.640	[M+H]+
gamma-L-Glutamyl-D-alanine	C03738	Gamma-glutamyls	219.098	0.701	[M+H]+
gamma-Glutamyl-gamma-aminobutyrate	C15767	Gamma-glutamyls	233.114	0.708	[M+H]+
(5-L-Glutamyl)-L-glutamine	C05283	Gamma-glutamyls	276.119	0.691	[M+H]+
L-Homocysteine	C00155	Serine biosynthesis and one-carbon metabolism	136.043	0.708	[M+H]+
Dimethylglycine	C01026	Serine biosynthesis and one-carbon metabolism	104.071	0.700	[M+H]+
Ornithine	C01602	Urea cycle	133.097	0.617	[M+H]+
L-Citrulline	C00327	Urea cycle	176.103	0.683	[M+H]+
Spermidine	C00315	Polyamines	146.165	0.638	[M+H]+
Spermine	C00750	Polyamines	203.223	0.639	[M+H]+
alpha-D-Glucosamine 1-phosphate	C06156	Aminosugars	260.053	0.715	[M+H]+
5-Guanidino-2-oxopentanoate	C03771	Arginine and proline metabolism	174.087	0.705	[M+H]+
Creatine	C00300	Arginine and proline metabolism	132.077	0.693	[M+H]+
Creatinine	C00791	Arginine and proline metabolism	114.066	0.690	[M+H]+
4-Acetamidobutanoate	C02946	Arginine and proline metabolism	146.081	0.710	[M+H]+
N-Acetyl-L-ornithine	C00437	Arginine and proline metabolism	175.107	0.706	[M+H]+
Guanidinoacetate	C00581	Arginine and proline metabolism	118.061	0.685	[M+H]+
trans-4-Hydroxy-L-proline	C01157	Arginine and proline metabolism	132.066	0.714	[M+H]+
5-6-Dihydrouracil	C00429	Panthothenate metabolism	115.051	0.710	[M+H]+
Pantetheine	C00831	Panthothenate metabolism	279.134	1.874	[M+H]+
Taurine	C00245	Sulfur metabolism	126.022	0.711	[M+H]+
2S-5S-Methionine sulfoximine	C03829	Sulfur metabolism	181.061	1.829	[M+H]+
L-Methionine S-oxide	C02989	Sulfur metabolism	166.053	0.912	[M+H]+
Kynurenine	C00328	Indole and Tryptophan	209.092	0.882	[M+H]+
Anthranilate	C00108	Indole and Tryptophan	138.054	0.698	[M+H]+
Picolinic acid	C10164	Indole and Tryptophan	124.040	0.608	[M+H]+
g-Oxalo-crotonate	C03453	Indole and Tryptophan	159.028	0.713	[M+H]+
L-Adrenaline	C00788	Signaling	184.095	0.698	[M+H]+
Serotonin	C00780	Signaling	177.102	0.937	[M+H]+
Ectoine	C06231	Inositol	143.082	0.709	[M+H]+
CDP-choline	C00307	Glycerophospholipid biosynthesis	488.109	2.584	[M+H]+
Choline	C00114	Glycerophospholipid biosynthesis	104.107	0.682	[M+H]+
Acetylcholine	C01996	Glycerophospholipid biosynthesis	146.117	0.700	[M+H]+
L-Carnitine	C00318	Carnitine and fatty acid metabolsim	162.113	0.684	[M+H]+
AC(2:0)	C02571	Carnitine and fatty acid metabolsim	204.123	0.713	[M+H]+
AC(3:0)	C03017	Carnitine and fatty acid metabolsim	218.138	0.710	[M+H]+
AC(4:0)	C02862	Carnitine and fatty acid metabolsim	232.154	0.710	[M+H]+
AC(4-OH)	HMDB13127	Carnitine and fatty acid metabolsim	248.148	1.801	[M+H]+
AC(4-DC)	HMDB13133	Carnitine and fatty acid metabolsim	262.129	0.708	[M+H]+
AC(5:0)	C20826	Carnitine and fatty acid metabolsim	246.170	1.804	[M+H]+
AC(5:1)	HMDB02366	Carnitine and fatty acid metabolsim	244.155	1.792	[M+H]+
AC(5-OH)	ac107	Carnitine and fatty acid metabolsim	262.164	0.709	[M+H]+
AC(6:0)	HMDB00756	Carnitine and fatty acid metabolsim	260.186	1.832	[M+H]+
AC(8:0)	HMDB00791	Carnitine and fatty acid metabolsim	288.217	1.885	[M+H]+
AC(8:1)	ac111	Carnitine and fatty acid metabolsim	286.202	1.863	[M+H]+
AC(10:0)	HMDB00651	Carnitine and fatty acid metabolsim	316.249	1.947	[M+H]+
AC(10:1)	CID57357170	Carnitine and fatty acid metabolsim	314.233	1.918	[M+H]+
AC(12:0)	HMDB02250	Carnitine and fatty acid metabolsim	344.280	2.017	[M+H]+
AC(12:1)	HMDB13326	Carnitine and fatty acid metabolsim	342.265	1.985	[M+H]+
AC(14:0)	HMDB05066	Carnitine and fatty acid metabolsim	372.310	2.086	[M+H]+
AC(14:1)	HMDB13329	Carnitine and fatty acid metabolsim	370.296	2.047	[M+H]+
AC(16:0)	C02990	Carnitine and fatty acid metabolsim	400.341	2.190	[M+H]+
AC(16:1)	HMDB06317	Carnitine and fatty acid metabolsim	398.328	2.080	[M+H]+
AC(18:0)	HMDB00848	Carnitine and fatty acid metabolsim	428.374	2.414	[M+H]+
AC(18:1)	HMDB06351	Carnitine and fatty acid metabolsim	426.359	2.230	[M+H]+
AC(18:2)	HMDB01064	Carnitine and fatty acid metabolsim	424.342	2.140	[M+H]+
AC(20:4)	ac125	Carnitine and fatty acid metabolsim	448.342	2.149	[M+H]+
Sphingosine	C00319	Sphingolipid biosynthesis	300.290	1.991	[M+H]+
Biliverdin	C00500	Heme metabolism	583.256	2.050	[M+H]+
Bilirubin	C00486	Heme metabolism	585.272	1.929	[M+H]+
METABOLITES_END
#END