#METABOLOMICS WORKBENCH bhun7404_20240505_173231 DATATRACK_ID:4817 STUDY_ID:ST003274 ANALYSIS_ID:AN005360 PROJECT_ID:PR002031
VERSION             	1
CREATED_ON             	June 19, 2024, 4:07 pm
#PROJECT
PR:PROJECT_TITLE                 	Diabetic ischaemic cardiomyopathy: Characterising the left ventricular
PR:PROJECT_TITLE                 	myocardial molecular profile in advanced human heart failure
PR:PROJECT_TYPE                  	Human heart failure left ventricular myocardial multi-omics study across
PR:PROJECT_TYPE                  	multiple disease phenotypes
PR:PROJECT_SUMMARY               	Ischaemic cardiomyopathy (ICM) is the most common cause of heart failure (HF)
PR:PROJECT_SUMMARY               	and often coexists with diabetes mellitus (DM). Yet, their combined effects are
PR:PROJECT_SUMMARY               	seldom investigated and are poorly understood. Herein, we performed multi-omic
PR:PROJECT_SUMMARY               	analyses of end-stage ICM with DM (ICM-DM) against ICM-No DM, non-ischaemic
PR:PROJECT_SUMMARY               	(dilated) cardiomyopathy with DM (NICM-DM), NICM-No DM, and healthy age-matched
PR:PROJECT_SUMMARY               	donors (AMD). Tissue was sourced from pre-mortem human left ventricular
PR:PROJECT_SUMMARY               	myocardium. Though fatty acid oxidation (FAO) proteins were down-regulated in
PR:PROJECT_SUMMARY               	ICM-DM relative to AMD and other HF, the unique ICM-DM down-regulation of
PR:PROJECT_SUMMARY               	acylcarnitines, perilipin, and ketone body, amino acid, and glucose metabolising
PR:PROJECT_SUMMARY               	proteins indicated FAO may not be entirely impaired. Oxidative phosphorylation
PR:PROJECT_SUMMARY               	appeared reduced in HF but exacerbated in ICM-DM, consistent with purportedly
PR:PROJECT_SUMMARY               	increased oxidative stress. Extracellular matrix proteins including collagens
PR:PROJECT_SUMMARY               	were up-regulated principally in ICM-DM despite the absence of macroscopic scar
PR:PROJECT_SUMMARY               	tissue. These findings were supported histologically and in metabolomic and RNA
PR:PROJECT_SUMMARY               	sequencing analyses.
PR:INSTITUTE                     	The University of Sydney
PR:LAST_NAME                     	Hunter
PR:FIRST_NAME                    	Benjamin
PR:ADDRESS                       	John Hopkins Dr, Camperdown, NSW, 2006, Australia
PR:EMAIL                         	benjamin.hunter@sydney.edu.au
PR:PHONE                         	+61422525639
#STUDY
ST:STUDY_TITLE                   	Metabolomics analysis within healthy donors and end-stage heart failure with a
ST:STUDY_TITLE                   	focus on ischaemic cardiomyopathy with diabetes
ST:STUDY_TYPE                    	Human heart failure left ventricular myocardial metabolomics study across
ST:STUDY_TYPE                    	multiple disease phenotypes.
ST:STUDY_SUMMARY                 	This study involves the analysis of water soluble metabolites within healthy and
ST:STUDY_SUMMARY                 	human heart failure conditions with a focus on ischaemic cardiomyopathy with
ST:STUDY_SUMMARY                 	diabetes and is part of a project which also integrates lipidomics, proteomics,
ST:STUDY_SUMMARY                 	RNA-seq, and histological analyses to identify molecular mechanisms influencing
ST:STUDY_SUMMARY                 	disease phenotypes. Ischaemic cardiomyopathy (ICM) is the most common cause of
ST:STUDY_SUMMARY                 	heart failure (HF) and often coexists with diabetes mellitus (DM). Yet, their
ST:STUDY_SUMMARY                 	combined effects are seldom investigated and are poorly understood. Herein, we
ST:STUDY_SUMMARY                 	performed multi-omic analyses of end-stage ICM with DM (ICM-DM) against ICM-No
ST:STUDY_SUMMARY                 	DM, non-ischaemic (dilated) cardiomyopathy with DM (NICM-DM), NICM-No DM, and
ST:STUDY_SUMMARY                 	healthy age-matched donors (AMD). Tissue was sourced from pre-mortem human left
ST:STUDY_SUMMARY                 	ventricular myocardium. Though fatty acid oxidation (FAO) proteins were
ST:STUDY_SUMMARY                 	down-regulated in ICM-DM relative to AMD and other HF, the unique ICM-DM
ST:STUDY_SUMMARY                 	down-regulation of acylcarnitines, perilipin, and ketone body, amino acid, and
ST:STUDY_SUMMARY                 	glucose metabolising proteins indicated FAO may not be entirely impaired.
ST:STUDY_SUMMARY                 	Oxidative phosphorylation appeared reduced in HF but exacerbated in ICM-DM,
ST:STUDY_SUMMARY                 	consistent with purportedly increased oxidative stress. Extracellular matrix
ST:STUDY_SUMMARY                 	proteins including collagens were up-regulated principally in ICM-DM despite the
ST:STUDY_SUMMARY                 	absence of macroscopic scar tissue. These findings were supported histologically
ST:STUDY_SUMMARY                 	and in metabolomic and RNA sequencing analyses.
ST:INSTITUTE                     	University of Sydney
ST:LAST_NAME                     	Hunter
ST:FIRST_NAME                    	Benjamin
ST:ADDRESS                       	John Hopkins Dr, Camperdown, NSW, 2006, Australia
ST:EMAIL                         	benjamin.hunter@sydney.edu.au
ST:PHONE                         	+61422525639
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	21-66 years
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           	ICMDM_1	1	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=41; BMI=NA; Run position=5; RAW_FILE_NAME(Raw file name)=5_1
SUBJECT_SAMPLE_FACTORS           	ICMDM_2	2	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=45; BMI=NA; Run position=6; RAW_FILE_NAME(Raw file name)=6_2
SUBJECT_SAMPLE_FACTORS           	ICMDM_3	3	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:F	Age=46; BMI=NA; Run position=16; RAW_FILE_NAME(Raw file name)=16_3
SUBJECT_SAMPLE_FACTORS           	ICMDM_4	4	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=49; BMI=NA; Run position=17; RAW_FILE_NAME(Raw file name)=17_4
SUBJECT_SAMPLE_FACTORS           	ICMDM_5	5	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=50; BMI=NA; Run position=27; RAW_FILE_NAME(Raw file name)=27_5
SUBJECT_SAMPLE_FACTORS           	ICMDM_6	6	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=51; BMI=NA; Run position=28; RAW_FILE_NAME(Raw file name)=28_6
SUBJECT_SAMPLE_FACTORS           	ICMDM_7	7	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=51; BMI=NA; Run position=38; RAW_FILE_NAME(Raw file name)=38_7
SUBJECT_SAMPLE_FACTORS           	ICMDM_8	8	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=53; BMI=35.3; Run position=39; RAW_FILE_NAME(Raw file name)=39_8
SUBJECT_SAMPLE_FACTORS           	ICMDM_9	9	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=55; BMI=24.1; Run position=49; RAW_FILE_NAME(Raw file name)=49_9
SUBJECT_SAMPLE_FACTORS           	ICMDM_10	10	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=56; BMI=34.1; Run position=50; RAW_FILE_NAME(Raw file name)=50_10
SUBJECT_SAMPLE_FACTORS           	ICMDM_11	11	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=56; BMI=29.7; Run position=7; RAW_FILE_NAME(Raw file name)=7_11
SUBJECT_SAMPLE_FACTORS           	ICMDM_12	12	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=59; BMI=NA; Run position=8; RAW_FILE_NAME(Raw file name)=8_12
SUBJECT_SAMPLE_FACTORS           	ICMDM_13	13	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=59; BMI=NA; Run position=18; RAW_FILE_NAME(Raw file name)=18_13
SUBJECT_SAMPLE_FACTORS           	ICMDM_14	14	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=65; BMI=NA; Run position=19; RAW_FILE_NAME(Raw file name)=19_14
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_1	15	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=41; BMI=22.9; Run position=29; RAW_FILE_NAME(Raw file name)=29_15
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_2	16	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=42; BMI=NA; Run position=30; RAW_FILE_NAME(Raw file name)=30_16
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_3	17	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=43; BMI=23.5; Run position=40; RAW_FILE_NAME(Raw file name)=40_17
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_4	18	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=45; BMI=32.7; Run position=41; RAW_FILE_NAME(Raw file name)=41_18
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_5	19	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=47; BMI=NA; Run position=51; RAW_FILE_NAME(Raw file name)=51_19
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_6	20	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=48; BMI=30.9; Run position=52; RAW_FILE_NAME(Raw file name)=52_20
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_7	21	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=49; BMI=NA; Run position=9; RAW_FILE_NAME(Raw file name)=9_21
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_8	22	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=50; BMI=NA; Run position=10; RAW_FILE_NAME(Raw file name)=10_22
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_9	23	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=50; BMI=28.7; Run position=20; RAW_FILE_NAME(Raw file name)=20_23
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_10	24	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=54; BMI=NA; Run position=21; RAW_FILE_NAME(Raw file name)=21_24
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_11	25	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=54; BMI=NA; Run position=31; RAW_FILE_NAME(Raw file name)=31_25
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_12	26	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=54; BMI=NA; Run position=32; RAW_FILE_NAME(Raw file name)=32_26
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_13	27	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=62; BMI=NA; Run position=42; RAW_FILE_NAME(Raw file name)=42_27
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_14	28	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=62; BMI=26.1; Run position=43; RAW_FILE_NAME(Raw file name)=43_28
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_15	29	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=62; BMI=20.7; Run position=53; RAW_FILE_NAME(Raw file name)=53_29
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_16	30	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=66; BMI=23.2; Run position=55; RAW_FILE_NAME(Raw file name)=55_30
SUBJECT_SAMPLE_FACTORS           	NICMDM_1	31	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Age=22; BMI=20.4; Run position=11; RAW_FILE_NAME(Raw file name)=11_31
SUBJECT_SAMPLE_FACTORS           	NICMDM_2	32	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Age=31; BMI=NA; Run position=12; RAW_FILE_NAME(Raw file name)=12_32
SUBJECT_SAMPLE_FACTORS           	NICMDM_3	33	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Age=53; BMI=NA; Run position=22; RAW_FILE_NAME(Raw file name)=22_33
SUBJECT_SAMPLE_FACTORS           	NICMDM_4	34	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Age=56; BMI=31.3; Run position=23; RAW_FILE_NAME(Raw file name)=23_34
SUBJECT_SAMPLE_FACTORS           	NICMDM_5	35	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Age=56; BMI=NA; Run position=33; RAW_FILE_NAME(Raw file name)=33_35
SUBJECT_SAMPLE_FACTORS           	NICMDM_6	36	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Age=58; BMI=25.6; Run position=35; RAW_FILE_NAME(Raw file name)=35_36
SUBJECT_SAMPLE_FACTORS           	NICMDM_7	37	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Age=59; BMI=NA; Run position=45; RAW_FILE_NAME(Raw file name)=45_37
SUBJECT_SAMPLE_FACTORS           	NICMDM_8	38	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Age=61; BMI=24.5; Run position=46; RAW_FILE_NAME(Raw file name)=46_38
SUBJECT_SAMPLE_FACTORS           	NICMDM_9	39	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Age=63; BMI=19.2; Run position=56; RAW_FILE_NAME(Raw file name)=56_39
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_1	40	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Age=43; BMI=NA; Run position=57; RAW_FILE_NAME(Raw file name)=57_40
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_2	41	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=43; BMI=NA; Run position=13; RAW_FILE_NAME(Raw file name)=13_41
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_3	104	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=44; BMI=NA; Run position=122; RAW_FILE_NAME(Raw file name)=122_104
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_4	42	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=45; BMI=34.4; Run position=15; RAW_FILE_NAME(Raw file name)=15_42
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_5	43	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=49; BMI=26.4; Run position=25; RAW_FILE_NAME(Raw file name)=25_43
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_6	44	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Age=50; BMI=NA; Run position=26; RAW_FILE_NAME(Raw file name)=26_44
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_7	45	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=51; BMI=23.5; Run position=36; RAW_FILE_NAME(Raw file name)=36_45
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_8	46	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Age=53; BMI=NA; Run position=37; RAW_FILE_NAME(Raw file name)=37_46
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_9	47	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=53; BMI=28.2; Run position=47; RAW_FILE_NAME(Raw file name)=47_47
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_10	48	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=54; BMI=26.6; Run position=48; RAW_FILE_NAME(Raw file name)=48_48
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_11	49	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=54; BMI=NA; Run position=58; RAW_FILE_NAME(Raw file name)=58_49
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_12	50	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=55; BMI=NA; Run position=59; RAW_FILE_NAME(Raw file name)=59_50
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_13	51	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=56; BMI=18.1; Run position=60; RAW_FILE_NAME(Raw file name)=60_51
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_14	52	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Age=58; BMI=NA; Run position=61; RAW_FILE_NAME(Raw file name)=61_52
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_15	53	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=58; BMI=22.6; Run position=71; RAW_FILE_NAME(Raw file name)=71_53
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_16	54	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Age=60; BMI=NA; Run position=72; RAW_FILE_NAME(Raw file name)=72_54
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_17	55	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=62; BMI=NA; Run position=82; RAW_FILE_NAME(Raw file name)=82_55
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_18	56	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=52; BMI=22.5; Run position=83; RAW_FILE_NAME(Raw file name)=83_56
SUBJECT_SAMPLE_FACTORS           	Donor_1	91	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=21; BMI=NA; Run position=69; RAW_FILE_NAME(Raw file name)=69_91
SUBJECT_SAMPLE_FACTORS           	Donor_2	92	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=23; BMI=NA; Run position=70; RAW_FILE_NAME(Raw file name)=70_92
SUBJECT_SAMPLE_FACTORS           	Donor_3	93	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=23; BMI=25.7; Run position=80; RAW_FILE_NAME(Raw file name)=80_93
SUBJECT_SAMPLE_FACTORS           	Donor_4	94	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=25; BMI=NA; Run position=81; RAW_FILE_NAME(Raw file name)=81_94
SUBJECT_SAMPLE_FACTORS           	Donor_5	95	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=47; BMI=NA; Run position=90; RAW_FILE_NAME(Raw file name)=90_95
SUBJECT_SAMPLE_FACTORS           	Donor_6	96	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=47; BMI=NA; Run position=91; RAW_FILE_NAME(Raw file name)=91_96
SUBJECT_SAMPLE_FACTORS           	Donor_7	97	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=48; BMI=23.1; Run position=99; RAW_FILE_NAME(Raw file name)=99_97
SUBJECT_SAMPLE_FACTORS           	Donor_8	98	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=49; BMI=NA; Run position=100; RAW_FILE_NAME(Raw file name)=100_98
SUBJECT_SAMPLE_FACTORS           	Donor_9	99	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=51; BMI=NA; Run position=108; RAW_FILE_NAME(Raw file name)=108_99
SUBJECT_SAMPLE_FACTORS           	Donor_10	100	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=53; BMI=NA; Run position=109; RAW_FILE_NAME(Raw file name)=109_100
SUBJECT_SAMPLE_FACTORS           	Donor_11	101	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=53; BMI=NA; Run position=110; RAW_FILE_NAME(Raw file name)=110_101
SUBJECT_SAMPLE_FACTORS           	Donor_12	102	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=54; BMI=NA; Run position=111; RAW_FILE_NAME(Raw file name)=111_102
SUBJECT_SAMPLE_FACTORS           	Donor_13	103	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=54; BMI=27.3; Run position=121; RAW_FILE_NAME(Raw file name)=121_103
SUBJECT_SAMPLE_FACTORS           	Donor_14	105	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=55; BMI=18.4; Run position=132; RAW_FILE_NAME(Raw file name)=132_105
SUBJECT_SAMPLE_FACTORS           	Donor_15	106	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=56; BMI=NA; Run position=133; RAW_FILE_NAME(Raw file name)=133_106
SUBJECT_SAMPLE_FACTORS           	Donor_16	107	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=60; BMI=26.1; Run position=143; RAW_FILE_NAME(Raw file name)=143_107
SUBJECT_SAMPLE_FACTORS           	Donor_17	108	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=62; BMI=33.9; Run position=145; RAW_FILE_NAME(Raw file name)=145_108
SUBJECT_SAMPLE_FACTORS           	Donor_18	109	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=62; BMI=NA; Run position=155; RAW_FILE_NAME(Raw file name)=155_109
SUBJECT_SAMPLE_FACTORS           	Donor_19	110	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=65; BMI=NA; Run position=156; RAW_FILE_NAME(Raw file name)=156_110
SUBJECT_SAMPLE_FACTORS           	Donor_20	111	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=65; BMI=NA; Run position=112; RAW_FILE_NAME(Raw file name)=112_111
#COLLECTION
CO:COLLECTION_SUMMARY            	Donated human myocardium. Refer to uploaded acquisition methods.
CO:COLLECTION_PROTOCOL_FILENAME  	IHD-DM_paper_metabolomics_methods.pdf
CO:SAMPLE_TYPE                   	Heart
CO:STORAGE_CONDITIONS            	Described in summary
#TREATMENT
TR:TREATMENT_SUMMARY             	Non-diseased/healthy donor left ventricular human myocardial tissue was compared
TR:TREATMENT_SUMMARY             	the left ventricle of heart failure phenotypes; ischaemic cardiomyopathy with
TR:TREATMENT_SUMMARY             	diabetes (ICM-DM), ischaemic cardiomyopathy without diabetes (ICM-No DM),
TR:TREATMENT_SUMMARY             	non-ischaemic cardiomyopathy with diabetes (NICM-DM), and non-ischaemic
TR:TREATMENT_SUMMARY             	cardiomyopathy without diabetes (NICM-No DM).
TR:TREATMENT_PROTOCOL_FILENAME   	IHD-DM_paper_metabolomics_methods.pdf
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Refer to the uploaded methods file.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	IHD-DM_paper_metabolomics_methods.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	HPLC gradient: The HPLC gradient program begins with an initial condition of 5%
CH:CHROMATOGRAPHY_SUMMARY        	solvent A and 95% solvent B, with a flow rate of 0.25 mL/min, which is held for
CH:CHROMATOGRAPHY_SUMMARY        	0.5 minutes to establish system equilibration. The gradient then proceeds as
CH:CHROMATOGRAPHY_SUMMARY        	follows: at 6 minutes, the mobile phase composition shifts to 60% solvent A and
CH:CHROMATOGRAPHY_SUMMARY        	40% solvent B for 3minutes; at 10 minutes, it changes back to 5% solvent A and
CH:CHROMATOGRAPHY_SUMMARY        	95% solvent B; at 11 minutes, the flow rate increases to 0.4 mL/min while
CH:CHROMATOGRAPHY_SUMMARY        	maintaining a composition of 5% solvent A and 95% solvent B for a duration of
CH:CHROMATOGRAPHY_SUMMARY        	12.5 minutes; and at 24.5 minutes, the flow rate decreases back to 0.25 mL/min.
CH:CHROMATOGRAPHY_SUMMARY        	The final condition is maintained for 1 minutes to ensure stability before
CH:CHROMATOGRAPHY_SUMMARY        	subsequent analyses.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1260
CH:COLUMN_NAME                   	Waters Atlantis HILIC (150 x 2.1mm,3um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid; 10 mM ammonium Formate (pH ~2.5)
CH:SOLVENT_B                     	100% acetonitrile; 0.1% formic acid
CH:FLOW_GRADIENT                 	The HPLC gradient program begins with an initial condition of 5% solvent A and
CH:FLOW_GRADIENT                 	95% solvent B, with a flow rate of 0.25 mL/min, which is held for 0.5 minutes to
CH:FLOW_GRADIENT                 	establish system equilibration. The gradient then proceeds as follows: at 6
CH:FLOW_GRADIENT                 	minutes, the mobile phase composition shifts to 60% solvent A and 40% solvent B
CH:FLOW_GRADIENT                 	for 3minutes; at 10 minutes, it changes back to 5% solvent A and 95% solvent B;
CH:FLOW_GRADIENT                 	at 11 minutes, the flow rate increases to 0.4 mL/min while maintaining a
CH:FLOW_GRADIENT                 	composition of 5% solvent A and 95% solvent B for a duration of 12.5 minutes;
CH:FLOW_GRADIENT                 	and at 24.5 minutes, the flow rate decreases back to 0.25 mL/min.
CH:FLOW_RATE                     	0.250 – 0.400 mL/min
CH:COLUMN_TEMPERATURE            	40°C
CH:METHODS_FILENAME              	IHD-DM_paper_HPLC_settings.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	IHD-DM_paper_metabolomics_methods.pdf
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5500 QTrap
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The analysis software MultiQuant 3.0 (ABSciex) was used for MRM Q1/Q3 peak
MS:MS_COMMENTS                   	integration of the raw data files (Analyst software, v.1.6.2; ABSciex).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Relative abundance.
MS_METABOLITE_DATA_START
Samples	91	100	101	102	103	105	106	107	108	109	110	92	111	93	94	95	96	97	98	99	1	10	11	12	13	14	2	3	4	5	6	7	8	9	15	24	25	26	27	28	29	30	16	17	18	19	20	21	22	23	31	32	33	34	35	36	37	38	39	40	48	49	50	51	52	53	54	55	56	41	104	42	43	44	45	46	47
Factors	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M
1-Methylhistamine	22.60219866	22.77040885	22.69581097	22.96138005	22.78749477	22.85526989	22.88344594	22.92416854	22.97872944	22.85648835	22.8657185	22.80827563	22.94234292	22.74051031	22.74475294	22.8914673	22.70245952	22.7509206	22.56668512	22.69020958	22.79624421	22.77624341	22.86092916	22.34616148	22.8624071	22.86300611	22.92663403	22.79188482	22.6181821	22.87941479	22.88996989	22.92578942	22.79382491	22.9529043	22.87154289	22.85162205	22.71768604	22.74334788	22.77032109	22.71483289	22.75091101	22.86386232	22.83161806	23.09823687	22.69868169	22.80906584	22.75451078	22.70493808	22.99351771	22.71051581	22.79254952	22.85306631	23.01320268	22.99206497	22.98674814	22.77999777	22.86886901	22.99641671	22.79363587	22.78028208	22.68466759	22.81248526	22.98187974	22.68286919	22.79634533	22.96175748	22.76807384	23.10970313	22.73722493	22.88543888	22.73422608	22.9271548	22.85302998	22.88190963	22.95165337	22.73091427	22.97632391
2'-Deoxyadenosine	12.75316644	12.36801459	12.81302863	12.26085064	13.27290604	12.51363891	12.57900737	12.99147803	12.64426356	12.70114362	12.64810139	12.45690336	12.4649951	12.17081672	12.57635834	12.46286329	12.69042939	12.83151023	12.97309464	12.95160415	12.62395157	12.96899027	12.67329791	12.81256368	12.91772183	12.45179817	12.59463475	12.61628662	12.72180214	12.81948825	12.99411264	12.87578759	12.54130786	12.39405107	12.57482205	12.84540419	12.71789342	12.47308838	12.87200317	12.76225012	12.5502772	12.3353975	12.59119893	12.64550351	12.69355753	12.58403329	12.59067963	12.89012022	12.54979648	12.26543991	12.4892105	12.60959126	12.48251408	12.74685439	12.36275025	12.67801556	12.66112232	12.49466664	12.69415709	12.58825015	12.83766842	12.75258269	12.43592372	12.9350105	12.71946363	12.7201224	12.75379069	12.53171559	12.38051177	12.60709201	12.86231271	12.78238046	12.60548308	12.47317728	12.25434394	12.79894918	13.1837615
2'-Deoxycytidine	16.39374642	15.11874067	15.79967954	15.98074548	16.79641268	14.45870214	16.39185078	15.39932676	15.60131394	15.77194393	15.16439008	16.49195937	15.17215989	15.27982219	15.97609179	15.39072235	15.22583362	15.34261132	15.55409666	14.9723923	14.99445408	15.71509578	15.97515932	15.79494228	15.2241292	15.82231807	15.41918845	15.42343056	15.65318527	15.5677802	15.74330962	16.95432408	16.28520692	15.94837277	16.07055014	16.14189893	15.8110241	15.72923688	15.63732605	15.9716715	16.19196856	15.81051711	16.16440634	15.78758641	16.16527834	16.24638984	15.73850657	15.87707186	15.98190002	15.95770436	16.34155874	15.49626789	15.52673079	15.87013644	16.43905145	15.76962732	15.68740848	15.9068229	15.82568905	15.88493459	15.87826015	15.44825596	15.50863697	15.52467665	16.4288649	15.93354877	16.09280206	16.05708035	15.40664955	16.11280644	16.48926298	16.27579926	15.13178115	15.85057464	15.3350287	15.94181162	16.31254231
2-Methylbutyroylcarnitine	19.69499869	21.68145283	20.00918295	20.85871519	20.90709113	20.28633423	20.38921839	21.66503569	20.06073987	21.03909665	20.81638807	21.15257319	20.89355065	20.9747509	20.10581071	21.22459185	20.13900899	20.91150954	20.30687924	20.86912689	20.11810139	20.53986791	20.6005436	20.74522087	20.8349317	20.54990084	20.5890564	20.50391325	20.29394622	20.65945286	20.28641362	20.13703732	20.68464638	20.39350891	20.34065358	20.77805247	20.50770879	20.92155219	20.34432802	20.80782173	20.35340159	20.9230183	20.20164411	20.60019711	20.49779768	20.42624581	20.87037366	20.54271876	20.72846293	20.70846066	20.86962957	20.37807395	19.91137795	19.72045854	20.4579437	20.5685972	21.4704463	19.99456538	20.97240627	20.67358174	20.99499526	20.26283438	20.91960872	20.13354636	20.26774546	20.08606162	20.85108505	20.37844296	20.55608251	19.90362684	20.88043351	20.26455961	20.74120989	20.34044228	20.26832628	20.96307558	20.75378273
3-Aminoisobutanoic acid	17.40115891	17.46048509	17.43058671	17.32026782	17.36888156	17.33728293	17.58070145	17.34417368	17.1724553	17.61013942	17.62399942	17.51657914	17.4625758	17.51126619	17.42513896	17.56662156	17.43952377	17.34335808	17.41928749	17.3923542	17.45856938	17.67813289	17.41538457	17.38357288	17.5066899	17.5828365	17.61546252	17.29642904	17.36948881	17.59063529	17.43429678	17.49106946	17.31157953	17.57052534	17.41582676	17.46172349	17.63277627	17.42408944	17.46007199	17.52273086	17.47191098	17.47663978	17.4249432	17.33313763	17.47573513	17.45206544	17.41644815	17.56731099	17.38567373	17.36072992	17.61999588	17.47821575	17.4168834	17.57780986	17.33449903	17.48599229	17.60859627	17.46106147	17.52493622	17.48622231	17.34517002	17.53674762	17.37914196	17.39462747	17.36542725	17.49292784	17.3343485	17.43191807	17.29868758	17.60506673	17.23061863	17.32833116	17.41453864	17.65447729	17.54611412	17.32184934	17.50455682
3-Deazaadenosine	17.94200322	17.18279441	17.24059779	17.41268954	17.61364002	17.88396243	17.44751811	18.05048056	17.5204969	17.5758911	16.75895454	17.39620366	17.30726805	16.68089417	17.14222121	17.27842999	18.17054597	17.09585512	17.86542957	17.24700021	17.78983192	17.90849337	17.74487845	17.44968926	17.70195053	17.56027576	18.16056932	17.05104624	17.26917982	17.56469055	17.78777449	17.73476015	17.59664922	17.76674987	17.84619102	17.31642425	17.21187462	17.75180599	17.67288848	17.66355884	17.54276368	17.45335122	17.79199581	17.26383664	17.06328943	17.33342184	17.46126864	17.22220148	17.82437858	17.147101	17.61778489	17.35820756	17.41344966	17.25789798	17.25385353	17.4538656	18.03361524	17.66933357	17.01930848	17.81772192	18.12822271	17.62076448	17.63842307	17.84743402	16.70688479	17.16759553	17.48055548	17.7713489	17.13154284	17.22661604	18.08854652	17.36785044	17.30089289	17.57536472	17.92564552	17.51692122	17.65210057
3-Methyl-2-oxovaleric acid	16.23294039	16.70712127	17.51825931	17.15975146	16.74537209	16.77582335	16.84249038	16.74077677	17.46272674	16.83016493	17.4592451	16.52143992	17.57004083	17.17561435	17.07549959	16.58721442	16.28743435	17.1332561	16.38210794	17.79138645	16.99753114	16.69423077	15.84563163	16.42989949	17.14803651	16.66694508	16.68737725	16.84760908	16.08041567	16.83366191	16.59586194	16.75747663	16.68208413	16.41261063	16.57419602	17.45536167	16.89004158	16.53501525	16.45969388	17.11080446	16.08741509	16.95004189	16.92854706	16.67081923	17.20006698	16.49732885	17.11271126	16.97874694	17.10529306	16.27423892	16.96978188	17.61520349	17.00488201	17.30347474	17.09145137	16.72155816	17.07769427	17.32825756	17.59695921	17.05392693	16.7606384	17.13584006	17.00707061	16.39644297	16.87981101	16.18810178	16.53372055	16.67041567	17.01369562	16.82060371	16.70954249	16.91282618	16.99366053	16.92802215	16.94721704	17.03533563	17.5197592
5-Aminolevulinic acid	19.96829357	19.92106053	20.08134188	19.90453961	19.65688701	19.89750441	20.04479275	19.71447771	19.92201641	19.78909085	19.8931485	19.74572181	19.98067314	20.06653078	20.0019912	19.79009601	19.68770706	19.77990355	19.8120587	19.95140299	19.91074998	19.53826236	19.79941535	19.87559222	19.73705504	19.6802377	19.65819771	19.92206956	19.94920513	19.84478184	19.81565171	19.88319145	19.66496852	19.66655801	19.7250466	19.73529944	19.75318276	19.91678228	19.82680131	19.77937782	19.82760875	19.78829431	19.87122226	19.66361839	19.8223743	19.81392305	19.751598	19.89568179	19.61692364	19.77504036	19.73787477	19.9112954	20.09011837	19.68089644	19.81649392	19.57848209	19.54551482	19.85647971	19.60919745	19.72787873	19.81563912	19.75872335	19.80273076	19.84494444	20.25064894	19.76948866	19.80295291	19.64476091	20.0004841	19.77460376	19.8661632	19.93334757	19.79942267	19.82134469	19.88735994	19.86193891	19.65580231
5-Hydroxyindoleacetic acid	14.68644101	14.94001819	16.02649657	16.24989958	15.82942278	15.50601361	16.34808929	15.9409684	15.00564719	15.46265272	14.79266528	15.19248341	15.54064338	15.54526522	14.85173563	15.51745351	16.46161345	15.3771237	16.01979808	15.04010204	15.16016539	15.12934503	15.89943537	15.81536809	15.08368941	15.6345485	15.89960884	16.45344303	15.04976215	15.49314952	15.07115811	16.2575645	15.28663952	16.35369349	15.80507836	15.69727248	16.09924822	15.96526998	15.82657602	15.56440878	15.75964886	16.16044728	16.42149638	15.47280882	15.60496668	15.93913554	14.62043998	15.34673963	15.61301619	16.25095612	15.74862168	16.01633148	16.59916354	15.78170025	16.19172833	15.28349901	15.92898058	15.86595537	15.45771286	15.84871713	16.57158298	15.19812696	15.78757774	16.46371382	15.4557673	15.53344608	16.11757086	15.85828962	15.84686104	15.79027779	15.42990251	15.41192005	16.19909234	15.16416492	15.00904076	16.10835541	15.48477121
Acetoacetic acid	18.61715782	18.61731603	18.30344422	18.51153591	18.54474442	18.41699512	18.57836919	18.35597764	18.36474219	18.60216809	18.60180138	18.62168588	18.52400318	18.56825518	18.52283165	18.56671953	18.49657885	18.46181011	18.48832414	18.63872868	18.46021851	18.5882054	18.50930167	18.37385769	18.49720938	18.66569103	18.88727864	18.42044063	18.49541572	18.58018658	18.6010393	18.48998257	18.29215577	18.54827981	18.49321858	18.46702274	18.43623058	18.54598328	18.43912741	18.58655865	18.34440378	18.4599434	18.52991814	18.41695083	18.51186501	18.52036509	18.63941121	18.56203447	18.63500736	18.52889955	18.60085216	18.46628085	18.58001534	18.59258567	18.45572954	18.50912304	18.54316821	18.65711124	18.59073051	18.5690164	18.32448218	18.6841846	18.39492383	18.63278089	18.44213984	18.42515523	18.45678213	18.52806388	18.36817419	18.57358655	18.26186472	18.61044971	18.52229149	18.57100935	18.60621739	18.36486353	18.64123281
Acetylcarnitine	29.81296071	29.72246892	29.90904423	29.79885437	29.90735228	29.87655923	29.78440839	29.82582358	29.80612342	29.80213595	29.76128789	29.86366937	29.85009143	29.88650999	29.79548572	29.7953196	29.82423179	29.82698186	29.82241508	29.80124079	29.78569017	29.7324146	29.80460069	29.78981534	29.82297295	29.84913449	29.80752901	29.94327797	29.83116423	29.83863442	29.87719061	29.86505084	29.92064108	29.86341819	29.85462747	29.8633029	29.89114132	29.79140114	29.79947764	29.85962254	29.84955647	29.83028414	29.83943464	29.78703448	29.87019093	29.86737979	29.85630093	29.77924799	29.8171695	29.78294027	29.71444711	29.84067671	29.66035972	29.82212609	29.89111226	29.86345491	29.85151433	29.78666451	29.73821459	29.7999361	29.76486173	29.78504814	29.81632466	29.80693475	29.62214109	29.81421645	29.83773293	29.83297749	29.81054582	29.77582268	29.69059874	29.80827474	29.81720066	29.81744292	29.83618296	29.88964138	29.79573023
Acetylcholine	22.72808896	22.40471234	22.65899647	22.65944962	22.37937634	23.24543217	22.4351005	22.39625984	23.12464185	22.32254691	22.39989173	22.10559506	22.64602587	22.92730988	22.78032514	22.18044441	22.34687519	22.53384971	22.6046402	22.31107519	22.75131684	22.72772044	22.99798276	22.9073851	23.27538708	23.0739895	22.91445074	23.16656504	22.93517744	22.76643389	22.88852736	23.11477339	22.87356149	22.38514663	22.99228872	22.73435241	22.59843125	22.44932379	21.97967952	22.69910283	22.67511645	22.85829588	22.64334461	23.82717092	22.51511405	22.31542396	22.50346904	23.05886683	22.97664987	23.11295731	22.7717161	22.44785633	23.03040057	22.14372548	22.75196181	22.86825723	22.6047009	22.40065028	22.82163326	22.21499215	22.27147265	22.48875252	22.51876357	22.71812099	22.59169338	22.8176056	23.04066139	22.68483666	23.31483414	22.5233729	23.03147689	22.3240322	22.77311509	22.59485561	22.72963091	22.30993673	22.2326353
Adenosine	30.78568183	30.50559078	29.83215573	30.16647285	30.58521443	29.80221848	30.41831898	29.20842639	31.02645332	30.85914381	30.54487169	30.10238238	30.39114909	30.68672653	30.03917609	30.14145847	28.55604879	29.54878254	30.18364064	30.07661026	30.32649412	30.29674182	30.32476502	30.36252871	30.23652348	30.2093305	29.62996989	30.32647889	30.46267194	29.7951222	29.39715361	30.10168874	30.20652488	29.75849604	30.2641977	30.3888383	30.30913295	29.81946459	30.18471124	30.05824002	30.00022405	30.0982386	30.65433631	30.28381849	29.85326683	30.18863979	30.43422448	30.43399688	30.11597135	30.19675673	30.36627593	30.71895665	27.29318544	30.59867461	30.53175505	30.09856313	30.1425728	30.03207888	30.25837509	30.22297357	30.41972168	30.13734803	30.18053159	30.22027362	30.42997352	30.24125775	30.29068868	30.25790412	30.3330833	30.05211798	31.00116341	30.147237	29.9745326	30.15830225	30.12791103	30.07264659	30.54037954
Alanine	25.96468208	26.0643937	26.09413869	25.63967991	26.09818603	25.7616797	26.08376518	26.23281516	26.09311648	25.6800537	26.05840752	26.10160883	26.14253828	25.69445649	25.92709234	25.76601056	25.9041059	25.65986642	26.54815784	25.74185956	25.69535135	25.9910872	25.35341026	25.34811152	25.41466356	24.94999986	24.83694121	25.46301895	25.30029016	25.19184253	25.05462715	25.64837296	25.59440502	25.84225758	24.96873486	25.18934859	25.23087728	25.83941251	25.69536757	25.2658093	25.6149979	25.89985932	25.62348879	25.57370263	25.72277399	25.39066728	25.66527204	25.60248211	25.18231981	25.7034709	25.45928339	25.47775148	24.20393101	25.71083659	25.10093401	25.52195175	25.31660461	25.55458735	25.47478943	25.26739099	25.40182516	25.66232881	26.05319533	25.49649509	25.6274641	25.45300953	25.37958832	25.52673754	25.70620627	25.18478488	25.94049334	25.96289594	25.17381198	25.51980565	25.36552225	25.56364928	25.38200491
Aminoadipic acid	15.73161911	15.89739355	16.59036219	15.91104185	15.32071267	15.27591052	16.00054178	16.08920673	16.25577732	16.08021424	15.9521581	15.99633807	16.10628517	15.89545569	15.67567128	16.03714316	15.79660569	15.86624203	16.12828228	16.07411694	15.91856593	15.88304757	16.17264822	16.02583919	15.90803781	15.87999621	15.93218551	16.03588287	16.32504211	15.85836926	16.04082488	15.76258523	16.02260775	16.11205281	15.82581162	16.21733044	15.85947634	15.99663677	16.00490799	15.62071372	16.27622465	15.67241649	15.82009071	15.72018395	15.55614325	15.92412202	16.03261163	16.0136541	15.58183359	16.13370613	16.13285584	16.23164351	15.98219361	16.27241831	15.7963065	15.85389069	15.82828278	15.78509096	15.96195371	15.95534199	15.68701924	15.90587595	15.89126448	16.1285394	15.79080027	16.40035039	16.07725679	15.62102904	15.80135281	15.79818147	16.08735989	15.96161825	15.72684687	15.56825523	15.83714826	15.74064137	15.41140757
Anandamide	13.88400013	13.88319875	13.72347529	13.7931134	13.09101938	13.99645847	13.69203182	12.78807759	13.33933864	12.72231605	12.99365447	13.51370486	14.15719859	13.84241397	13.35537473	12.7356678	13.34745119	12.98482681	14.09381863	14.03933886	13.44567259	14.07691767	13.36350869	13.55935363	13.18263168	13.66603778	14.23701936	13.12755015	13.10044138	13.52402967	13.61672964	13.59499656	12.87767965	13.25051651	12.93037457	13.77534575	13.19781079	14.67849903	12.73584834	13.37404804	12.88649912	13.79551963	14.06539734	13.99464827	13.08004493	13.21510902	13.21500659	13.97080643	13.59494654	13.29631146	14.05788963	13.04329005	13.33202318	13.38004726	13.45675457	13.83935636	13.922343	13.78937776	13.38360847	14.10996336	13.15006454	12.52828938	13.41004455	14.07209717	13.02404296	13.46348531	14.26978152	13.0124375	13.89826119	14.02030743	14.68160233	13.86984602	12.99782903	13.8396629	14.02557532	13.09469081	12.35225586
Anserine	20.38118385	18.77946996	20.78152405	19.79717399	20.5219976	17.62762063	20.98368862	19.65671583	20.06859827	21.8520936	19.94032473	20.14391102	20.27843593	20.5056019	21.00597586	20.88779086	20.94332835	20.42270989	21.24711588	22.4454396	18.44270659	19.56582171	19.72384169	19.49820444	19.96339813	18.20749552	18.73859506	20.06159543	19.27934918	20.17902937	21.76313347	20.82714508	20.7871012	20.60203343	20.25815689	20.14901056	19.94173513	20.03213251	18.81260404	19.86468471	22.06054602	19.99762628	20.62479588	20.32696323	19.55485599	19.4047869	19.73235841	19.16669076	19.90128349	20.19010054	19.33380705	19.82847611	21.63332854	19.75387999	19.28793271	21.3899191	20.40819266	19.27353415	18.99271464	20.397247	20.12775118	19.92474217	17.58203837	19.59835891	20.23891654	20.23492661	20.40479842	19.0796137	20.87787635	20.51714871	20.57439423	20.16187741	19.77452985	18.74533341	20.77295306	19.79095827	18.77501713
Arachidonic acid	16.282877	15.48878532	15.32851194	15.69381284	13.63007134	15.75388448	15.93823438	15.42686048	15.75528038	15.4051649	15.54147833	15.36366431	15.63783772	15.49122994	15.08185385	15.22285941	15.55743487	15.39003497	16.09518701	15.99078607	15.89254359	15.12214633	15.93086858	15.64473039	15.11680896	15.51911854	16.15156346	14.99788107	15.77206034	15.05367582	14.88555149	15.15287065	15.54786815	15.22412647	15.01742145	14.69285126	15.14934924	15.32977347	14.72911684	15.26547716	15.509622	15.78605802	15.31526876	15.5911161	15.04465476	15.64292944	15.54635984	15.94670494	16.12935721	15.6051716	15.86483613	15.57518499	14.99082916	15.3776913	15.42409062	15.16718998	15.50517899	15.51560093	15.54158315	15.50855059	15.44360771	15.80077534	16.2465881	15.5952503	15.8346964	14.60926397	15.63331115	15.47229718	17.15496446	15.73552546	15.8877865	16.05627426	14.6188404	15.39934866	15.90197598	15.05618709	15.11104037
Arginine	26.71981485	26.90155832	26.99292893	26.88813032	27.53507668	27.00208059	27.15305316	27.31856962	26.92000756	26.91755314	27.22730186	27.36744647	27.37361999	27.32238896	26.94857216	26.89829667	26.99107398	26.69621074	26.46277954	27.14591144	27.8714612	26.84227058	27.84236497	27.9517761	27.78069398	27.27207986	27.4522922	27.84591351	27.22805934	27.21190574	27.64772657	27.29312326	26.73460632	26.77052764	27.32944475	27.36472112	26.83336841	27.28720674	26.99280822	26.50467065	26.50689818	26.46694626	27.67128521	27.34525738	26.97123834	26.66814521	26.79376962	28.31912463	23.73531038	27.8189152	24.84911399	25.07321404	27.52140297	28.12389966	27.44897783	27.0262579	26.80841808	26.75740733	26.60688928	26.02361876	27.62192956	26.88269763	27.20255236	26.42913657	26.22568107	27.13766869	26.69420321	26.32515365	26.38373514	24.09639676	26.68998153	24.36592847	27.13383272	27.50575673	27.43212433	27.29436782	27.15817895
Asparagine	20.17250369	20.14672433	20.2650441	20.26701668	20.53425949	20.28640421	20.19346436	20.22557779	20.42992392	20.31173856	20.54538365	19.97117842	20.22837636	20.53114153	20.03931067	20.66800399	20.35353628	20.48066244	19.87214948	20.05819526	20.45557317	20.13804007	20.57791552	20.09945105	20.11824312	20.20677096	20.25591519	20.2050883	20.44136913	20.41199818	20.68752826	20.56284751	20.31779688	20.65561444	20.31766673	20.08255885	20.13827276	20.63382713	20.66870647	20.41860665	20.73082545	20.32788571	20.30489622	20.14722607	20.23878682	20.37352377	20.0728891	20.06687004	20.29071042	20.04185921	20.29906938	20.73751687	20.65040531	20.47752693	20.18499567	20.42058823	20.60617605	20.15857887	19.97646182	20.53261228	20.52012829	20.93318864	20.59032803	20.29216325	20.64061365	20.32179146	20.29439342	20.67000724	20.50580692	20.71423368	20.75763198	20.2476394	20.28137605	20.37897441	20.41983681	20.66618862	20.21648403
Aspartic acid	20.11184264	21.55001894	19.8385346	21.2097364	21.43069568	19.76690271	21.29753425	20.46479501	19.23245586	21.0436477	21.59955785	22.08479814	19.69708618	20.98672136	20.41800128	21.71260619	20.38623849	20.2180297	20.42690478	20.75395101	20.54306182	21.35336417	21.25939206	19.92898384	20.47451295	20.78269429	21.16249609	19.69852955	20.93529974	21.59357604	20.89001179	21.14887256	20.12140935	21.40393447	20.44557095	19.84991614	19.76579582	20.53741807	21.19046544	20.24913101	20.54500209	21.11191346	20.18053906	20.09832089	20.57132955	20.40446766	20.31448639	19.96600817	21.15118928	21.07171425	19.97549343	20.08455556	20.65655467	20.6896331	19.55640303	20.96672441	20.69805875	20.24428944	20.32362813	20.3477041	20.62346573	21.06201601	20.96089516	20.57733993	18.92812071	20.12983093	21.03372881	20.94254109	19.56702173	20.75351052	20.73490168	20.02208299	20.4632349	20.62585746	20.42113098	20.24989706	19.90584595
Asymmetric dimethylarginine	25.03998419	25.07184422	24.97378101	24.77290859	24.82224683	25.28611907	24.67442947	24.75457105	24.90421299	25.18579208	25.32144968	24.50819121	25.318937	24.78396339	25.13125554	25.06359365	24.89332695	24.92237407	24.85021794	25.18572816	25.23256748	25.08608296	24.80910244	24.93275961	25.00147032	24.89983983	24.88830724	25.0753288	24.60574174	24.47985614	24.74361361	24.81686198	24.88528941	24.80117576	25.04993431	24.94392768	24.79990517	24.92911806	25.05473818	24.97764069	24.86703068	24.81153239	25.04015683	25.08304921	24.96220701	25.01003559	25.20211433	24.97562464	24.67353444	25.00213198	25.23347559	24.98538601	25.54186683	25.2359202	25.10911464	24.95948243	24.8271125	25.24572238	24.86221141	24.89446702	24.50180252	24.88907034	24.89048104	24.87180352	25.50884649	24.97950093	25.05313747	24.9110589	25.02156008	25.04941416	24.94497805	24.56181795	24.77524387	25.25074668	24.87115439	24.80595723	25.11604773
beta-Alanine	17.30754825	18.06378998	17.25330063	17.66469363	18.21822373	17.33536624	17.53397909	17.46730049	17.33758918	17.76147694	17.90507406	17.38924932	17.26468468	18.874937	18.35828975	17.66829065	17.85845699	17.611679	17.57596569	17.74505845	17.61760917	17.97033426	17.32294831	17.62463503	18.20390891	17.95956353	17.63688919	18.26094504	17.77191648	17.81435658	17.72917411	17.76600667	17.66673686	17.7928339	18.06375539	17.66100633	17.74749562	17.58508627	17.96203836	18.1500293	17.72657137	17.78597466	17.81925559	17.48983009	17.93944464	17.59791779	17.93229022	17.55260776	17.50382675	19.25665541	17.85487902	17.30047449	17.41732156	17.9064725	17.73733405	17.6481717	18.04008002	17.76915025	18.15067866	17.98980165	18.28001979	18.34697326	18.14823702	18.10456237	17.66830069	18.27841095	17.47869001	17.7418431	17.42168648	17.70545861	17.51282436	17.24528644	18.36492948	18.06357378	18.12580813	18.30642704	18.33339027
Betaine	28.54083274	28.69589153	28.42150998	28.74284955	27.99689832	29.09852621	28.08900019	28.1922916	28.56980783	28.4355361	28.31663466	28.33388948	27.86993364	27.68003366	28.52845972	28.21304583	28.70204778	28.54149652	28.72648897	28.56023444	28.85867803	28.52093094	28.72977651	28.92741371	28.95109299	28.8408579	28.78517813	28.64788406	28.36423774	28.61822988	28.58697503	28.86497727	29.2088891	28.7633507	29.20411078	29.03207998	28.81742384	28.40113303	28.70473096	28.79448466	28.70389296	28.91363369	28.78540326	28.84836007	28.72837221	28.87373872	28.85368051	28.86143083	28.92554902	29.17668775	28.83694355	28.98432455	29.12219796	28.6366995	28.75138814	29.17436952	28.74681858	29.02507415	28.616888	28.8405242	28.40886618	28.69470157	28.71552305	28.68568852	28.17852712	29.21431073	28.95945576	28.77939321	28.97280847	28.61846929	28.97683356	28.72657302	28.71789295	28.53400324	28.59366966	28.48644303	28.25528801
Butyrylcarnitine	28.06401453	27.80394663	28.70356052	27.9357523	28.58826999	28.48736424	28.18415471	28.30293395	28.83500063	28.08564811	28.41090247	28.32922541	29.00422327	28.271211	28.18331367	28.17633682	28.69093298	28.17864367	28.36904793	28.60544405	28.11246575	28.06971226	27.94901184	28.44220516	28.17747862	28.28640959	27.90847196	28.42600925	27.95855245	28.29569785	28.04508552	28.14029842	28.52547096	28.45349581	28.08543247	28.04346238	28.27685632	28.40423152	27.76925556	28.03816129	28.21092394	28.50741287	28.18218687	28.6426688	28.49399808	28.30974426	28.1579061	28.17079168	28.36062511	28.31239784	28.27347505	28.1330463	25.63967088	28.12612281	28.42734621	28.24268384	27.98206376	28.20615146	28.05722541	28.12343709	27.86502294	27.56780471	28.4407528	28.20177929	28.32957763	28.32630576	28.22754021	28.0498007	28.55570562	28.14797852	28.44462444	28.30451272	28.37745196	27.9671246	28.06520653	28.46477878	27.47596374
Carnitine	29.20066213	29.25613207	29.09145662	29.1906047	29.18720128	29.12528422	29.30996448	29.11219923	29.028402	29.2958979	29.31484341	29.31617263	29.24517678	29.25494642	29.18656214	29.26785948	29.23896254	29.16189572	29.14283939	29.29621221	29.17952297	29.37257582	29.17114124	29.0849504	29.19016954	29.32124691	29.42590875	29.19003051	29.25018048	29.26063547	29.28648136	29.18291162	29.08127205	29.28944646	29.26897063	29.15045914	29.18271648	29.21567993	29.25854113	29.27909881	29.14583548	29.18553491	29.23586957	29.11714092	29.28401124	29.19249605	29.28447961	29.24753258	29.26076556	29.18973519	29.26085064	29.2584712	29.28885963	29.28494905	29.12393561	29.2323132	29.25097068	29.28510699	29.29899901	29.23232884	29.03399039	29.3428283	29.1204579	29.29033753	29.12926921	29.15632679	29.1614256	29.21968009	29.06857204	29.34538023	29.03681043	29.23527653	29.25454195	29.25944691	29.30234534	29.16457801	29.32758841
Carnosine	24.139214	23.12898177	24.23101975	23.47470761	24.28033159	24.75189882	24.25213652	24.21191247	23.78991114	25.09505437	23.81268251	23.82685579	24.9745919	23.78034622	24.06012954	24.26883805	24.11919116	23.68596606	23.84903376	24.58926189	23.28358038	24.79512041	24.14217896	24.0333385	25.15877442	24.69183722	24.94639911	24.72050624	23.1718816	25.17399816	25.44625695	25.02934813	24.92713606	24.04695389	25.88828499	24.17046042	24.35916684	24.7561428	23.36870703	24.66364567	23.7210607	25.32293142	25.43992337	26.05224995	24.53821521	23.76389753	25.24957087	24.55712225	24.36898635	23.89499284	25.02039467	25.19783536	21.51921056	21.97554934	24.6431568	25.4961929	25.79959543	24.94530829	23.74044917	24.53123873	23.34358569	25.17855295	24.81398022	23.05018214	23.78320319	24.90327015	25.25150285	25.20566027	23.79020024	23.31419861	25.01546252	23.30812354	24.75726824	24.24675167	24.72010108	24.97112172	23.51307792
Choline	20.98933125	21.63798952	20.56363702	20.68779705	20.33264767	21.85393935	20.52430634	20.22471878	21.48680585	20.59244618	21.928935	21.39521737	21.11551747	21.35341254	21.24351921	21.62785909	21.19424242	20.98055529	20.50471665	21.74981068	21.43581379	20.67644029	21.02884081	20.38030588	21.0561731	21.31840396	21.38447675	21.84940236	20.91506474	20.76508971	20.91659618	20.69450721	21.30838566	21.10103656	20.56852059	21.50507103	21.3026385	20.69596299	21.41469854	21.05993576	21.0142696	21.54044492	20.64670004	21.21438683	20.91249483	21.09926026	20.93375863	21.3683293	21.34386994	21.2721463	21.72255964	21.02821653	20.3165043	21.47122638	20.86593365	21.38091911	20.58437641	21.6371863	20.25908022	20.52712253	13.89703564	20.4606209	20.97127461	20.64599206	21.39646567	20.83416793	20.77330117	20.51809563	21.52150776	21.42973409	20.66465212	22.04852522	21.25018182	20.93637727	20.93905109	20.86561247	20.58175192
Citrulline	18.75309568	20.2550099	17.37044908	18.26876744	18.15496686	19.07407899	18.318843	20.03163837	19.10350101	18.33561207	18.16021422	19.80179407	18.58893209	17.40297894	18.96544946	18.87393719	19.16016535	19.30827494	19.8052092	16.91312121	17.35641016	19.22978449	18.87876103	18.52764778	20.11168224	18.85881821	18.3733207	19.04061458	20.06407382	19.27465377	19.83846567	18.95339243	19.6094028	19.89728365	19.48537305	17.99926478	19.47353004	19.68074253	19.61328304	18.87702097	19.03461882	18.62400544	18.35535889	19.07412156	19.18577912	19.07912571	18.58140818	19.14779278	19.54017655	18.55556778	19.20433883	19.43699062	18.55665591	17.48647945	18.54557733	18.58415513	18.52544023	17.41011964	19.51828121	18.53330503	18.2605274	18.27680696	18.90089118	18.33950375	18.79559126	19.10494172	18.54178204	18.70773046	18.68286263	19.73689098	18.5982972	18.51325074	18.92543245	18.61511331	18.30428534	19.20497192	18.47661584
Colchicine	15.3964757	15.20408224	15.24229695	15.67647841	15.33123098	15.82064205	15.59526864	15.18235544	15.86743279	15.57097274	15.65376695	15.51984077	15.46868412	15.45810095	15.06407116	15.5124729	15.40054464	15.5146625	15.28348323	15.201384	15.86426609	15.76869719	15.53774999	15.57910098	15.4603459	15.64304804	15.6407012	15.58295337	15.51720436	15.45501961	15.37370219	15.53759414	15.45967769	15.37985379	15.50579926	15.72376773	15.57182008	15.5187502	15.6665088	15.49166786	15.59504136	15.49019478	15.40287693	15.60632981	15.7087541	15.63458289	15.58497378	15.55301779	15.54279588	15.37524413	15.42362178	15.07563252	15.56976786	15.77343974	15.56248747	15.56128382	15.61585235	15.62428615	15.8002148	15.74754246	15.61911116	15.49050018	15.66301784	15.65524337	15.76941617	15.12716914	15.02299147	14.89721344	15.46696211	15.24861056	15.49483552	15.72269853	15.6064458	15.53779685	15.09238914	15.32040742	15.6987038
Cotinine	18.07355825	18.2975541	18.14079649	17.90321738	17.69760047	18.09659028	18.08128413	17.99018118	17.85785147	17.69285932	17.88250147	18.10276408	18.11117592	18.18219588	18.07264228	18.1115322	17.95545212	18.09376189	18.09785895	18.11310215	17.84211917	17.78839655	18.15775707	18.15405763	17.86161686	18.04921157	18.06582512	18.04647232	18.23811216	17.95682575	18.08579546	17.99033122	17.91592325	17.7055394	17.95569397	18.00509152	18.04371513	18.16142266	17.89403933	18.10243901	17.76556418	18.04586354	18.08527809	17.89170328	18.00951222	18.00497949	17.73557028	18.20463264	18.02579267	18.18353392	18.26741359	18.20735884	18.33095378	17.78877348	18.04489753	17.69786481	18.16917119	18.17557789	18.24783725	18.03824805	18.11741788	17.91152767	18.24502786	18.22373839	18.2593213	17.91284643	17.90452496	18.1701978	18.23106834	18.32132575	18.02506524	18.17165496	17.88431824	18.08938512	17.84282296	18.16903101	18.17830636
Creatine	24.08140916	24.22776812	24.12882508	24.28964308	24.26621774	24.25672479	24.09226522	24.18825884	24.19362806	24.23545559	24.21658183	24.13393939	24.1588618	24.1768719	24.17356811	24.09466191	24.16393239	24.17241928	24.21518649	24.18861374	24.19452111	24.17598103	24.09666681	24.1827093	24.24057465	24.22778879	24.3087367	24.14270359	24.10815165	24.11352643	24.0586899	24.09497172	24.12425156	24.25052013	24.11464651	24.1061662	24.19735603	24.1390979	24.11684365	24.16386676	24.19418765	24.19913508	24.22062146	24.13029055	24.23693176	24.20192203	24.29218039	24.25332757	24.21243004	24.09400206	24.21040362	24.16187177	23.95940824	24.23240981	24.14108503	24.2074121	24.13031709	24.13939579	24.24908608	24.1996964	24.10253826	24.15870004	24.09668728	24.176903	24.06989988	24.11929083	24.27543808	24.14025214	24.22511571	24.2383367	24.08288389	24.18284562	24.18626603	24.23589924	24.30536728	24.13974389	24.1031797
Cyclic AMP	17.427524	17.39743976	17.41643899	16.4861753	16.31579186	17.01891945	16.74505272	17.64077146	18.05747036	17.01243185	16.51365797	16.643113	17.34974411	17.10320513	17.32972788	17.23490745	17.01017711	18.01123601	17.36416604	16.94403859	16.54163907	16.72623124	16.01386615	17.01218985	16.81108919	16.81512376	16.62247235	16.79318138	16.88876264	16.41737362	16.58432959	16.86050341	16.51434714	16.57711183	16.76654774	16.71608185	17.01774179	17.19331454	16.77071248	16.7423959	17.01481728	16.27828763	16.83101661	16.66816831	16.40912836	16.83299211	16.73217858	16.77712571	16.5511629	17.24829622	17.01738959	17.49094649	15.81865816	16.85640479	16.80835249	16.25796519	16.86244581	16.38084472	17.04497522	17.17878413	16.51039146	17.42916791	16.77807584	16.80481605	16.6275442	17.08716849	17.35992193	16.8825424	16.97284953	16.11919264	16.594079	16.47006342	16.43306657	16.83800156	16.37497444	16.80831151	16.36058195
Cystamine	19.51265399	18.15755284	19.18254697	19.29501894	18.8411731	20.79728772	19.8552932	19.96030511	16.70648515	19.14350828	17.79172799	19.8631633	18.24360443	17.49034539	19.19660558	17.49294294	18.47985798	20.23426872	19.99940301	19.69516327	20.57769618	20.97102624	19.86211984	19.57588741	19.83125475	19.14732804	20.26427972	20.18309481	19.9613817	19.76716407	21.26486526	20.30282675	20.84134263	20.28761556	19.04774038	21.05805391	20.32604851	19.65652627	19.97933665	19.32005321	21.06644669	21.27624882	20.52259684	20.13884492	19.91229709	20.31498879	19.71242213	19.98865196	19.9239863	18.90337781	19.16798776	18.83300936	18.67079043	19.97344152	20.32583531	20.39318327	20.5490215	21.33438073	20.59118141	20.14648644	20.92158373	18.87325469	20.86710192	20.28652788	18.84079442	20.09499643	20.03340986	20.27787164	19.76805821	19.40933819	19.87578283	22.93926131	20.22139957	20.17041351	19.84321444	20.40398799	20.36377896
Cysteamine	15.00301611	15.0982942	14.06740554	14.97650565	15.94218716	14.72112887	15.18033199	15.9536859	14.94749193	14.54186747	15.63900861	14.35229525	14.5902661	15.36863707	14.72417946	14.94797062	15.97781838	15.19148857	15.08885349	16.09906511	14.60229132	13.92985118	15.62367837	15.39698496	15.50686993	15.75714697	14.64453058	14.20206165	15.86290234	14.21166392	14.40264251	14.27390277	14.79433035	15.52240627	15.79798459	14.39679112	13.99036429	16.09988924	14.83150934	15.53575633	14.86679656	15.87305626	14.79048234	13.93606058	14.07601768	14.71062172	14.3040108	14.56087425	15.30307981	14.88212714	15.06255836	15.71584929	13.31356759	15.00442031	14.72073857	15.12832015	15.3647664	15.64952786	13.50446238	16.10876294	15.06260328	15.15211469	15.67587555	14.35808585	18.25832305	15.05398271	15.31362526	16.50655183	15.23765102	16.18812956	15.37998155	14.33385837	14.89246071	15.67229369	14.86560765	16.04709362	16.71728652
Cytidine	23.78965646	23.3047037	23.74876537	23.71677501	23.43105654	23.86010586	23.60374313	24.11169371	23.78104254	23.81127572	23.09825228	23.64487213	23.54134224	22.72351058	23.01387966	23.23569745	23.97685063	23.07516984	24.32103123	23.19549569	23.95599048	23.83336464	23.98207388	23.69671119	23.41090075	23.44758106	24.50876165	23.07148503	23.49385014	23.65369347	23.68031473	23.79902328	23.54391109	23.68505599	23.83415403	23.5712569	23.08687517	23.88066846	24.0870348	24.05494811	23.88314507	23.93645218	24.06717963	23.75228709	23.13188632	23.74866431	23.60988722	23.51765219	23.88937307	23.19967041	23.77358414	24.16879213	23.4374959	23.30946913	23.57622422	24.07860677	24.41249109	23.78360034	23.92043733	24.16773914	24.43238458	24.2223352	24.48610567	24.06354571	22.66299712	23.44193814	24.0826371	24.01122503	23.52078588	23.91878648	24.41931932	23.32833783	23.18833688	23.55741114	24.06583225	23.70789021	23.77122101
Cytosine	23.11916374	22.67063417	23.14362606	23.01263761	22.81995472	23.23017243	22.96933633	23.5534189	23.13344556	23.12961889	22.56141624	23.04905008	22.99515735	22.05349413	22.41967368	22.56222106	23.38080728	22.38227609	23.73190128	22.68973681	23.32020516	23.15528988	23.28742826	23.04749049	22.79130018	22.77850415	23.84263471	22.36841482	22.873915	22.9969494	22.98977147	23.10984853	22.88878896	22.99964084	23.22097637	23.0495676	22.5742533	23.21549669	23.3288789	23.39892624	23.22307711	23.24420694	23.40088439	23.13248815	22.45094567	23.12016808	23.02798684	22.89930274	23.16678392	22.59295551	23.22911176	23.52321675	22.67232983	22.6023908	22.81869819	23.44516604	23.74879512	23.17007119	23.26165643	23.47805574	23.6085537	23.61239084	23.76764315	23.41435312	22.04285544	22.83803761	23.39465586	23.2239848	22.76277474	23.24344651	23.6989988	22.73656568	22.45226437	22.95450628	23.3772975	23.0750387	23.04854607
Dimethylguanidino valeric acid	15.92766169	15.53487232	14.98108758	15.73699834	15.58758509	15.7176697	15.76947258	16.91068297	23.01947171	15.82070431	16.43134482	21.92981867	15.08271678	15.38970669	15.56051192	15.42020432	15.92263198	16.02388878	15.19627436	15.92641507	16.31692521	16.80279366	17.06817866	17.82607397	16.20414192	15.13169551	16.74802956	15.64425584	17.39058751	16.33019403	16.50497198	16.31290329	16.215374	16.80108251	16.82947713	15.99126474	15.79975164	16.05497385	15.87526388	16.68358203	15.63857356	16.04637907	16.69438915	16.17639895	16.34093131	16.6605567	16.73461887	16.86458102	16.05178491	14.89022681	16.15818793	15.76559457	13.07785898	15.79224546	15.21209979	16.38324917	16.17597807	16.6062898	15.81513877	16.22411643	16.0327579	15.67852968	15.85098827	15.40413539	15.14590006	15.9755252	16.2942437	16.71543881	15.86717952	15.60048878	15.67329777	16.18574265	14.99588931	15.29951381	16.53734715	15.98554792	15.65442832
Gamma-Aminobutyric acid	16.64483152	16.68865387	16.55380666	16.75375592	16.71925876	16.40453809	16.80305052	16.64908579	16.34988171	16.68575551	16.59444022	16.64400774	16.65042466	16.73028071	16.72255211	16.51124848	16.88450052	16.47377275	16.6281153	16.74952229	16.60575872	16.7587833	16.63407569	16.45972031	16.68017022	16.5013412	16.85312691	16.55971766	16.54495118	16.74882459	16.68022142	16.53207394	16.35248945	16.64911743	16.75630939	16.45934843	16.66489539	16.4994619	16.64946009	16.69291031	16.61596157	16.67649915	16.78896187	16.4873742	16.64921302	16.63958797	16.49532416	16.63417741	16.7651609	16.49463496	16.5746241	16.47083148	16.61683265	16.60574377	16.51187271	16.62039404	16.73286714	16.72176619	16.60758505	16.52526692	16.53837361	16.84447096	16.5367375	16.62831459	16.51575184	16.5081978	16.60905133	16.58750446	16.41975325	16.74560102	16.50556593	16.56186918	16.4881974	16.49193076	16.52354962	16.62645873	16.59661635
Glutamic acid	28.04190822	28.13432973	27.76502054	28.11851537	28.27654564	27.435812	27.7015982	28.16047453	28.23574143	28.34173038	27.62616698	28.18649244	28.04418285	27.79034347	28.12088147	27.82062376	28.12485722	27.97437427	28.15618468	28.15530448	27.94616312	28.23955006	28.09232152	27.86969068	28.06147673	27.83363773	28.1991796	26.37960372	27.91728174	28.03583737	27.99523395	28.05254428	27.72113587	28.03114699	28.16083399	27.71050659	27.85518806	27.80653221	27.99942238	28.20419293	27.57979064	28.0832569	28.06288107	28.10465159	28.05788769	28.23587933	28.04537543	27.93544104	28.33009124	28.09206813	27.9069927	27.51163957	28.28380389	27.99311633	27.91725571	27.85922397	28.3301994	27.95035833	27.90063994	27.98171048	28.67826092	28.277449	28.21474219	27.81864222	27.55390249	28.06040688	28.05804173	28.07473871	27.80346086	28.36013002	28.53896545	28.20909183	28.11038417	27.91093287	28.32133955	28.09542672	27.63833512
Glutamine	20.26739798	20.36209928	20.55371423	20.49470749	20.20955997	20.80404027	20.36366857	20.34179919	20.68784352	20.36582508	20.46599182	20.33888313	20.47153856	20.5276856	20.40085766	20.44771355	20.44692814	20.59280897	20.25724374	20.32205345	20.63411369	20.27307256	20.40976626	20.57158337	20.27161705	20.55094317	20.32551771	20.74152252	20.42985089	20.23462168	20.1973228	20.25075357	20.55117998	20.42135404	20.37108095	20.53502176	20.49087681	20.24302312	20.50685735	20.35527713	20.52377289	20.48342652	20.48036949	20.47806804	20.53928644	20.60416376	20.66590603	20.41693229	20.38213963	20.54930728	20.59623298	20.45979255	20.57389511	20.43259359	20.64574564	20.42710204	20.31931075	20.73799953	20.45768511	20.61378977	20.2338729	20.52874579	20.65735096	20.49306244	21.01346737	20.5546378	20.23924166	20.63397825	20.59180087	20.43505314	20.13432166	20.62825437	20.59360641	20.63300526	20.40334352	20.48286905	20.32750043
Glycine	16.56067242	16.17105592	16.97924367	15.94149723	15.4076352	15.4178916	16.01490455	15.68543438	15.60967447	15.48083612	15.9587852	15.69229314	16.43897016	15.71839439	16.52962792	16.33703607	16.09889958	16.17836803	16.56586716	15.95338009	15.51592627	15.67558085	15.18274336	15.61112666	15.47745102	15.6769243	15.37862483	15.69263597	15.66271172	15.80408492	16.08623872	15.77555208	15.71624224	15.52159088	15.93399791	15.7903393	15.74707293	15.72791891	16.17335555	15.48749803	15.72961682	15.56621541	15.77340518	15.49016034	15.9696751	15.55090933	15.40152823	15.75540326	15.51468075	16.4731682	15.71257159	15.6848946	16.91815325	15.77323646	15.73724761	15.73188385	15.31845536	15.39640443	15.47426359	15.30089264	15.60241863	15.43431466	15.81702432	15.65358839	15.82455991	16.17177694	16.06910793	15.75510941	15.76717703	15.49971582	15.90366839	15.54017044	15.87687478	15.53104836	15.9825654	15.45089106	14.6825165
Histamine	21.74866259	21.3521852	21.39158805	21.31090074	21.67724976	22.04852048	21.56451023	21.81212027	21.0406816	21.36486383	21.53548269	20.67204365	20.72113361	21.44871052	21.4852228	21.25791631	21.9308435	22.02799413	21.90614484	21.7104339	21.48860364	21.69218754	21.64930814	21.88612796	22.03822754	21.73319257	21.89482246	21.21524604	22.05665065	22.04326055	21.44960422	21.45699997	21.57236246	22.08546936	21.44316884	21.71271652	21.86117799	21.64361048	21.47424804	21.55959915	21.78911942	21.78110357	21.4786191	21.71036366	21.87296819	21.63318	21.81153092	21.69648201	21.90848907	21.67485805	21.76897868	21.99670611	21.98337834	21.56745788	21.59100345	21.9595109	21.34580602	21.51320755	21.02921843	21.75045835	21.50591161	21.8336048	21.62382908	22.018834	22.10480603	21.8684728	21.94710591	21.88747462	22.42509413	21.79144009	21.85465704	21.74541343	21.97157402	21.51918584	21.70081618	21.70926904	20.82967676
Histidine	27.46204767	26.92380914	26.78920528	26.11237082	29.70035103	28.42951259	26.78328736	27.49665437	26.33587663	26.17898237	25.90212695	26.0446149	26.40875189	26.3680546	27.44631241	26.33398188	27.27394573	27.48365407	28.73269646	26.41939904	26.72766447	27.4255262	27.39582409	27.74071603	27.32446519	27.43308956	26.73172259	26.32696114	27.66841399	27.81090503	26.77151489	27.23258585	27.43889767	28.34218058	27.66321949	27.70396885	27.74615514	26.83927674	27.23660848	27.44711375	27.31489006	27.7128768	27.52941437	28.17058612	27.81014046	27.60686164	27.44214167	27.20749167	27.17323933	27.58598428	26.92389552	27.02237536	26.91977355	26.7914036	27.59481151	28.01931518	27.45302493	27.91473783	27.7689285	27.58575914	29.76397317	27.4308397	27.73746399	27.09149624	28.55330049	27.6827226	27.40215988	27.17898105	27.72099594	27.12181453	27.91883161	27.20077078	27.84958716	27.78960364	27.81430904	27.24541752	27.17401686
Homocysteine	21.87504416	22.07316631	22.1489541	21.82327682	21.7462718	21.90581885	21.9214004	21.98881378	21.93810991	21.73583815	21.84763961	22.14540463	22.29202265	21.80776287	21.93625017	22.16581431	21.97773657	22.04402704	21.71181462	21.96293085	21.62867421	21.70794589	21.87268084	22.06511367	21.50934327	21.69264137	21.1389081	21.9061261	22.10211375	22.03703896	21.89829263	21.74573645	22.10638681	21.90821897	21.79987996	21.89764546	22.00601774	22.10110881	21.89119417	21.75258936	21.83671018	21.9018054	21.92686273	22.09657892	21.86831658	21.8201564	21.8626253	21.91842869	21.60723307	21.75982157	21.88212861	22.28272205	22.65423626	21.79744197	22.03530303	21.82141002	21.58241654	22.02647417	21.78218521	21.70910425	21.94849146	21.87833343	21.76373357	21.57477513	22.29597594	21.84064204	21.87858363	21.95700301	21.9481652	21.93608454	21.99956689	21.88548667	22.07586605	21.91616272	21.8897143	21.87712875	21.88072414
Homoserine	23.20825077	23.3700995	22.4321107	23.45652893	23.1078184	22.75771911	23.2308787	23.31867905	23.64566994	23.45472912	23.55461191	23.24976023	23.13523653	22.86658205	22.98482779	23.12404251	23.49069377	23.02549128	22.92147806	23.46421974	23.2073497	23.37994284	23.09327058	23.45722541	23.55391772	23.21254083	23.27595293	23.48708519	23.35702631	23.24707204	23.30791818	23.36927468	23.37669527	23.24637695	23.4196081	23.26774152	23.34479076	23.42283458	23.53222966	23.42459699	23.43233529	23.51499104	23.35602773	23.4579118	23.17087431	23.06584076	23.50102371	22.96494751	23.66822528	23.22301944	23.26023897	23.4729056	22.70790535	23.1807622	23.18091433	23.6507934	22.80199078	22.99143502	22.79659597	23.13017741	23.04831863	23.44187239	22.98131152	23.15237944	23.85576322	23.51917203	23.03226451	23.14208113	23.17955211	23.14474495	23.00488273	22.93191707	23.21610787	23.25507335	23.21022391	23.28949017	23.75363561
Indole-3-propionic acid	13.97315889	15.36027978	15.3278829	15.43520787	14.25990157	14.83286226	15.09015462	15.34035871	13.33326409	15.21294522	14.43777042	14.47669246	15.49139789	15.59995746	13.04182515	13.73161435	13.74856095	14.07192966	13.47577801	13.65579991	15.77795492	13.87491562	14.4083159	15.92248317	13.97484325	14.82302829	14.71701528	15.17611702	13.16776039	15.01917302	13.4201547	15.05930213	16.35140241	15.65607934	12.71534334	15.23050541	14.58140457	15.39318371	15.79753313	15.17299046	14.77674445	15.4319451	14.1544784	15.65852183	15.60119992	14.94588608	16.40908656	13.10248706	16.94726896	15.99097821	15.87775335	17.20800897	13.66013563	12.7107374	15.33007755	13.83744955	13.94766489	13.78425422	12.87095707	14.75599051	15.6404769	15.69688299	15.85218598	16.3957134	12.65614487	14.53372043	15.99357087	14.64906824	14.01414812	11.98824148	15.63483455	13.93152805	14.12209461	13.9362442	13.24966443	14.75190717	11.94513418
Isoleucine	19.72644285	20.6351395	19.64767306	20.42051229	20.25044643	21.20628789	19.6149699	19.7806882	19.94693999	20.36317094	20.46419942	20.97793263	19.57904829	20.45993594	19.52373352	19.61121193	20.4817577	20.04774879	20.19546102	20.47066257	20.43049619	20.87738836	20.87665933	19.91064724	20.70881008	20.48880662	20.77757718	25.50476182	20.55689646	20.46888193	20.74690377	20.97888495	20.73684815	20.76911691	20.33005972	20.47912433	21.41693808	20.43925535	20.81685456	20.85127998	20.76235689	20.45620889	19.98662158	21.27413002	21.04062077	20.98913735	20.46399071	20.36739642	20.85405649	21.0453841	20.55463088	20.51972315	20.45065823	20.83611643	20.23753765	20.92787461	20.42497552	21.04795998	21.86228893	20.97071411	20.95089664	20.64868529	20.58411092	20.82115078	20.0554334	20.54239496	24.63645047	20.36892614	20.83608541	20.60520747	20.39175939	21.024365	20.6634278	25.37547071	20.53971367	20.42768114	20.64199341
Isoleucine_Leucine	24.31702757	24.52580223	24.51632063	24.85678439	24.38959539	25.39030395	24.29856829	24.14572714	24.52084658	24.36738921	24.48876144	24.67069208	24.45934305	24.65826209	24.32746492	24.49713856	24.12378896	24.73407439	24.56906268	24.49631362	24.84444094	25.17325675	25.08348969	24.9179833	24.9716728	24.87612848	25.14135471	24.86422656	24.97800181	25.05330089	25.23098774	25.48100992	25.10431311	24.74315123	24.91834701	25.06599331	25.67476359	24.73064535	24.92199785	24.9901766	24.98219156	24.87568535	24.86911182	25.1569126	25.07296223	25.24859622	24.96774562	24.95887339	25.25484025	25.18972942	24.99767222	24.87813148	25.74033384	24.98266806	24.95556029	25.08747053	24.86025238	25.17274156	25.60895549	24.99554616	25.00342972	24.7409553	24.89488669	24.80427776	24.48957928	24.75329989	24.97968522	24.62135384	25.07223322	25.05138755	24.68594741	25.28188715	24.98496803	24.71277907	24.83509283	24.73083818	24.9685085
Isovalerylcarnitine	23.82521403	25.72336271	24.14744204	24.96129113	24.9211521	24.40885883	24.47236993	25.72411236	24.1757842	25.12415781	24.88251555	25.21630633	24.95106112	25.07015094	24.1708317	25.27240443	24.21328056	24.99457835	24.38201684	25.01343435	24.23087749	24.58031288	24.70063445	24.83767381	24.86680585	24.59442902	24.64560034	24.62559396	24.34778853	24.74273974	24.35312284	24.13341449	24.8059973	24.46969862	24.42497813	24.84704078	24.60256471	24.95567509	24.37457526	24.88226122	24.42761815	24.96178169	24.22391462	24.66714508	24.54911774	24.51894104	24.97104912	24.64529499	24.7699087	24.81253364	25.02005333	24.3948781	23.92107518	23.7913003	24.55773254	24.6689032	25.51600709	24.10736325	25.00578237	24.85506388	25.0611748	24.36373231	25.04133198	24.25555596	24.39064995	24.17311969	24.90464674	24.48027101	24.54995565	23.9843046	25.01856944	24.34669265	24.79202421	24.49587811	24.37955852	25.04979184	24.7787032
Kynurenic acid	18.5426645	18.28655694	19.71583191	20.20559661	19.89450127	19.23162316	20.2500955	19.84618392	18.34006612	19.44044991	18.07758459	19.1677104	19.9484598	19.7032965	18.8928044	19.35729935	19.27903558	19.02907188	18.65773464	19.43453213	19.12844071	19.54216386	19.45314197	20.60942315	20.78205243	20.68563518	19.7198493	20.59102572	19.28631454	21.84598851	19.44341071	20.13879408	19.72791152	18.84922742	20.19991019	19.73692089	20.55251932	19.71269833	19.9081098	20.22709921	19.6183751	20.0728308	20.72891578	21.48750947	20.17701271	19.72877733	19.75222624	20.47930992	20.04101814	20.36379712	19.22489272	20.90334624	18.38514824	18.87510062	20.10114716	19.41703599	19.94558835	19.953106	19.07273331	19.25089935	19.38563199	22.43465344	19.63101593	19.99810188	17.99981568	19.76474435	20.78275655	19.93990388	20.28481719	18.80333715	19.75407204	19.05239797	20.55327216	20.33717988	19.57170973	20.28099376	19.47693875
Leucine	19.46301548	19.70664439	19.91298601	19.99045375	19.45443989	20.39682553	19.48758232	19.19920101	19.69894695	19.44857447	19.52235059	19.77615321	19.73933917	19.71618088	19.5835583	19.79850184	19.05730038	19.90172179	19.74100809	19.6506716	19.86858658	20.29553551	20.11210252	20.12702963	19.97232485	19.92659354	20.16664108	19.72441091	20.0890087	20.1044573	20.29228576	20.5661888	20.15198649	19.72390711	19.98579	20.1687394	20.74257333	19.72331287	19.9024655	19.93536019	20.02247621	19.85000752	20.01019482	20.16851564	20.1180606	20.22374622	19.93189534	20.02304052	20.25696376	20.07800006	19.94902336	19.94121711	21.13365118	19.90952581	20.05707664	20.00850597	19.89707185	20.27334432	20.56660211	19.9464423	20.08396542	19.72800982	19.86262827	19.64848135	19.67323331	19.77673552	19.92157507	19.61309693	20.17009977	20.05669152	19.83071562	20.21196595	20.08344813	19.61451484	19.91646529	19.77158569	20.09340802
Lysine	26.60700642	26.67448675	26.84394625	26.83831054	26.56547486	27.15315266	26.72362053	26.66261256	26.98945363	26.70269258	26.80162261	26.7038085	26.7668653	26.9001176	26.72430245	26.73719556	26.69585481	26.85175886	26.60930746	26.63133917	26.96731862	26.62728328	26.69312203	26.90849288	26.62653683	26.8982873	26.6404535	27.0712483	26.78353143	26.53716647	26.53257499	26.64032878	26.8999405	26.72437718	26.76871511	26.86869158	26.82851139	26.56514042	26.87050442	26.67630186	26.85051964	26.82267212	26.76734227	26.88127668	26.89935889	26.94924658	27.02295205	26.73980188	26.7826016	26.8941275	26.98037668	26.82007482	27.00236325	26.76693454	26.93771531	26.69206053	26.61543767	27.03033952	26.77661648	26.98560559	26.6028528	26.7990962	26.99040718	26.81609925	27.30188149	26.84403446	26.61033941	26.99566712	26.93285157	26.75378616	26.53184555	26.95492625	26.97031446	26.92075644	26.7264895	26.8104432	26.72073885
Methionine	20.71174146	19.99105623	19.69236	20.40219323	21.4436788	20.00430422	20.87512158	20.60962522	21.00787714	20.70032501	20.56577936	20.51145453	19.33953256	20.90610711	20.72702531	21.28859035	21.32573869	19.91118464	21.10773765	20.35731084	19.98561542	19.99733906	20.32879949	20.15290622	20.29232434	20.17048262	20.46217387	19.70070451	20.37064646	20.37091674	20.07945076	20.49972547	20.14090256	19.93557156	20.23306499	20.44844763	20.27686602	20.11820196	20.15225416	20.29248581	20.63546634	20.31155463	20.05161062	20.13758291	19.91509927	20.273674	19.82783109	20.0250007	20.43936479	20.14586773	20.15784155	20.4789927	21.82487798	20.58764844	20.37178358	20.5615989	20.07230296	20.15501862	20.54899428	20.27068149	21.07222216	20.0840483	20.28716551	20.07102603	19.85496625	20.07364458	20.28216049	20.33908468	20.0831278	20.57929977	20.37678668	20.15163936	20.55243012	20.50959759	20.51342588	20.24955781	21.03382247
Methionine sulfone	22.71877469	21.67902837	22.260845	22.00893855	22.19585276	21.46356977	21.91580531	21.84367856	21.87336634	22.02458946	21.64817297	21.78520157	21.74663498	21.83035301	22.44531283	22.03616913	21.99330726	21.76965449	21.80554167	21.47719485	21.58080632	21.39883873	21.61005271	21.34387339	21.19325091	22.14075414	21.4410117	21.29708482	21.71401086	21.55545005	21.04792027	21.15986311	21.78979259	21.97889065	21.68285899	21.58476706	21.29141745	21.13997892	21.08794668	22.05906767	21.66496222	21.25614504	21.6750058	21.01777542	21.41835829	21.57592442	21.50940359	21.71235375	21.82953268	21.34179569	21.72418952	21.76879741	22.33091968	21.74927724	21.91309904	21.50574659	21.86906634	21.30366902	21.59305848	21.75709585	22.31159602	21.15141266	21.33663804	21.93442302	21.27631348	21.23355848	21.18911139	22.20867753	21.50085942	22.36366858	21.56650975	21.71666884	21.51213868	21.18718451	21.87119499	21.60951582	21.85221591
N-Acetylglutamine	24.56262987	23.81453459	23.52614012	23.98065806	24.23649912	24.08923199	24.27346463	23.53462825	23.79303344	23.72060699	24.11596396	23.47458847	24.26264585	24.57097012	24.54420535	22.99458549	23.84684431	23.72137385	23.84474898	23.46272351	24.30910372	23.68456914	24.45533816	23.4162651	24.17884824	24.26195072	24.06089607	24.23658037	23.79979597	24.2477636	24.79495107	23.81021518	24.22244039	24.29651548	24.16634378	24.08605674	24.29455749	24.65291588	23.70322362	24.38681876	23.7604868	23.8412347	23.80081733	24.31557461	24.20404658	23.78753302	23.83649176	24.13608927	24.34063472	24.42600028	23.79682438	23.95883031	22.8332995	23.72722003	24.02283975	23.78201022	24.17647058	24.09705944	24.25528639	24.23507075	24.1511052	24.0590007	23.99013534	24.17219006	24.43077647	24.00673737	23.9100796	23.85511318	24.31065209	24.22174616	24.14867807	24.50761477	24.31150599	23.6221787	24.23093696	24.04217699	24.11804505
NG-monomethyl-L-arginine	19.46787374	20.62934086	19.44238298	19.46482851	19.78487197	19.82739456	18.9760681	19.42481763	19.25620796	19.11422398	19.83000616	19.16225609	19.79386115	19.51269343	19.14209166	19.33069007	19.44881478	19.04155214	19.60375262	19.73627249	19.88844801	19.98261107	18.84434488	19.67176424	19.45855463	19.39984665	19.03281336	19.26128346	19.19924726	19.37245742	18.94805242	19.59413931	19.25536486	20.00076592	19.46625192	19.29366524	19.05615408	19.51650639	19.64789332	19.66097745	19.15191494	19.47913246	19.39891444	19.04549018	20.03873645	19.64893862	19.82029649	19.79085842	19.40142897	19.12998115	19.62063953	19.2242344	20.6482836	19.37829235	19.43862785	19.31920204	19.50173824	19.40085214	19.70774472	20.16997582	19.47314116	20.08488901	19.50954321	19.63599021	19.35720837	19.41450801	18.77577151	19.13249975	19.32027742	19.82175247	19.5262644	19.76082074	19.62493185	19.88713228	19.78752591	19.17936863	19.89236057
Norepinephrine	19.55556916	19.01497962	19.68790689	19.57440765	20.56447004	19.17923803	19.47885689	19.05585052	19.27726225	19.50923746	20.06588782	19.05497613	20.09136288	20.08076138	19.51365509	19.8390434	19.61591125	20.03858753	20.20308496	19.35767245	18.86775111	19.21796627	20.14072722	19.50466593	19.80626822	19.15057174	19.41850355	19.24964976	20.26120753	19.72090679	19.89360868	19.89383702	19.61115428	19.39819256	19.15597786	18.97055353	19.83941211	19.8170457	18.69444677	19.30469728	20.01787272	19.81993169	18.47693664	19.60841836	19.50715821	19.12062645	19.50003962	19.7451355	19.36644111	19.3870922	19.16961657	18.96583656	19.07550011	19.57987596	19.49581737	20.32929636	19.14779391	19.43456033	20.48798654	19.564695	20.4505059	19.37334901	18.99050696	18.57851336	20.71823363	19.55192946	19.98485591	18.89836766	19.5623393	19.2590855	19.99549629	20.1636407	19.08799414	20.15122444	20.51248026	19.53055812	19.23953487
Ornithine	21.21965596	21.83552105	21.26634686	21.59891734	21.18207542	21.88377543	21.4852673	21.20101904	21.0382287	21.35733376	22.12869659	20.80871862	21.97009571	22.47773204	21.96456885	21.53372572	21.87476982	21.10479846	20.32315007	21.77650019	21.60365907	21.49484526	21.19350909	21.85448767	21.22328926	21.84939183	22.1188538	21.08980217	21.327788	22.21925776	21.27925156	20.80258963	21.33088323	21.59096138	22.55945518	21.40850241	21.86289359	21.47107626	21.12651716	21.71382469	21.01482518	21.55991371	21.09176815	21.40397052	21.57842768	21.20389288	20.75866936	21.61536826	21.95170689	21.80005093	21.64895339	21.23730257	19.8759152	21.04626519	21.38569865	20.79639479	22.21151967	21.30911751	21.16693904	20.95150657	22.15229624	21.17064869	20.84092806	21.6294651	21.06264606	21.94998802	20.92981748	21.61150042	20.9187021	21.9439643	21.11081208	20.57005674	21.37490123	20.63279779	21.90475794	21.34205833	21.75593327
Phenylalanine	25.19933813	25.08214218	26.0349227	24.84170762	24.98843408	25.19122092	25.2119331	24.97370118	24.76461574	25.20487743	25.05636258	25.00894972	25.14449296	25.15296389	25.229264	25.43058831	24.9832848	25.52496783	25.01909121	25.08464027	24.66874822	24.61025141	24.67315188	24.92211653	24.79570414	24.93864539	24.86451532	24.48694516	24.83171139	24.65645242	24.58324575	24.68505455	24.95839938	24.4353086	24.58898381	24.842503	24.72323148	24.88947096	24.66491615	24.34093412	24.85952885	24.71666169	24.79381127	24.61816388	24.97684138	24.85363619	25.20111699	25.04389607	24.81324749	24.52230319	24.8033936	24.84512083	25.94760903	25.16205206	24.84139009	24.56502643	24.83688443	24.84726473	25.03536613	24.78941306	25.05574375	24.61517706	24.7672783	24.67021982	24.68853866	24.74557779	24.77855513	24.85835314	24.95280904	24.69274489	24.79737899	24.8020577	24.72800755	24.95703866	24.93655057	24.61425785	24.78178586
Phosphocholine	19.09900789	19.66708444	18.93261376	19.08357549	19.48014887	19.64714651	19.17808687	19.40142442	19.36840606	19.17985142	19.54523216	19.33517085	18.87736424	19.53853911	19.08385953	19.24664335	19.42784665	19.24258026	18.74192846	19.34654373	19.60019803	18.96552047	19.60778134	19.29050903	19.03334104	19.23083441	19.76473197	19.27904528	19.30738615	19.05174858	18.87873664	18.89288001	18.83314399	19.18531247	18.89211984	19.39464001	19.39004116	18.68854878	19.13810578	19.07195207	18.7812766	18.89220602	18.49915021	18.91303693	19.21650046	19.04405645	18.84763443	19.13082321	19.03483804	18.7111317	18.83172592	18.71024567	19.8642355	19.06736348	18.84075422	18.8596042	18.8133535	18.9032528	19.1876411	18.69726956	19.14570951	18.63110945	18.5681481	18.84313379	19.80975579	18.68738909	18.6831688	19.62740297	18.83788344	18.72117816	18.5747983	18.89353114	19.0858375	18.79664211	18.69883891	19.0135205	19.10893034
Phosphoethanolamine	19.31080174	19.24369201	19.44061007	19.17157113	19.37161064	19.30269014	19.21379089	19.32204595	19.21694716	19.32639347	19.25770353	19.21520828	19.33778017	19.36994924	19.35324596	19.31546964	19.33836042	19.30339895	19.26887763	19.24555835	19.27291483	19.24383088	19.20653371	19.1976163	19.25457337	19.19605565	19.13059724	19.36644941	19.25092295	19.26564317	19.27585266	19.3423483	19.35271038	19.33037167	19.3266138	19.33843571	19.34375953	19.28173885	19.36101438	19.33685528	19.41162584	19.3045815	19.18172149	19.20893204	19.38485173	19.29089102	19.31206601	18.97863993	19.30994912	19.20354638	19.28204841	19.4404976	19.19195111	19.1978171	19.31222432	19.34332512	19.29764098	19.28732153	19.31339974	19.28804989	19.48973163	19.31558085	19.29093995	19.17102278	19.32955028	19.34400466	19.21367191	19.37210665	19.27886018	19.2636821	19.21554414	19.29269651	19.34468879	19.30203322	19.30554452	19.3661136	19.17101672
Proline	24.85332535	24.32184177	25.13763776	23.73891304	23.96658065	23.61472454	24.56510113	24.51320847	23.95545117	24.7735233	23.99815119	24.97254727	24.63702372	24.39375273	24.72224283	24.61629639	24.07781119	24.32286874	25.36962864	25.10599357	24.4718056	24.37397845	24.34117682	24.35308638	24.64006255	24.37561947	23.87299252	24.35117769	24.77812843	24.21360633	24.40396064	24.67351884	24.91122261	23.83685567	25.00073282	24.36427409	24.29487046	24.04690942	23.76484399	24.11390384	24.51926636	24.3592114	24.18107005	23.98644515	23.59237998	24.7135987	24.77459273	23.97477864	24.07714917	24.95372228	24.12257423	24.23153261	24.74222172	24.17875899	24.70417347	24.66719529	24.16839164	24.39587303	24.74988627	23.84295109	24.32115188	24.21169033	24.23554897	24.61484128	24.03417639	24.5675886	25.18819691	23.93851259	24.20661727	23.44943121	24.43935127	24.62397828	24.35226672	23.78025015	24.12270105	24.20001951	23.78262383
Purine	15.58457229	15.40275632	16.36570163	15.57683675	15.27130787	15.75963425	15.83477645	15.61310613	15.26214473	15.59788282	15.5357972	15.55090004	15.65544531	15.7136815	15.87453324	15.89345636	15.64721769	16.0215836	15.66533534	15.72859003	15.48837992	15.16656066	15.31650021	15.65544422	15.39003689	15.29422458	15.5582076	14.96595775	15.22734674	15.19293561	15.36403985	15.19944187	15.47640206	15.30410239	15.44787225	15.71026602	15.36338494	15.14644933	15.32938564	15.37553721	15.39509991	15.25169026	15.18081815	15.20241275	15.53570346	15.4205982	15.7260168	15.29135031	15.39709374	15.25238056	15.33500709	15.47654405	17.2903496	15.56810724	15.66371993	15.10344417	15.31702808	15.39088779	15.50615137	15.3662242	15.39860826	15.03864347	15.18459382	15.40818439	15.34592236	15.30876583	15.43794732	15.34890568	15.58769688	15.14918634	15.48764264	15.59280934	15.23244389	15.60914427	15.47133573	15.14221617	15.21612797
Pyridoxine	21.40275308	21.23755173	21.55931564	21.14797866	21.01478033	21.02758202	21.28616168	21.35145502	20.75697081	20.92569882	21.12269236	21.51099487	20.73952237	21.25633252	21.51880222	21.33067051	21.04924357	21.34071843	21.07562584	21.25903679	21.19531531	21.22148263	21.07716993	21.42011922	21.38537519	21.27613899	21.06700488	21.46160235	21.16857797	21.3290208	21.23807658	21.22574328	21.35235264	21.11903788	21.27550706	21.33077691	21.1324833	21.3000172	21.31647941	21.33900243	21.15360524	21.20370768	21.38897442	20.82829496	21.24672198	21.1379095	21.0685831	21.21929937	21.24607508	21.07478862	21.21052737	21.56447782	21.18320816	21.17537942	21.18020953	21.23129428	21.32387644	21.25050604	20.98781965	21.0685151	21.16860068	20.94587586	21.20065159	21.26623229	20.60668224	21.29777085	21.36721899	21.3790913	21.24295302	21.07182021	21.1174086	21.06517888	21.3781293	21.10649176	21.12854276	21.31553387	21.68622938
Riboflavin	21.95342628	21.88910929	21.59204307	21.45109273	21.96046942	23.18404491	22.53339081	22.60278778	22.04102418	21.39691606	20.88660589	21.68964262	21.46702301	20.6909985	21.70074646	21.05366539	21.70654615	22.09171128	22.68204887	22.55081701	22.13294397	22.30349016	21.69893865	22.38106832	21.8680088	21.59884015	22.03539858	21.71874127	21.56739346	21.91522442	22.61008636	22.65956904	22.39181833	22.17927243	21.51061525	22.64917221	21.77162696	21.75286041	22.48651139	20.97018568	21.6440781	21.83420824	23.04111762	22.70835273	21.95940755	22.58877663	22.02773725	22.19046899	22.14168711	20.5847679	21.84557101	21.26112424	23.42456945	20.7902303	22.42592593	21.89791777	22.04747023	22.40014751	20.73978573	22.70740704	21.37136291	21.62802855	22.71716771	22.6880793	23.24606551	22.12985953	21.78815791	22.67106157	21.58887803	21.93048845	21.99906759	22.26561996	21.97423636	22.16000662	21.90951465	22.38040732	21.77075159
Serine	21.19454696	20.60100013	20.77997443	20.48081616	20.70637259	20.02505951	20.67449175	20.66487636	21.35427232	20.94745501	20.76387646	21.04634579	20.99121116	20.41281302	21.29984496	21.62185256	20.92178253	20.88206118	21.41477059	20.99269066	20.55953372	20.72181344	20.50371974	20.41920653	20.23924092	20.07445732	20.46323482	20.62559753	20.2205002	20.09411065	20.75976589	20.17260294	20.41036409	20.58564871	20.58820625	20.18245938	20.15173694	21.08878114	21.05125145	19.99496729	20.67807823	20.11347356	20.37399782	20.16033419	20.25404537	20.55218792	19.63955855	19.99265331	20.05741079	20.99855512	20.55285388	19.93124007	21.78439894	20.85743302	20.7315541	20.18372854	20.58105493	20.32651069	20.69155373	20.44362189	21.07272342	20.42237466	20.50884429	20.80355349	20.93827516	20.81578992	20.84643113	20.79730162	19.80460057	20.92401096	20.86530549	20.42482451	19.89966103	20.44450414	20.75282586	20.64858497	20.54234031
Serotonin	16.2842226	16.25884938	16.25264462	16.02315428	15.9165237	16.42080345	15.59923296	16.22540955	14.74814576	16.47394294	15.90316938	15.56594079	15.97257534	16.43430792	16.272725	15.88650552	15.97866936	16.09302512	15.6982479	15.7601985	16.71617603	16.21093375	16.77383814	16.38491393	15.90711967	16.00486414	16.29538476	15.87253527	16.43806093	16.26451952	16.50656853	16.51394472	15.83003359	16.23394834	15.84882314	15.99443145	15.97622199	16.53584358	16.75557584	16.37011578	16.58795199	16.16217768	16.00452791	16.29714463	16.21246744	16.18285824	16.04291108	15.93650565	15.86016258	15.88715842	16.19630613	16.54875663	15.34080937	16.29911017	15.96033454	16.18248949	16.42448685	16.07613048	15.76549721	16.53486539	15.79600057	16.7758443	16.29943086	16.09056152	15.19869972	16.39194926	16.07117643	16.35764484	16.4613964	16.73560482	16.40903475	15.79198274	16.10074239	16.648026	16.41838884	16.45222137	16.14350465
Spermine	24.93949352	24.91956145	24.79461051	24.69166726	24.55714578	25.13638491	24.56934929	24.58844282	24.71710637	24.94288927	25.12908824	24.27516393	25.17834192	24.59311026	24.88128255	24.81466533	24.63086585	24.77439378	24.70345852	25.14527574	25.03988069	24.83450216	24.63073712	24.69980611	24.76363474	24.81442128	24.69918803	24.795566	24.35344495	24.31625388	24.70239689	24.55876736	24.66118602	24.49776608	24.82108467	24.68364871	24.62932001	24.72529544	24.82465784	24.73804952	24.60374697	24.52385197	24.866698	24.99588724	24.74808094	24.86954936	25.03288929	24.79702323	24.58044497	24.85186177	24.96780874	24.87035895	25.34827067	25.02866761	24.78915614	24.78290565	24.63081339	24.94553505	24.64132767	24.71527933	24.30977113	24.75323886	24.7268355	24.77328938	25.4155579	24.83006597	24.83407716	24.63145911	24.77725338	24.82657319	24.81099147	24.3440019	24.57833601	25.07325903	24.72851427	24.54913228	24.89261054
Taurine	25.96244421	26.06103568	25.86672982	26.12744333	25.42680826	25.5607644	26.27263486	26.37609222	25.43143094	25.99920394	25.96301982	26.33410298	26.24502904	25.83415961	25.96729975	25.60883796	25.93700122	25.66515203	26.12679901	25.99431524	26.24797406	26.13755164	26.02087915	25.96424883	26.13526486	26.06874073	26.26393918	25.87822929	25.73130602	26.08558653	26.01568711	25.97947059	25.74349445	25.66572051	26.04927133	25.89348101	25.49480297	26.15369368	26.08189999	25.85067515	25.98918912	26.14701992	25.93900027	26.1656582	25.74826617	26.05551187	25.92228335	26.1738109	25.84454375	26.14568568	26.16699314	25.61110914	25.22150179	26.04118746	25.908925	26.01253361	26.1789067	25.95643652	25.85754718	25.83757539	25.85359066	26.21383364	26.4266694	26.21114283	25.61570893	26.36959348	25.95627911	26.01423216	26.29646927	26.01729206	26.10809934	25.85501155	25.73439327	25.88687265	26.16139347	25.99764878	25.75612328
Thiamine	14.72612886	14.83694114	15.8001113	14.97051333	15.5873572	16.96724856	14.56574035	15.94972145	15.4614447	15.76567976	14.33044427	14.9350366	15.12643486	17.43644835	14.81758977	17.84430358	15.38883466	17.15146971	16.57441789	15.87877032	16.70329112	14.63358877	15.35493847	15.70510758	14.64784961	15.74189933	15.64137121	15.88319437	15.99447073	16.14125672	17.10705825	15.2277363	14.690903	14.79826966	15.69547113	15.09801465	15.10967424	14.48805112	15.36562216	14.72585423	14.0258612	16.46415045	14.90209671	18.14228919	15.386527	15.69000242	14.72311698	16.84477512	15.1937701	15.36611809	15.28815396	13.3782107	20.04918666	15.24976933	16.27057332	15.58190906	14.39440166	14.68816753	13.21548148	16.45356542	15.26928335	15.88300087	14.92103868	15.83442763	19.13310623	16.20235823	14.45418963	17.00058586	16.45379142	14.86822739	16.56420148	18.38535887	18.2714197	14.7617173	14.40124976	15.35730275	16.59832636
Threonine	23.51213451	23.69808198	22.71330159	23.76265593	23.38557011	23.05999874	23.60394545	23.67200968	23.92765631	23.73633276	23.89638778	23.52883118	23.45997337	23.15085339	23.30229785	23.46714242	23.93974444	23.31165412	23.19036602	23.67891653	23.48085599	23.62062626	23.38329194	23.71546345	23.88624347	23.60869274	23.54456663	23.79595648	23.69770041	23.58176826	23.60979215	23.68099853	23.68774591	23.56481028	23.7375709	23.51013549	23.63450867	23.76293041	23.82455223	23.70663084	23.77707719	23.82707057	23.6367226	23.70324603	23.48682661	23.28790156	23.80265813	23.23281745	23.96252751	23.51312283	23.5403737	23.69428388	22.87205548	23.45852016	23.53104534	23.86384029	23.27549333	23.25575372	23.13201506	23.50650536	23.40605073	23.74635404	23.27190445	23.44667848	24.13530914	23.84029633	23.35113458	23.43726043	23.46240828	23.46862984	23.36170129	23.26167208	23.54947017	23.58715875	23.51325191	23.54848402	24.10197689
Thyroxine	14.42322161	15.3327468	15.39949527	15.4494794	14.8154821	15.29736432	14.53006247	15.19569743	15.16177235	15.08530277	15.46999139	15.42981899	15.70656948	14.21004021	15.09548539	15.89487418	14.03998668	15.3349663	14.9373214	14.41001072	15.54040579	14.44187836	15.78253235	15.4958946	15.3352297	15.35300248	15.52697187	14.93681655	15.03434746	14.81163658	15.5255005	14.67379043	15.20698691	14.88981549	14.95851491	14.81457973	15.13599848	15.8201703	14.9934361	14.85693288	15.35173273	15.9032517	15.4546772	15.31758779	15.41173002	15.61340974	15.61727584	15.02976788	15.44113207	14.87951284	15.00570792	16.14973228	14.28844143	14.17089103	14.90621478	15.34893049	15.26664083	15.32897097	15.98918485	14.75621768	15.05271541	14.86418726	15.89360635	14.89856308	14.18600878	15.3012513	15.25168818	13.96709811	15.43398129	15.13521695	14.35738802	15.25006462	14.89558896	15.58172983	14.42192749	14.89903502	14.24913052
trans-hydroxyproline	22.95241449	23.02416567	22.97533907	23.08901116	23.01181047	23.03703837	22.94725627	22.99437054	23.00233466	23.0735891	23.0209365	22.9228337	22.9989894	22.92700431	22.98987358	22.88482235	22.92656257	23.01522236	23.02913801	23.01749636	23.07579788	23.01058595	22.96644106	23.04522041	22.9675033	22.96258	23.11345598	22.9517368	22.88213854	22.88802395	22.90460694	22.87399673	22.91205167	23.0731328	22.89915635	22.94030704	22.9738257	22.95898616	22.92819482	23.00282619	23.04349942	23.05184584	23.06460755	22.97022625	22.92906162	23.06782947	23.13803719	23.07448728	23.04476346	23.00103506	23.05093443	23.00620871	22.79075546	22.9807535	22.9187974	23.02510661	23.02434545	23.00438372	22.96299832	23.09912302	22.87823527	23.02261119	22.94532148	23.00609659	22.86729023	23.03586467	23.12508311	22.93221468	23.06644762	23.06813946	22.94955037	23.03794671	22.90549699	23.06106133	23.05915276	22.94676218	22.91938397
Triiodothyronine	12.62511074	12.5840498	13.75611566	13.7623762	13.44510474	13.54606077	12.64313279	14.58426652	12.89887784	13.16486582	12.54928785	12.90877912	13.63180452	11.26860069	12.60541634	13.32928451	13.09972032	13.09307612	13.50134487	11.98403512	14.03599221	13.30003276	14.03802922	13.7836858	13.49141994	13.4304726	14.09053996	12.77312084	13.93863795	13.36453202	13.96902413	13.57916893	14.02756698	13.68971845	14.48207081	13.95751669	13.76666881	14.00554359	13.82973985	13.75624836	14.12530621	14.14108532	13.89148229	13.34300368	13.47812591	13.88583105	13.9189469	13.40864804	13.66537554	13.40058885	14.12902927	14.30531797	13.88157221	12.85237557	14.45467086	13.46742633	13.97328909	13.39987993	13.9653316	14.04319218	12.47164147	13.68671344	14.11253645	13.82138522	13.12599836	13.45583221	14.23455195	14.04804574	13.69474689	13.79203411	14.36727417	14.1785082	13.32333874	13.66717943	13.67654715	13.89828432	12.93185486
Trimethylamine	25.08436811	25.06139091	24.98766651	25.05421887	25.10136564	25.09052248	25.0839072	24.96192581	25.05996459	25.0719474	25.16545921	25.0366872	25.14185665	25.14856388	25.02198614	25.06771602	25.03886174	25.0525392	25.03518093	25.15707876	25.07027637	25.21949626	25.08030181	24.93708409	25.14579229	25.20517084	25.36361155	25.13961606	25.15200592	25.17708191	25.20999325	25.11003117	25.01793554	25.10148469	25.18120554	25.06557441	25.0517675	25.01168142	25.0650204	25.12655745	24.98114276	25.06860042	25.11777483	25.23017023	25.13271118	25.07338573	25.15227277	25.1425066	25.20247104	25.06353132	25.13405822	25.13641005	25.21393174	25.14184254	25.092881	25.13691765	25.10225834	25.16957927	25.25868706	25.07676896	24.9667089	25.18567362	24.98571373	25.09768294	25.05414534	25.07889806	25.11368898	25.08707671	25.0165025	25.21870218	25.00188057	25.05053692	25.12196671	25.1203931	25.15583053	25.06702485	25.13607846
Trimethylamine N-oxide	21.57117658	21.088213	22.51451284	22.25448119	22.94810954	22.82067454	22.719806	23.26018987	22.99562619	22.37227158	21.83056274	21.61571255	21.51348529	23.83703627	21.13398491	23.51894827	22.85474401	22.10675481	22.08495396	22.88133414	22.81726257	23.99851786	22.989131	21.28698252	22.22705649	23.26443306	24.97446298	24.55931984	24.08376536	24.72203402	24.48281478	23.16565492	20.87183591	19.84357697	20.69750896	24.35625184	24.24565988	22.81505264	22.80144521	22.12474588	22.68538991	22.09497128	22.71390878	24.21191255	22.06151978	21.93516613	23.08526256	21.34203527	22.97205915	21.1652325	22.67917698	22.11848139	20.77711966	22.89488118	22.59202876	23.47361689	22.93689326	21.15141821	23.91670653	22.16010875	22.6423625	22.84677983	23.98033571	23.85247775	21.42460995	22.1457473	22.60100305	21.7688302	24.60319439	22.95913741	22.5829709	24.14956443	24.68015001	23.02333303	22.28191475	23.38984565	23.32207259
Tryptophan	23.01346153	23.40975801	23.59211735	23.99128084	24.12880009	24.1898144	23.48508896	23.26374285	23.28111739	23.90285074	22.70622873	23.94137619	23.19149092	23.38692709	22.50786708	23.50162092	23.66436883	23.51661379	23.28816466	22.30409935	23.20245207	22.87788947	24.04981529	23.09178737	22.88863905	23.61916706	23.61729663	23.07297664	23.89540379	23.25494835	23.34494961	23.28781049	23.63542538	23.65718469	23.3790669	23.57179136	23.46824198	23.38750213	23.390409	23.73591732	24.11975324	23.3045346	23.40214994	22.87499318	23.92433947	23.97896258	23.50647969	23.36566019	23.54104653	23.25558294	23.80890328	22.95888373	22.28763073	23.66309122	23.65807609	23.50719686	23.52988352	23.86977289	23.51181575	23.65910491	24.49388355	23.52489575	23.51683018	23.53882309	23.71564069	22.95522665	22.68764824	24.00956735	23.25859191	24.01834788	23.30861446	24.26884041	23.40148646	23.23595084	22.8173467	23.76119651	23.87391837
Tyrosine	22.9052569	21.84602748	22.43739971	22.17925211	22.36790641	21.54728625	22.04969102	21.96358143	22.08452693	22.19314929	21.73352773	21.91880015	21.89544491	22.0405117	22.47811315	22.19284992	22.1725981	21.97012306	22.01874972	21.67681017	21.71222653	21.45696657	21.83928831	21.56520106	21.30947064	22.32920229	21.64160655	21.44558306	21.85449683	21.76538867	21.21175575	21.296275	21.89418188	22.15086028	21.87229292	21.77817433	21.34515469	21.30662806	21.2648218	22.15476231	21.85836545	21.42779104	21.93097948	21.18122097	21.51996434	21.67588457	21.65055019	21.84445471	21.96761045	21.43120922	21.83041733	21.88067177	22.39905441	21.91442487	22.05760706	21.6680749	22.21700989	21.52753331	21.72001742	21.99248411	22.43915377	21.09989056	21.45567493	22.07742821	21.45869141	21.41351949	21.28391151	22.39885266	21.65736359	22.48788098	21.73369672	21.88214041	21.63148652	21.37534163	21.97717119	21.71891973	21.97320836
Uridine	24.9654446	25.00085338	24.71444138	24.72903989	25.33900163	25.54785953	25.02276673	25.2715362	24.41828115	24.52718247	24.71605939	23.95445669	24.30336842	24.76288583	24.83513446	24.6303539	25.45581278	25.62166804	25.67198319	25.02937529	25.01354497	24.8292716	25.11979216	25.305371	25.32725119	25.54510745	25.27919608	24.61013533	25.52595307	25.29547001	24.78568731	24.91589848	24.78073683	25.43798249	24.79744887	25.17774158	25.18539768	24.80431807	24.82030811	25.00073998	25.05431931	25.23361017	24.82999736	24.99423828	25.15968754	24.92690389	25.18769614	25.11570265	25.38601782	24.82992745	25.23083739	25.50242184	25.55612209	24.75225951	25.18145248	25.33721127	24.7663479	24.70148433	24.53814139	25.13822155	24.70857907	25.24247579	25.04833435	25.18026418	25.65201324	25.42401865	25.40278352	25.38044893	25.99799407	25.26023423	24.8092655	25.29112021	25.2922007	24.84875199	25.00950081	25.01429925	24.07656881
Valine	23.41696468	23.64478352	23.34756281	23.77545338	22.82456023	23.70342718	23.2809381	23.10098583	24.28582611	22.90269664	23.11078783	23.8768916	23.60603841	23.32835407	23.51745952	23.29557926	23.251639	23.67517567	23.10184012	23.32055285	23.5084604	24.18141291	23.78249355	23.59567605	23.6941462	23.5209917	23.81919953	23.54245015	23.98246918	23.68022387	23.96313278	23.81937948	23.71578372	23.61260174	23.64559291	23.70002994	24.15493377	23.40730128	23.82339843	23.77192039	23.70908906	23.5800014	24.00066614	23.85054167	23.79124279	23.92272053	24.01181305	23.54597855	23.97022317	23.78614795	23.5473491	23.51266406	23.99201377	23.42084807	23.63225431	23.71875309	23.86283014	23.95472956	24.41054534	23.39661502	23.75429298	23.39790272	23.53824125	23.7533144	23.38354336	23.29172678	23.58549027	23.36948056	23.611463	23.47028106	23.44886335	24.11015579	23.85561228	23.18734033	24.00419989	23.53841747	22.57017858
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG	HMDB
1-Methylhistamine	C05127	HMDB0000898
2'-Deoxyadenosine	C00559	HMDB0000101
2'-Deoxycytidine	C00881	HMDB0000014
2-Methylbutyroylcarnitine	-	-
3-Aminoisobutanoic acid	C05145	HMDB0003911
3-Deazaadenosine	-	-
3-Methyl-2-oxovaleric acid	C00671	HMDB0000491
5-Aminolevulinic acid	C00430	HMDB0001149
5-Hydroxyindoleacetic acid	C05635	HMDB0000763
Acetoacetic acid	C00164	HMDB0000060
Acetylcarnitine	C02571	HMDB0000201
Acetylcholine	C01996	HMDB0000895
Adenosine	C00212	HMDB0000050
Alanine	C00041	HMDB0000161
Aminoadipic acid	C00956	HMDB0000510
Anandamide	C11695	HMDB0004080
Anserine	C01262	HMDB0000194
Arachidonic acid	C00219	HMDB0001043
Arginine	C00062	HMDB0000517
Asparagine	C00152	HMDB0000168
Aspartic acid	C00049	HMDB0000191
Asymmetric dimethylarginine	C03626	HMDB0001539
beta-Alanine	C00099	HMDB0000056
Betaine	C00719	HMDB0000043
Butyrylcarnitine	C02862	HMDB0002013
Carnitine	C00318	HMDB0000062
Carnosine	C00386	HMDB0000033
Choline	C00114	HMDB0000097
Citrulline	C00327	HMDB0000904
Colchicine	C07592	HMDB0015466
Cotinine	-	HMDB0001046
Creatine	C00300	HMDB0000064
Cyclic AMP	C00575	HMDB0000058
Cystamine	-	-
Cysteamine	C01678	HMDB0002991
Cytidine	C00475	HMDB0000089
Cytosine	C00380	HMDB0000630
Dimethylguanidino valeric acid	-	HMDB0240212
Gamma-Aminobutyric acid	C00334	HMDB0000112
Glutamic acid	C00025	HMDB0000148
Glutamine	C00064	HMDB0000641
Glycine	C00037	HMDB0000123
Histamine	C00388	HMDB0000870
Histidine	C00135	HMDB0000177
Homocysteine	C00155	HMDB0000742
Homoserine	C00263	HMDB0000719
Indole-3-propionic acid	-	HMDB0002302
Isoleucine	C00407	HMDB0000172
Isoleucine_Leucine	-	-
Isovalerylcarnitine	-	HMDB0000688
Kynurenic acid	C01717	HMDB0000715
Leucine	C00123	HMDB0000687
Lysine	C00047	HMDB0000182
Methionine	C00073	HMDB0000696
Methionine sulfone	-	HMDB0062174
N-Acetylglutamine	-	HMDB0006029
NG-monomethyl-L-arginine	C03884	HMDB0029416
Norepinephrine	C00547	HMDB0000216
Ornithine	C00077	HMDB0000214
Phenylalanine	C00079	HMDB0000159
Phosphocholine	C00588	HMDB0001565
Phosphoethanolamine	C00346	HMDB0000224
Proline	C00148	HMDB0000162
Purine	C15587	HMDB0001366
Pyridoxine	C00314	HMDB0000239
Riboflavin	C00255	HMDB0000244
Serine	C00065	HMDB0000187
Serotonin	C00780	HMDB0000259
Spermine	C00750	HMDB0001256
Taurine	C00245	HMDB0000251
Thiamine	C00378	HMDB0000235
Threonine	C00188	HMDB0000167
Thyroxine	C01829	HMDB0000248
trans-hydroxyproline	C01157	HMDB0000725
Triiodothyronine	C02465	HMDB0000265
Trimethylamine	C00565	HMDB0000906
Trimethylamine N-oxide	C01104	HMDB0000925
Tryptophan	C00078	HMDB0000929
Tyrosine	C00082	HMDB0000158
Uridine	C00299	HMDB0000296
Valine	C00183	HMDB0000883
METABOLITES_END
#END