#METABOLOMICS WORKBENCH stringek_20161208_063724 DATATRACK_ID:795 STUDY_ID:ST000785 ANALYSIS_ID:AN001244 PROJECT_ID:PR000571
VERSION             	1
CREATED_ON             	July 6, 2017, 2:31 pm
#PROJECT
PR:PROJECT_TITLE                 	Pharmacometabolomics of L-Carnitine Treatment for Septic Shock
PR:PROJECT_TYPE                  	Quantitative NMR Metabolomics
PR:PROJECT_SUMMARY               	Rationale: Sepsis therapeutics have a poor history of success in clinical
PR:PROJECT_SUMMARY               	trials, due in part to the heterogeneity of enrolled patients.
PR:PROJECT_SUMMARY               	Pharmacometabolomics could differentiate drug response phenotypes and permit a
PR:PROJECT_SUMMARY               	precision medicine approach to sepsis. Objective: To utilize existing serum
PR:PROJECT_SUMMARY               	samples from the phase I clinical trial of L-carnitine treatment for severe
PR:PROJECT_SUMMARY               	sepsis to metabolically phenotype L-carnitine responders and non-responders.
PR:PROJECT_SUMMARY               	Methods: Serum samples collected prior to (T0) and after completion of the
PR:PROJECT_SUMMARY               	infusion (T24, T48) from patients randomized to either L-carnitine (12 g) or
PR:PROJECT_SUMMARY               	placebo for the treatment of vasopressor dependent septic shock were assayed by
PR:PROJECT_SUMMARY               	untargeted 1H-nuclear magnetic resonance metabolomics. The normalized,
PR:PROJECT_SUMMARY               	quantified metabolite data sets of L-carnitine and placebo treated patients at
PR:PROJECT_SUMMARY               	each time point were compared by ANOVA with post-hoc testing for multiple
PR:PROJECT_SUMMARY               	comparisons. Pathway analysis was performed to statistically rank metabolic
PR:PROJECT_SUMMARY               	networks. Measurements and main results: 38 metabolites were identified in all
PR:PROJECT_SUMMARY               	samples. Concentrations of 3-hydroxybutyrate, acetoacetate, 3-hydroxyisovalerate
PR:PROJECT_SUMMARY               	were different at T0 and over time in L-carnitine treated survivors versus
PR:PROJECT_SUMMARY               	non-survivors. Pathway analysis of pre-treatment metabolites revealed that
PR:PROJECT_SUMMARY               	synthesis and degradation of ketone bodies had the greatest impact in
PR:PROJECT_SUMMARY               	differentiating L-carnitine treatment response. Analysis of all patients based
PR:PROJECT_SUMMARY               	on pre-treatment 3-hydroxybutyrate concentration yielded distinct phenotypes.
PR:PROJECT_SUMMARY               	Using the T0 median 3-hydroxybutyrate level (153µM), patients were categorized
PR:PROJECT_SUMMARY               	as either high or low ketone. L-carnitine treated low ketone patients had
PR:PROJECT_SUMMARY               	greater utilization of carnitine as evidenced by lower post-treatment
PR:PROJECT_SUMMARY               	L-carnitine levels. The L-carnitine responders also had faster resolution of
PR:PROJECT_SUMMARY               	vasopressor requirement and a trend towards a greater improvement in mortality
PR:PROJECT_SUMMARY               	at 1 year (p = 0.038) compared with patients with higher 3-hydroxybutyrate.
PR:PROJECT_SUMMARY               	Conclusions: The results of this preliminary study, that were not readily
PR:PROJECT_SUMMARY               	apparent from the parent clinical trial, show a unique metabolite profile of
PR:PROJECT_SUMMARY               	L-carnitine responders and introduce pharmacometabolomics as a viable strategy
PR:PROJECT_SUMMARY               	for informing L-carnitine responsiveness. The approach taken in this study
PR:PROJECT_SUMMARY               	represents a concrete example for the application of precision medicine to
PR:PROJECT_SUMMARY               	sepsis therapeutics that warrants further study. This study was published: Ann
PR:PROJECT_SUMMARY               	Am Thorac Soc 2015;12:46-56.
PR:INSTITUTE                     	University of Michigan
PR:DEPARTMENT                    	Clinical Pharmacy; Center for Bioinformatics and Computational medicine (UMich);
PR:DEPARTMENT                    	Emergency Medicine (UMiss)
PR:LABORATORY                    	University of Michigan NMR Metabolomics Laboratory
PR:LAST_NAME                     	Kathleen
PR:FIRST_NAME                    	Stringer
PR:ADDRESS                       	College of Pharmacy, University of Michigan, 428 Church Street, Ann Arbor, MI
PR:ADDRESS                       	48109
PR:EMAIL                         	stringek@umich.edu
PR:PHONE                         	none
PR:FUNDING_SOURCE                	This study was supported by the University of Michigan’s College of Pharmacy
PR:FUNDING_SOURCE                	and its Biochemical Nuclear Magnetic Resonance Core and in part by the Michigan
PR:FUNDING_SOURCE                	Regional Comprehensive Metabolomics Research Core (AK and Chenomx software),
PR:FUNDING_SOURCE                	which is funded by the National Institute of Diabetes and Digestive and Kidney
PR:FUNDING_SOURCE                	Diseases (NIDDK; DK097153). The clinical trial was supported by a grant from the
PR:FUNDING_SOURCE                	American Heart Association (10POST3560001) and the Cannon Foundation
PR:FUNDING_SOURCE                	(SRG10-004). Dr. Jones’ effort was supported by a grant from the National
PR:FUNDING_SOURCE                	Institute of General Medicine (NIGMS; R01GM103799). The content is solely the
PR:FUNDING_SOURCE                	responsibility of the authors and does not necessarily represent the official
PR:FUNDING_SOURCE                	views of the NIDDK, NIGMS or the National Institutes of Health. NIDDK
PR:FUNDING_SOURCE                	(DK097153).
#STUDY
ST:STUDY_TITLE                   	Pharmacometabolomics of L-Carnitine Treatment Response Phenotypes in Patients
ST:STUDY_TITLE                   	with Septic Shock
ST:STUDY_TYPE                    	multiple timepoints; patients with severe sepsis or septic shock
ST:STUDY_SUMMARY                 	phase I study of L-carnitine infusion for the treatment of vasopressor-dependent
ST:STUDY_SUMMARY                 	shock
ST:INSTITUTE                     	University of Michigan
ST:DEPARTMENT                    	Clinical Pharmacy
ST:LABORATORY                    	The NMR Metabolomics Laboratory (Stringer)
ST:LAST_NAME                     	Stringer
ST:FIRST_NAME                    	Kathleen
ST:ADDRESS                       	University Michigan, 2900 Huron Parkway, Ann Arbor, MI 48105
ST:EMAIL                         	stringek@umich.edu
ST:PHONE                         	none
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	31
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	39-93 years
SU:WEIGHT_OR_WEIGHT_RANGE        	55-130 KG
SU:GENDER                        	males and females
SU:HUMAN_RACE                    	Caucasian (C) and African American (AA)
SU:HUMAN_INCLUSION_CRITERIA      	Suspicion of or confirmed infection; two or more systemic infmammatory response
SU:HUMAN_INCLUSION_CRITERIA      	syndrome criteria; hypotension requiring vasopressors despite volume
SU:HUMAN_INCLUSION_CRITERIA      	resuscitation; a cumulative vasopressor index of 3 or more after 4 hours of
SU:HUMAN_INCLUSION_CRITERIA      	administration; and a SOFA score of at least 5.
SU:HUMAN_EXCLUSION_CRITERIA      	Age less than 18; greater than 16h after septic shock recognition; a Do Not
SU:HUMAN_EXCLUSION_CRITERIA      	Resuscitate order; or known inborn error of metaboloism.
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	CMC2001	CMC2001-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2001	CMC2001-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2001	CMC2001-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2002	CMC2002-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2002	CMC2002-24	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2002	CMC2002-48	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2003	CMC2003-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2003	CMC2003-24	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2003	CMC2003-48	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2004	CMC2004-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2004	CMC2004-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2004	CMC2004-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2005	CMC2005-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2005	CMC2005-24	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2005	CMC2005-48	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2006	CMC2006-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2006	CMC2006-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2006	CMC2006-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2007	CMC2007-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2007	CMC2007-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2007	CMC2007-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2008	CMC2008-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2008	CMC2008-24	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2008	CMC2008-48	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2009	CMC2009-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2009	CMC2009-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2009	CMC2009-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2010	CMC2010-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2011	CMC2011-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2012	CMC2012-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2012	CMC2012-24	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2012	CMC2012-48	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2013	CMC2013-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2013	CMC2013-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2013	CMC2013-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2014	CMC2014-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2014	CMC2014-24	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2014	CMC2014-48	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2015	CMC2015-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2015	CMC2015-24	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2015	CMC2015-48	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2016	CMC2016-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2016	CMC2016-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2016	CMC2016-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2017	CMC2017-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2017	CMC2017-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2017	CMC2017-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2018	CMC2018-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2019	CMC2019-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2019	CMC2019-24	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2019	CMC2019-48	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2020	CMC2020-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2020	CMC2020-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2020	CMC2020-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2021	CMC2021-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2021	CMC2021-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2022	CMC2022-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2023	CMC2023-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2023	CMC2023-24	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2023	CMC2023-48	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2024	CMC2024-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2024	CMC2024-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2024	CMC2024-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2025	CMC2025-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2025	CMC2025-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2025	CMC2025-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2026	CMC2026-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2026	CMC2026-24	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2026	CMC2026-48	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2027	CMC2027-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2027	CMC2027-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2027	CMC2027-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2028	CMC2028-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2028	CMC2028-24	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2029	CMC2029-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2029	CMC2029-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2029	CMC2029-48	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2030	CMC2030-0	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2030	CMC2030-24	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2030	CMC2030-48	Treatment:Placebo	
SUBJECT_SAMPLE_FACTORS           	CMC2031	CMC2031-0	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2031	CMC2031-24	Treatment:Carnitine	
SUBJECT_SAMPLE_FACTORS           	CMC2031	CMC2031-48	Treatment:Carnitine	
#COLLECTION
CO:COLLECTION_SUMMARY            	Serum collected via existing intravenous or arterial catheter
CO:COLLECTION_PROTOCOL_COMMENTS  	T0: collected before carnitine or placebo administration, T24: collected 24h
CO:COLLECTION_PROTOCOL_COMMENTS  	after administration of L-carnitine or placebo (±4h), T48: collected 48h after
CO:COLLECTION_PROTOCOL_COMMENTS  	administration of L-carnitine or placebo (±4h)
CO:SAMPLE_TYPE                   	Blood serum
CO:COLLECTION_METHOD             	via existing intravenous or arterial catheter
CO:COLLECTION_FREQUENCY          	1/timepoint, 3 collections/48h
CO:COLLECTION_TIME               	T0: before administration, T24: 24h after administration (±4h), T48: 48h after
CO:COLLECTION_TIME               	administration (±4h)
CO:VOLUMEORAMOUNT_COLLECTED      	10mL
CO:STORAGE_CONDITIONS            	Initial RT then -80°C following processing (within 2h of collection)
CO:COLLECTION_VIALS              	SST: Becton-Dickinson 10mL vacutainer Serum Separator tubes
CO:STORAGE_VIALS                 	Sterile 1mL cryovials
CO:COLLECTION_TUBE_TEMP          	RT
CO:ADDITIVES                     	None
CO:BLOOD_SERUM_OR_PLASMA         	Serum
#TREATMENT
TR:TREATMENT_SUMMARY             	Intravenous carnitine
TR:TREATMENT_PROTOCOL_COMMENTS   	Non-treatment group: equivalent volume of saline placebo
TR:TREATMENT_COMPOUND            	L-carnitine
TR:TREATMENT_ROUTE               	4g bolus followed by an 8g infusion over 12h
TR:TREATMENT_DOSE                	12g
TR:TREATMENT_DOSEDURATION        	12h (following initial 4g bolus)
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Methanol:cholorform extraction, filtration
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	Lipid fractions saved, stored at -20°C
SP:PROCESSING_METHOD             	Methanol:Chloroform Extraction, filtration
SP:PROCESSING_STORAGE_CONDITIONS 	0-4°C
SP:EXTRACTION_METHOD             	Methanol:chloroform extraction
SP:EXTRACT_ENRICHMENT            	Ultra-filtration (3kDa filters) to remove residual protein
SP:EXTRACT_CLEANUP               	N/A
SP:EXTRACT_STORAGE               	-80 C
SP:SAMPLE_RESUSPENSION           	=500 uL Deuterium Oxide (D2O)
SP:SAMPLE_SPIKING                	CaFormate 12mM
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	-
CH:INSTRUMENT_NAME               	-
CH:COLUMN_NAME                   	-
#ANALYSIS
AN:ANALYSIS_TYPE                 	NMR
#NMR
NM:INSTRUMENT_NAME               	Agilent 500/54 Premium Shielded VNMRS system
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D-1H
NM:NMR_COMMENTS                  	Experiment dates: 11/7/2013, 11/11/2013, 11/19/2013
NM:STANDARD_CONCENTRATION        	10% (~0.5mM)
NM:SPECTROMETER_FREQUENCY        	500 MHz
NM:NMR_PROBE                     	ONE-Probe
NM:NMR_SOLVENT                   	D2O
NM:NMR_TUBE_SIZE                 	5mm
NM:SHIMMING_METHOD               	Auto shim (gradient shimming)
NM:PULSE_SEQUENCE                	1D-NOESY
NM:WATER_SUPPRESSION             	saturation at 80 Hz induced field strength
NM:PULSE_WIDTH                   	5.5ms
NM:POWER_LEVEL                   	around -178Hz
NM:CHEMICAL_SHIFT_REF_CPD        	Formate
NM:TEMPERATURE                   	25°C
NM:NUMBER_OF_SCANS               	32
NM:BASELINE_CORRECTION_METHOD    	manual
NM:CHEMICAL_SHIFT_REF_STD        	Calcium Formate
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS        	µM
NMR_METABOLITE_DATA_START
Samples	CMC2001-0	CMC2004-0	CMC2006-0	CMC2007-0	CMC2009-0	CMC2011-0	CMC2013-0	CMC2016-0	CMC2017-0	CMC2020-0	CMC2021-0	CMC2024-0	CMC2025-0	CMC2027-0	CMC2029-0	CMC2031-0	CMC2002-0	CMC2003-0	CMC2005-0	CMC2008-0	CMC2010-0	CMC2012-0	CMC2014-0	CMC2015-0	CMC2018-0	CMC2019-0	CMC2022-0	CMC2023-0	CMC2026-0	CMC2030-0	CMC2001-24	CMC2004-24	CMC2006-24	CMC2007-24	CMC2009-24	CMC2013-24	CMC2016-24	CMC2017-24	CMC2020-24	CMC2021-24	CMC2024-24	CMC2025-24	CMC2027-24	CMC2029-24	CMC2031-24	CMC2002-24	CMC2003-24	CMC2005-24	CMC2008-24	CMC2012-24	CMC2014-24	CMC2015-24	CMC2019-24	CMC2023-24	CMC2026-24	CMC2030-24	CMC2001-48	CMC2004-48	CMC2006-48	CMC2007-48	CMC2009-48	CMC2013-48	CMC2016-48	CMC2017-48	CMC2020-48	CMC2024-48	CMC2025-48	CMC2027-48	CMC2029-48	CMC2031-48	CMC2002-48	CMC2003-48	CMC2005-48	CMC2008-48	CMC2012-48	CMC2014-48	CMC2015-48	CMC2019-48	CMC2023-48	CMC2026-48	CMC2030-48
Factors	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Carnitine	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo	Treatment:Placebo
2-Hydroxybutyrate	35.6	103.6	37.2	50.4	44.4	49.9	40.7	58	175.8	44	89.9	127.2	13.9	47.7	38.3	96.2	74.8	73.8	66	76.5	38.2	173.8	40.3	44.5	45.2	90.5	71.5	65.1	59.3	73	20.8	148.4	38.8	63.1	85.6	78.4	69.4	137.4	102.8	151.9	101.3	14.2	31.2	79.7	113.4	26.3	97	44.6	58.2	200.8	57.1	41.5	73.4	51.5	36.4	96.6	45.2	132.5	81.4	30.8	41.4	78.4	65.3	36.8	111.7	33.3	15.5	27.5	44.3	76.3	24.9	112.2	43.3	25.4	141.2	64.5	26.8	42.6	153.3	96	32.2
2-Hydroxyisovalerate		15.4	7.8	4.5	7.1	7.7	5.4	5.1	34.5	9.4	5.7	7.6	10	9.6	4.6	11.3	5.4	3.1	6.2	4.8	15.4	23.7	4.8	2.3	5.7	5.1	16.9	2.4	14.7	9.3	6.2	25.4	7.9	4	8.1	11.3	13.8	46.6	15.9	17.1	7.7	7	8.1	5.9	16.3	6.2	9.7	7.1	6.2	25.3	9.7	3.9	2.8	2.6	6.2	10.5	12.4	47.1	10.2	3.3	12.5	20	19.7	36	16	3.9	11.7	5.5	4.4	19.8	7	6.8	8.6	2.2	35.5	10.9	2.2	0.7	4.3	17.6	5.1
3-Hydroxybutyrate	932.2	117.6	224.3	482.6	39.3	49.8	32	34.4	288	25.7	140.1	551.3	677.5	27.7	155.3	219.8	570.5	49.8	266.3	422.5	37.8	762.6	148.5	48.9	61	458.3	236	67.7	352.8	150	492.7	109	83	39	72.4	30.9	74.8	173.7	52.9	343.5	73.5	605.7	24.4	604.7	858.7	17.6	83.7	53.6	82.7	426	105.7	97	60.1	177.4	92.4	459.5	252.1	48.8	289.3	60.4	25	82.5	33.7	62.1	46.9	23.4	229.6	20.2	38.1	700.3	105.1	60	25.4	101.6	920.3	300.6	34.3	29.3	855.5	116.8	41.3
3-Hydroxyisobutyrate/Isobutyrate	41.2	12.7	22.1	13.4	19.8	10.3	40.1	12.9	23.7	22.1	14.6	34.3	34.9	27	9.6	32.2	8.8	18.9	17.3	11.6	20.4	96.7	15.1	12.8	16.3	17.8	12.7	15.5	14.6	19	26.9	58.7	12.3	11.3	13.2	43.2	17.8	13.5	17.7	55.7	17.8	27.5	21	22.7	36	3	21	11.6	10.9	59.9	10.9	13.2	13.9	12.9	7	20.3	25.4	39.6	12.5	5.7	10.4	38.8	18.2	13.1	16.4	7.6	19.4	15.1	17.6	20.9	62.7	15.3	8.4	4.3	54.1	10.3	9.4	13.8	21.7	11.6	15.2
3-Hydroxyisovalerate	16.4	2.1	2.5	5.9	2.3	2.1	2	1.6	8.7	1.6	2.6	4.2	2.6	2.6	2.4	3.1	4.1	1.1	1.7	2.2	2.3	2.8	2.3	10	4.3	1.7	8.7	3.1	3	4.6	15.7	0.7	2.1	2.3	0.8	2.2	3.6	6.5	1.6	9.7	2.9	2.8	1.9	1.8	7.1	6.5	0.9	0.5	5.2	9.1	1.4	2.8	1.9	1.9	1.9	4.7	16	5.2	2.5	1.9	1.7	3.3	4.7	3.4	1.2	1	3.4	2.2	4.1	4.2	5.2	2.9	2.6	0.9	5.3	3.2	2.9	2.3	3.3	5.4	2.4
Acetate	45.4	46.2	45.9	43.4	41.3	34.8	30.4	32.8	47.5	34.8	32.8	34.6	54.7	29.8	26.6	33.6	47.8	42.9	45.7	61.3	51.3	49.9	37.1	35.7	33.4	38.4	29.6	51.8	36	38.5	37.2	54.2	44	47.7	38.9	32	25.5	35.8	31.4	58.8	37.1	58.8	31.8	35.9	55.8	49	44	44.1	39.1	50.7	24.8	39.1	27.7	48.8	18.3	49.9	57.3	48.4	48.2	38.7	46	29.6	29.1	50.5	33.9	67.6	41.8	29.2	29.9	37.4	100.4	39.2	35.5	27	39.7	29.2	34.9	28.1	50.7	33.1	49
Acetoacetate	99.5	11	28.7	34.5	8.5	7.9	1.6	7	34.2	4.4	20.3	43.3	65.2	1	67.8	24.9	90.1	10.4	60.1	63.3	2.8	28.2	19.5	17.2	12.5	56.6	47.5	15.6	30.1	29	37.2	5.2	7.5	7.8	16.1	6	44.8	20.5	10.4	10.4	14.2	97.9	4.2	152.4	202.8	5.4	11.4	16.6	9.3	9.6	17.3	29.9	14	67.4	18.6	98.6	38	12	11.2	11.4	6.1	21.4	17.4	8.6	11.8	10.1	35.8	8	12.5	128.9	16.2	11	8.8	21.5	36	81.8	10.8	9.9	105.1	33.2	13.6
Alanine	220.8	364.6	212.6	204.1	215.5	131.2	151.6	211.3	329.4	204.7	95.6	187.7	74.8	372.2	117.6	122.6	94.9	206	167.4	120.9	213	1985.5	133.9	169.4	303.6	228.1	146.6	160.9	126	106.4	146.4	1242.3	246.1	246.1	186.6	180.1	102.1	195	203.6	610.5	140.7	37.8	319.8	97.2	108.2	227	134.3	205.3	127.3	671.7	113.7	117.7	129.2	76.9	135	85.8	170.9	550.5	232.7	74.3	159.8	130.5	148.2	355	213.3	105.6	36.6	365.8	212.8	94.4	96.8	218.7	136.3	70.1	148.7	110.2	112.7	185.1	102.5	341.8	135.3
Arginine	66.6	141.5	44.8	22.5	53.4	39.1	53.9	66.3	62.9	54.4	46.3	50.1	42	65.1	39.9	66.2	93.4	90.4	45.5	45.1	53.3	72.3	54.1	45.7	76.1	50.6	57.5	52.1	42.2	34.1	71	143.4	38.9	64	77.8	65	55	63.8	66.1	26.5	69.9	32.5	113.8	45.2	55.3	56.3	80.9	49	71	76.8	43.6	68.8	59	33.7	29.4	64	125.4	230.5	169.4	42.5	63.6	99.8	72.7	78.4	63.7	55.6	41.8	98.6	40.1	79.3	69.4	112.6	36.6	59	80.6	91.8	92	54.4	30.2	54.2	75.6
Betaine	29.8	27.9	22	25.4	19	16.6	38.4	16	118.2	38.4	25.4	16.1	127.5	18.4	35.1	26.4	32	23.6	21.4	28.1	35.2	48.9	21.5	13	25.5	13.1	22.6	19.4	49.1	34.6	19.4	27.8	14.3	38.8	8.6	21.8	10.6	100.3	14.5	110	13.7	119.1	15.7	28.4	38.5	25.4	22.2	18.6	12	22.2	12.3	13.3	8.4	6.9	27.2	31.2	18.5	17.4	15	16.1	8.5	13.8	8.4	62.9	11.2	7.4	84.5	13.6	15.3	30	19.6	17.6	16.6	8.7	11.8	13.5	12	13.2	7.9	48.7	20.8
Carnitine	53.3	20.5	32.8	9.3	19.1	262.1	15.2	22.5	25.9	17.2	26.3	34.6	16.9	13.1	15.2	24.9	17.2	44.4	9.3	23.7	37.6	37	21.4	27.8	23.8	8.1	14.6	17.7	15.3	26.7	458.8	76.4	242.9	456.1	37	171.9	89.4	1005.4	117.7	664	457.5	753.9	57.7	139.8	394.3	28.1	52.6	5.1	19.9	37.5	17.5	22.5	9.2	12.8	10.9	12.7	356.8	24.7	108.9	149.2	22.3	49.7	50.6	668.4	47.5	168.1	306.4	26.1	64.3	144.3	18.7	56.1	10.2	13.2	24.1	16	17.3	9.4	7.2	20	9.1
Choline	10.9	2.9	5.9	8.3	3.9	10.4	5.9	3.5	10.5	2.6	15.1	3.2	2.1	6.7	6.4	8.2	4.3	11.5	5.8	6.8	6.3	11.1	4.9	4.3	5.6	5.9	4.6	7.6	11.2	5.3	6.1	3.9	1.6	6.1	2.4	5.6	4.5	11.4	4.6	58.4	9.9	4.3	9.5	4.9	7.3	4	16.9	5.7	3.9	5.3	1.7	8	4.2	2.2	7.8	4.3	3.5	5.7	6.9	2.1	2.7	8.3	2.6	20.3	3.2	6.2	4.4	5.9	3.7	7.2	3.1	9.7	5.6	4.7	4.5	3.5	5.9	7.1	2.5	11.5	3.1
Citrate	21.3	91.3	49.1	34.4	24.9	25.6	43.5	23.2	33.1	46	13.7	41.2	70.7	61.6	30.3	35.3	53.7	30.1	73.1	55.9	50.3	15.8	21.8	23.3	71	49.1	40.2	33.2	67.7	34.6	32.3	58.4	21.2	13.6	20.4	29.4	19	192.1	30.3	53	22.9	47.2	51.5	30.9	34.3	40	10.1	19.1	40.1	20.3	17.2	18.9	33.1	24.3	31.7	33.2	26.9	69.9	25	26.1	26.9	22.6	18.8	13.2	31.9	21.9	54.6	60	31.6	27.9	24.3	41.3	22.5	27.9	20.4	31.6	21.5	33	27.1	89.5	29
Creatine	79.7	14.7	22.6	34.4	11.8	136.6	8.7	27.3	348.9	8.7	20.5	139.1	148	9.1	17.2	19.9	56.3	317.5	65.2	9.7	14.2	294.8	8.5	91.1	10.6	12.5	8.2	16.4	14.8	61.6	68.7	144.4	20.4	103.2	19.5	33.8	34.3	546.6	12.6	422.7	150.6	87	11.9	12.9	85.7	71.5	566.3	46.4	13	234.8	6.2	73.7	20.5	31.1	15	53.4	44.3	105	23.2	71.5	22.3	72.1	57.7	587.5	15.4	72.1	66	13.4	24.8	89.9	56	527.2	25.5	7.6	261.5	10.4	62.4	48.7	55.9	62.9	41.3
Creatinine	76.8	55.5	107.6	44.4	41.6	125.5	71.2	70.4	69.6	34.1	83.1	186.7	57.5	40.5	55.6	42.6	34.2	99.3	24.7	54.7	90.8	254.9	24.4	71.7	80.6	22.5	27.5	44.2	50.2	34.5	80.9	43.1	76.5	65.9	47.4	58.8	61.2	106.4	24.1	123.4	187.8	70.9	33.3	66.4	71	25.6	97.1	23.7	35	170.7	16.8	28.3	12	37.7	16	27.7	91.5	34.3	45.5	46.8	33.4	49.1	53.8	118.8	30.9	101.2	43.8	36.4	59	44.8	22.3	101.1	14.5	13	135.6	29	17.5	18.5	35.1	70.6	21
Glucose	2304.3	2361.7	1705.8	2539	2248.6	2675.4	3991.2	2749.8	2640.1	2606.4	2961.3	3987.1	3192.8	4281.9	5099.4	1692.5	2231.6	2233.7	3795.9	4980.7	4168.6	3900.8	3876.6	4116.6	2849.4	5309.3	4173.7	10316.6	2594.1	3045.9	3561.8	2843.4	1924.3	2922.1	2687.5	2490.8	2010.5	4553.2	2094.4	131.8	3975.3	3182.5	3193.6	2387.6	1801.9	2244.5	2646.4	4221.1	3051	3393.8	3098.2	2456.8	4896.6	2885.8	1569.3	2986.9	3655.4	4225.7	2413.7	2254.7	2893.2	2919.3	2512.3	3344.6	2687.7	3582.4	3225.8	3132.1	4730.9	1910	1483.4	3252.9	1823.9	1226.9	2846.1	3098	2462.4	2368.1	3714.4	2783.2	4535.8
Glutamine	386	637.9	332.5	267.1	286.5	201.6	246.6	186.9	835.4	225.9	122.2	226	274.1	378.3	180.1	222.5	239.6	213.7	238.4	228.5	323.4	493.7	348.8	182.1	378.1	299.8	217.3	164.3	221.3	156.4	199.8	1105.5	333.6	243.5	196.8	197	130.8	510.3	202.9	540.4	130.3	191.5	313.6	125.5	200.1	249.8	158.1	202.7	204.6	350	238.3	177.7	236.4	115.7	158.8	180.5	227.1	665.7	365.6	120.1	179.1	291.7	133.3	398.2	205	142.3	176.9	268.5	184.1	185.4	239.9	197.4	149.7	118.5	155.4	266.4	207.2	242.9	103.1	414.7	220.8
Glycerol	914.5	156.4	345.5	210.1	45.8	96.3	1443.4	109.5	854.7	38.2	44.7	150.6	860.5	197.2	103.9	118	148.9	110.3	109.1	79	794	31.9	265.5	863.1	95.6	196.5	343	423.1	729.4	113.8	62.6	179.6	145.4	172.2	74.7	502.5	155.5	152.2	61.5	450.7	538.7	597.9	596.5	426.5	268.3	76.5	118.4	69.8	86.4	83.6	313.5	361.6	110.3	53.3	220.1	39.6	74.9	108.1	235.1	279.6	88.2	218.8	232.4	86	131.1	123.1	479.5	117.1	115	420.5	53	135.5	125.5	29.5	38	79.9	217	53.8	202.1	213.9	91.7
Glycine	100.9	174.9	86.1	101.7	78.7	55.3	51.4	87.5	288.7	95.6	41.4	78.3	102.7	130.1	51	43.8	182.6	121.7	95.2	52.7	54.2	301.3	87.4	59.9	73.6	85.2	69.5	38.1	68.7	45.6	109.5	284	127.3	82.9	72.8	83	52.6	195.4	72.7	248.2	53.2	93.3	105.1	44.2	58	282.9	60	107.4	68.4	112.4	73.3	54.9	69.5	32	68.5	51.3	164.8	214.2	117.9	42.9	79.9	110.1	72.4	309.5	63.6	72.8	82.9	127.3	63.7	62.7	203.2	124.3	83.6	61.4	52.4	98.9	119.3	82.3	56.5	175.2	40.9
Isoleucine	20.1	13.2	16.7	18.1	9.4	20.5	11.4	21.9	59.7	17.2	25	37.8	9.5	28.7	13.1	21.7	24.7	18.4	21.1	14.4	11.7	45.4	8.8	18.3	22.8	30.8	41.1	10.4	28.6	20.5	17.2	60.1	31	13.1	26.2	26.3	27.2	23.2	29.1	74.2	27.8	7	37.5	27.8	43.2	27.8	25.2	23.5	29.9	44.9	21.7	22.6	26.3	16.4	20.7	35.7	20.7	67.4	40.3	11.8	35.2	63.3	32.3	37	59.2	24.7	9.3	29.5	34.5	41	18.9	28.6	14.5	19.4	43.4	35.8	20.9	22.2	39.9	44.3	25.5
Isopropanol	16.5	2.8	8.5	3.8	10.2	43.3	2.7	8	8.3	2.3	4.5	2.7	13.9	1.5	0.4	21.6	3.6	34.1	12.9	10.8	15.3	3.2	1.7	20.8	1.2	0.5	51.9	1.8	18.3	6.3	5.6	6.1	4.1	16.5	5.9	47.8	10.4	19.2	6.5	9.5	8	15.5	2	1	8.7	1.9	33.6	22.1	12.9	9.5	1.6	17.6	0.9	15.7	4.2	1.4	5.9	6.6	6.8	5.4	9.7	58.5	9.3	21.2	1	5.1	26.5	3.3	5.1	11.8	6	4.5	2	2.3	13.9	21	15.3	2.6	9.7	39.5	8.1
Lactate	1058.2	4012.2	1003.4	2654	1952.6	1176.1	1907.7	1482.1	2271.3	1368.4	2670.4	1721.8	1798.4	1278.2	1037.1	2204.9	884.4	2928.3	1325.3	1774.5	6574.6	6083.6	1193.2	1974.8	1997.4	1347.7	1078.7	4351.7	1300.3	1746.9	662.8	5005.2	794.7	3470.5	1052.7	1140.1	626.3	1468.1	979.8	6955.7	1219.5	1121.5	923	812.9	654.3	1001.3	2125.9	1573.6	1968.9	3838.1	745	1015.7	788.6	977.9	741	945.6	1164.1	1656.3	741.9	1236.2	773.4	775.4	1170.3	973	790	757	1061.2	1071.8	1283.2	538.7	584.6	1787.7	1705.6	448.1	1173.5	682.5	730.2	1068	887.5	1409.3	1476
Leucine	50.1	49.7	36.9	38.8	29.3	47.1	37.2	41.4	138.3	30.9	46.8	57.5	10.3	53.5	30.9	37.8	32	29.8	55.7	28.1	25.7	151.8	28.7	29.7	47.6	50.1	57	35.2	29.5	28.5	34.7	123.4	48.4	22.9	48.2	39.6	44.5	35.8	53	147.7	45.1	12.8	55.1	39.6	60.3	30.2	38.1	33.5	38.6	82.9	21.1	38.7	33.5	45.3	24.6	40.6	41.4	114.1	105.4	18.1	48.3	85.1	51.4	48	83.2	39	11.4	50.3	48.4	76.9	29.2	50.9	23.8	30.8	56.6	58.3	35.8	36.1	91.7	51.3	45.2
Lysine	148.5	57.2	99.9	56.8	45.9	51.7	53.8	93.3	179.1	76.1	42.7	92.7	48.2	136.7	37	46.6	74.9	75.4	76.9	61.4	31.6	240.9	42.5	64.5	81.2	64.5	61.3	38.6	78	51.8	103.3	292.9	110.9	51.9	66.7	146.3	71.6	74.2	80.3	239.9	92.5	41	120.9	43.6	163.1	83.8	61.9	90.6	67	123.5	64.3	68	67.6	40.3	54.3	72	119.8	374.6	201.4	63.9	78.4	172.2	70.5	140.2	139.3	85.9	55.2	91.2	84.5	132.3	62.2	91.2	65.4	36.1	109.4	71.3	74.5	105.2	78.7	150.6	91.8
Malonate	15.5	11.7	10.9	10.8	7	57.9	12.9	14.3	45.8	12.7	23	14.6	21.6	19.2	16.9	15.5	67	16.6	29.6	9.6	52.1	9.3	15.7	16.1	21.2	9.6	13.8	6.5	16.8	8.5	30.8	33.6	9.8	11.6	15.7	20.8	18	24	8.2	127.1	35.6	46.3	21.3	20.3	39.5	62.3	19.3	2.9	6.7	29.3	7.7	9.1	9.6	9.2	4.8	7.8	29.2	27.2	13.3	7.2	10.4	11.7	7.8	66.3	10.8	17.1	35.1	12.4	12.6	29.9	9.8	21.3	13.2	6.8	15.2	12.6	7.4	8	11.2	20.9	8.8
Methionine	8.4	21.2	12.9	11.8	8.2	18.6	9.9	22.5	85.1	21.1	13.5	19.1	8.4	31.9	7.3	13.4	11.1	12.8	10.2	13.3	17.4	43.6	8.4	7.6	21.2	14.3	17.2	6.8	19.6	4.4	24.1	136	17	11.2	11	17.8	15.9	46.7	38.4	82.3	20.5	11.8	35.5	18.1	30.1	24.7	7.8	3.9	15.8	23.2	14.2	7.1	20.6	5.7	15.9	17.5	19.7	249.2	33.4	10.9	21	31.5	14.5	73.7	44.6	18.8	7.8	28.8	14.9	14.5	12.4	22.3	7.2	7.4	11.7	15.3	18.1	23.5	9.8	41.2	15.5
myo-Inositol	80.7	96.1	53.8	15.2	180.2	275.4	343.2	85	83.6	51.3	238.9	187.1	221	131.3	174.8	86.4	68.2	482.2	30.6	23.1	85.2	156.1	34.8	56	155.2	16.3	12.5	40.6	43.1	28.4	47.5	38	19.9	85.5	32.5	112.2	43.6	101.2	22.2	364.3	107.4	171.2	46.7	88.8	75.3	35.7	325.3	15.2	25.2	100.1	25.5	39.4	15.9	92.6	42.1	14.2	48.9	50.8	35.1	31	0.7	37.2	35.7	122.2	18.6	25.3	61.7	15.2	42	36.6	48.3	281	3	5.6	49.9	35.6	18.7	16.5	22.8	63.1	8.8
N,N-Dimethylglycine	24.3	1.5	6.1	2	2.4	2.8	4.9	3.2	5.1	2.8	5.9	1.9	4.5	3.7	3.1	1.6	3	4.6	1.8	2.9	6.8	4.9	0.8	0.6	3.6	1.3	3.1	1.9	3	1.8	22.5	9.2	1.7	4.4	2.4	4.8	1.6	6.2	2	4.8	2.2	4.3	2.1	1.2	5.8	2.7	6.1	2	2	4	1.6	1	1.8	1.4	1.9	0.9	31.5	6.9	3.3	2.2	2.6	6.7	2.1	4.3	2.5	1.4	3.8	1.8	1.2	3.9	2.4	6	1.9	1.6	2.6	2.9	2	2.3	2.6	5.8	1.9
Acetylcarnitine	27.2	7.2	11.7	5.6	3.1	77.8	3.9	4.5	8.9	5.6	5.7	20.2	19.2	4.2	6.9	13.6	12.5	13.9	6.3	12.9	7.3	23	6.8	5.2	4.7	3.6	5.3	11.3	8.8	7.6	140.1	24.4	47.9	88.6	9	37.3	27.3	250.3	17.5	130	141.4	143.4	15.9	46.1	180	7.7	15.3	2.4	3.4	14.3	4.5	7.6	3.4	5.2	4.7	9.5	146.4	10.4	25.4	37.4	4.7	18.8	9.8	273.1	8.2	60.4	168.2	7.4	16.1	150.8	10.7	19.2	3.1	4.7	10.5	8.6	5.8	3.2	7	6.4	3.9
Ornithine	126.8	27.3	51.2	53.7	22.5	22	23	22.9	85	12.1	36.6	20.5	21.3	56	7.8	27.8	55.8	26.2	33.5	38.9	22.7	58.4	23.9	14	32.9	25.9	24.7	19.5	26.5	18.5	44.3	77.6	29.4	31.3	27.5	32.5	26.7	29.7	29.8	77.1	17.1	22.7	40.4	19.5	60.3	30.5	28.4	21.6	21.8	48.1	23.1	13.4	27.5	19.3	18.9	43.4	57.5	164.2	71.6	30	28.1	74.6	25.1	66.4	73.5	12.4	33.1	28.9	20.3	65.5	42.1	66.5	6.8	4.4	48.7	36.7	28.6	44	40.6	35	127.9
Phenylalanine	89.5	45.9	43.8	33.4	35.8	95.9	105	50.6	130.9	56.3	70.4	52.7	48.4	83.7	42	42.2	40.9	47.5	50.4	52.9	44.9	81.5	39	43.4	51.9	75.2	53.2	26.5	49.6	41.6	60.9	135.7	28.9	50.9	60.7	70.7	46.1	87.6	72.5	180	45	23.1	67.5	57.7	61.9	38.9	81.2	44.9	44.5	57.3	29.1	48.9	37.1	43.4	29.4	44.7	48.1	152.4	50.3	31.4	67.4	76.5	44.3	77.9	61.4	48.6	32.5	48.2	57.1	40.4	37.5	72.9	43.7	28.6	65.1	44.7	33.1	36.1	52.8	63.8	53.8
Proline	103.9	195.9	167.8	130.8	98.5	72.5	98.6	96.3	296.9	170	82.3	127	114.5	143.4	60.2	103.7	96.6	47.9	154.4	108.6	119.6	345.5	160.8	73.2	102.5	75.4	90.6	42	87.5	56.5	100.7	463.8	77.9	123.9	99.2	62.9	51	230.6	134.2	332.5	110.2	102.1	127.2	48.3	95.9	118	112.2	148.1	94.5	291	120.8	80.5	82.6	41.3	29.5	48.7	114	338.8	216.2	75.5	84	122.4	59.5	328.6	104.9	86.1	118	200.9	81.1	62.7	95	166.4	133.7	63.6	97.6	118.9	167.2	97.6	44.7	105.6	105.2
Propylene glycol	118.7	190.6	82.1	36.3	29	40.7	27.3	33	40.4	642.9	15.6	45.8	507.2	24.2	31.9	83.2	35.7	121.4	29	76.1	35.8	28.4	27	66.5	110.4	25.2	50.2	35.5	146.2	149.1	55.1	36.6	56.1	34.3	28	76.9	24.4	118.3	82.8	78.1	89.3	79.3	28.8	26.3	68.9	39.1	94.2	22.3	59.1	36.9	23.3	32.4	16.8	123.5	34.2	54.3	28	170.8	43.2	49.3	36.2	40.9	30.1	41.5	40.7	131.9	59.6	28.9	20.2	46.1	50.7	76.6	17.8	22.9	30.5	33.4	22.1	26.4	103.4	82.7	125.5
Serine	180.1	37.4	65.5	81.9	36.1	70.5	35.6	57	75.6	35	68.1	90.7	43.9	81.8	30.5	61.1	87.8	142.2	54	53	59	70.4	45.1	50.7	55.2	59.2	73.9	34.2	43.8	30.5	130.2	149.5	45.6	62.8	58.2	44.8	72.8	113.9	42.3	101.7	31.6	49.2	58.1	60.2	72.4	102.3	101.9	51.8	52.8	83.3	37.7	54.9	46.3	26.3	19	66	84.7	201.6	154.1	59.1	77.3	56.9	78.9	118.2	66	30.7	47.9	65.5	90.5	36.8	72.2	159.1	46.5	20	39.8	56.3	40	78.4	33.1	75.8	64.5
Threonine	57.7	100.2	68.3	78.8	37.1	71.2	54.1	61.6	160.2	82.2	69.2	104.6	41.9	74.7	57.6	34.4	54.6	170.5	82.9	12.5	52.9	86.4	46.8	76.2	74.2	65.1	81.5	32.4	56.8	42.5	95.8	201.9	57.3	38.9	64.3	80	73.4	185.8	58.1	134.7	72.2	41.9	75	34.6	97.7	48.4	97.4	51.5	59.5	81.6	61.7	36.2	69.2	50	54.5	69.6	150.8	220.9	106	28	93	101.5	106.3	178.6	56.5	65.6	78.1	135.5	74.2	92.1	43	81.4	47.5	37.8	42.4	94.2	66.8	117.2	97.7	143.6	85.7
Tryptophan	24.2	13.6	14.6	10.3	7.9	14.7	11.6	15.8	25.9	13.2	14.8	19.2	18.9	17.4	19.8	20.3	20.1	17.6	15.6	10.8	10.8	20.5	14.1	13.3	12	28.1	21.3	18.6	26.7	6	14.1	19.9	7.9	8.5	23.3	6.1	15.6	28.9	23.1	35.3	18.2	11.6	15.2	11.7	19.1	6.6	19.7	17.3	10.9	21.9	13.8	18.8	18.6	14.1	12.8	20	14.7	35	11.3	16.8	22.2	15.3	27.3	23.7	24.6	19.4	10.4	23.6	18	19	3.9	19.4	10.1	6.8	15.7	16.6	19	21.6	17.3	33.3	15.2
Tyrosine	53.3	59.9	28	17.2	26.2	22.6	25.3	28.9	33.6	31.7	50.3	35.8	17.4	58	20	26.9	44.8	40.8	26.6	16.7	34.1	78.1	22.1	10.3	27.2	37.3	29	17.5	34.3	27	42.3	85.4	42.2	11.7	51	32.8	23.2	24.5	59.9	124.6	35.2	5.3	53.1	15	32.6	34.5	35.9	29.4	31	40.3	19.6	27.5	27.4	15.9	23.9	35.3	39.3	115.9	65.7	14.5	41.9	38.7	25.2	12.7	60.4	33.9	10.9	55.2	32.5	31.8	22	32.3	22.2	20.3	30.5	24.1	26.1	36.2	19.2	47.6	48.1
Valine	105.6	70.8	76.4	68.7	49.4	100.8	77.5	62.8	171.8	73.6	70.3	103.6	23.8	108.2	63.7	64.8	60.1	75.2	103.4	60.8	43.5	213.6	49.3	72.6	76	97.1	98.8	98.7	59.1	72.8	82.4	166	85.7	46.7	73.2	88	88.3	75.8	95.8	184.1	87.7	18.4	114.7	71	109.4	43.5	83.8	82	62.8	165	48.8	79	67.4	69.2	38.5	80.6	73.4	230.5	145.9	34.2	95.8	162.2	83.2	91.8	148.7	68.7	23.7	90.5	91.7	124.4	43.6	88.2	54.6	38.8	112.8	81.5	92	88.5	126.4	82	104.2
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Retention Index	Moverz Quant	Local ID	PubChem CID	KEGG ID	mass spectrum
2-Hydroxybutyrate					C05984
2-Hydroxyisovalerate
3-Hydroxybutyrate					C01089
3-Hydroxyisobutyrate/Isobutyrate					C06001/C02632
3-Hydroxyisovalerate
Acetate					C00033
Acetoacetate					C00164
Alanine					C00041
Arginine					C00062
Betaine					C00719
Carnitine					C00318
Choline					C00114
Citrate					C00158
Creatine					C00300
Creatinine					C00791
Glucose					C00031
Glutamine					C00064
Glycerol					C00116
Glycine					C00037
Isoleucine					C00407
Isopropanol					C01845
Lactate					C00186
Leucine					C00123
Lysine					C00047
Malonate					C00383
Methionine					C00073
myo-Inositol					C00137
N,N-Dimethylglycine					C01026
Acetylcarnitine					C02571
Ornithine					C00077
Phenylalanine					C00079
Proline					C00148
Propylene glycol					C00583
Serine					C00065
Threonine					C00188
Tryptophan					C00078
Tyrosine					C00082
Valine					C00183
METABOLITES_END
#END