#METABOLOMICS WORKBENCH bhun7404_20230523_174313 DATATRACK_ID:4038 STUDY_ID:ST002716 ANALYSIS_ID:AN004403 PROJECT_ID:PR001684
VERSION             	1
CREATED_ON             	May 30, 2023, 10:43 am
#PROJECT
PR:PROJECT_TITLE                 	Ventricle-specific myocardial protein and metabolite characterisation in healthy
PR:PROJECT_TITLE                 	humans, with differential regulation in end-stage cardiomyopathies
PR:PROJECT_SUMMARY               	The left and right ventricles of the human heart are functionally and
PR:PROJECT_SUMMARY               	developmentally distinct such that genetic or acquired insults can cause
PR:PROJECT_SUMMARY               	dysfunction in one or both ventricles resulting in heart failure. First, we
PR:PROJECT_SUMMARY               	performed unbiased quantitative mass spectrometry on the myocardium of 25-27
PR:PROJECT_SUMMARY               	pre-mortem cryopreserved non-diseased human hearts to compare the metabolome and
PR:PROJECT_SUMMARY               	proteome between the normal left and right ventricles. Constituents of
PR:PROJECT_SUMMARY               	gluconeogenesis, glycolysis, lipogenesis, lipolysis, fatty acid catabolism, the
PR:PROJECT_SUMMARY               	citrate cycle and oxidative phosphorylation were down-regulated in the left
PR:PROJECT_SUMMARY               	ventricle, while glycogenesis, pyruvate and ketone metabolism were up-regulated.
PR:PROJECT_SUMMARY               	Inter-ventricular significance of these metabolic pathways was then found to be
PR:PROJECT_SUMMARY               	diminished within end-stage dilated cardiomyopathy and ischaemic cardiomyopathy
PR:PROJECT_SUMMARY               	(n = 30-33), while heart failure-associated pathways were increased in the left
PR:PROJECT_SUMMARY               	ventricle relative to the right within ischaemic cardiomyopathy, such as fluid
PR:PROJECT_SUMMARY               	sheer-stress, increased glutamine to glutamate ratio, and down-regulation of
PR:PROJECT_SUMMARY               	contractile proteins indicating a left ventricular pathological bias.
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                   	Ventricle-specific myocardial protein and metabolite characterisation in healthy
ST:STUDY_TITLE                   	humans, with differential regulation in end-stage cardiomyopathies (Part 1)
ST:STUDY_SUMMARY                 	The left and right ventricles of the human heart are functionally and
ST:STUDY_SUMMARY                 	developmentally distinct such that genetic or acquired insults can cause
ST:STUDY_SUMMARY                 	dysfunction in one or both ventricles resulting in heart failure. First, we
ST:STUDY_SUMMARY                 	performed unbiased quantitative mass spectrometry on the myocardium of 25-27
ST:STUDY_SUMMARY                 	pre-mortem cryopreserved non-diseased human hearts to compare the metabolome and
ST:STUDY_SUMMARY                 	proteome between the normal left and right ventricles. Constituents of
ST:STUDY_SUMMARY                 	gluconeogenesis, glycolysis, lipogenesis, lipolysis, fatty acid catabolism, the
ST:STUDY_SUMMARY                 	citrate cycle and oxidative phosphorylation were down-regulated in the left
ST:STUDY_SUMMARY                 	ventricle, while glycogenesis, pyruvate and ketone metabolism were up-regulated.
ST:STUDY_SUMMARY                 	Inter-ventricular significance of these metabolic pathways was then found to be
ST:STUDY_SUMMARY                 	diminished within end-stage dilated cardiomyopathy and ischaemic cardiomyopathy
ST:STUDY_SUMMARY                 	(n = 30-33), while heart failure-associated pathways were increased in the left
ST:STUDY_SUMMARY                 	ventricle relative to the right within ischaemic cardiomyopathy, such as fluid
ST:STUDY_SUMMARY                 	sheer-stress, increased glutamine to glutamate ratio, and down-regulation of
ST:STUDY_SUMMARY                 	contractile proteins indicating a left ventricular pathological bias.
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: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           	Donor21	Raw_SmpID_9	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=83; 2018_Mass_Spec ID=1; RAW_FILE_NAME=83_1
SUBJECT_SAMPLE_FACTORS           	ICM9	Raw_SmpID_32	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=22; 2018_Mass_Spec ID=2; RAW_FILE_NAME=22_2
SUBJECT_SAMPLE_FACTORS           	ICM11	Raw_SmpID_33	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=2; 2018_Mass_Spec ID=3; RAW_FILE_NAME=2_3
SUBJECT_SAMPLE_FACTORS           	Donor18	Raw_SmpID_5	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=37; 2018_Mass_Spec ID=4; RAW_FILE_NAME=37_4
SUBJECT_SAMPLE_FACTORS           	ICM11	Raw_SmpID_34	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=3; 2018_Mass_Spec ID=6; RAW_FILE_NAME=3_6
SUBJECT_SAMPLE_FACTORS           	ICM4	Raw_SmpID_35	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=94; 2018_Mass_Spec ID=7; RAW_FILE_NAME=94_7
SUBJECT_SAMPLE_FACTORS           	Donor20	Raw_SmpID_4	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=29; 2018_Mass_Spec ID=8; RAW_FILE_NAME=29_8
SUBJECT_SAMPLE_FACTORS           	ICM8	Raw_SmpID_36	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=24; 2018_Mass_Spec ID=10; RAW_FILE_NAME=24_10
SUBJECT_SAMPLE_FACTORS           	ICM16	Raw_SmpID_27	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=79; 2018_Mass_Spec ID=11; RAW_FILE_NAME=79_11
SUBJECT_SAMPLE_FACTORS           	ICM12	Raw_SmpID_37	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=70; 2018_Mass_Spec ID=13; RAW_FILE_NAME=70_13
SUBJECT_SAMPLE_FACTORS           	Donor14	Raw_SmpID_12	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=20; 2018_Mass_Spec ID=14; RAW_FILE_NAME=20_14
SUBJECT_SAMPLE_FACTORS           	Donor25	Raw_SmpID_1	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=78; 2018_Mass_Spec ID=15; RAW_FILE_NAME=78_15
SUBJECT_SAMPLE_FACTORS           	ICM12	Raw_SmpID_43	Condition:ICM | Location:RV	Year=2018; 2018_Run_position=57; 2018_Mass_Spec ID=17; RAW_FILE_NAME=57_17
SUBJECT_SAMPLE_FACTORS           	ICM11	Raw_SmpID_44	Condition:ICM | Location:RV	Year=2018; 2018_Run_position=19; 2018_Mass_Spec ID=18; RAW_FILE_NAME=19_18
SUBJECT_SAMPLE_FACTORS           	DCM13	Raw_SmpID_47	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=4; 2018_Mass_Spec ID=19; RAW_FILE_NAME=4_19
SUBJECT_SAMPLE_FACTORS           	DCM5	Raw_SmpID_48	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=50; 2018_Mass_Spec ID=20; RAW_FILE_NAME=50_20
SUBJECT_SAMPLE_FACTORS           	Donor14	Raw_SmpID_26	Condition:Donor | Location:RV	Year=2018; 2018_Run_position=92; 2018_Mass_Spec ID=21; RAW_FILE_NAME=92_21
SUBJECT_SAMPLE_FACTORS           	DCM10	Raw_SmpID_64	Condition:DCM | Location:RV	Year=2018; 2018_Run_position=14; 2018_Mass_Spec ID=22; RAW_FILE_NAME=14_22
SUBJECT_SAMPLE_FACTORS           	DCM6	Raw_SmpID_53	Condition:DCM | Location:RV	Year=2018; 2018_Run_position=18; 2018_Mass_Spec ID=23; RAW_FILE_NAME=18_23
SUBJECT_SAMPLE_FACTORS           	DCM13	Raw_SmpID_52	Condition:DCM | Location:RV	Year=2018; 2018_Run_position=59; 2018_Mass_Spec ID=24; RAW_FILE_NAME=59_24
SUBJECT_SAMPLE_FACTORS           	Donor18	Raw_SmpID_23	Condition:Donor | Location:RV	Year=2018; 2018_Run_position=72; 2018_Mass_Spec ID=25; RAW_FILE_NAME=72_25
SUBJECT_SAMPLE_FACTORS           	ICM9	Raw_SmpID_45	Condition:ICM | Location:RV	Year=2018; 2018_Run_position=27; 2018_Mass_Spec ID=28; RAW_FILE_NAME=27_28
SUBJECT_SAMPLE_FACTORS           	Donor21	Raw_SmpID_24	Condition:Donor | Location:RV	Year=2018; 2018_Run_position=87; 2018_Mass_Spec ID=29; RAW_FILE_NAME=87_29
SUBJECT_SAMPLE_FACTORS           	Donor20	Raw_SmpID_25	Condition:Donor | Location:RV	Year=2018; 2018_Run_position=68; 2018_Mass_Spec ID=30; RAW_FILE_NAME=68_30
SUBJECT_SAMPLE_FACTORS           	DCM5	Raw_SmpID_54	Condition:DCM | Location:RV	Year=2018; 2018_Run_position=55; 2018_Mass_Spec ID=31; RAW_FILE_NAME=55_31
SUBJECT_SAMPLE_FACTORS           	DCM7	Raw_SmpID_55	Condition:DCM | Location:RV	Year=2018; 2018_Run_position=84; 2018_Mass_Spec ID=32; RAW_FILE_NAME=84_32
SUBJECT_SAMPLE_FACTORS           	ICM16	Raw_SmpID_42	Condition:ICM | Location:RV	Year=2018; 2018_Run_position=49; 2018_Mass_Spec ID=33; RAW_FILE_NAME=49_33
SUBJECT_SAMPLE_FACTORS           	DCM10	Raw_SmpID_57	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=13; 2018_Mass_Spec ID=34; RAW_FILE_NAME=13_34
SUBJECT_SAMPLE_FACTORS           	DCM7	Raw_SmpID_49	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=63; 2018_Mass_Spec ID=35; RAW_FILE_NAME=63_35
SUBJECT_SAMPLE_FACTORS           	Donor3	Raw_SmpID_13	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=48; 2018_Mass_Spec ID=36; RAW_FILE_NAME=48_36
SUBJECT_SAMPLE_FACTORS           	DCM1	Raw_SmpID_50	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=82; 2018_Mass_Spec ID=37; RAW_FILE_NAME=82_37
SUBJECT_SAMPLE_FACTORS           	Donor17	Raw_SmpID_2	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=8; 2018_Mass_Spec ID=38; RAW_FILE_NAME=8_38
SUBJECT_SAMPLE_FACTORS           	Donor27	Raw_SmpID_3	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=89; 2018_Mass_Spec ID=39; RAW_FILE_NAME=89_39
SUBJECT_SAMPLE_FACTORS           	Donor13	Raw_SmpID_14	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=12; 2018_Mass_Spec ID=40; RAW_FILE_NAME=12_40
SUBJECT_SAMPLE_FACTORS           	DCM3	Raw_SmpID_51	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=64; 2018_Mass_Spec ID=43; RAW_FILE_NAME=64_43
SUBJECT_SAMPLE_FACTORS           	Donor4	Raw_SmpID_15	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=88; 2018_Mass_Spec ID=44; RAW_FILE_NAME=88_44
SUBJECT_SAMPLE_FACTORS           	Donor2	Raw_SmpID_16	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=90; 2018_Mass_Spec ID=45; RAW_FILE_NAME=90_45
SUBJECT_SAMPLE_FACTORS           	ICM1	Raw_SmpID_46	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=28; 2018_Mass_Spec ID=47; RAW_FILE_NAME=28_47
SUBJECT_SAMPLE_FACTORS           	DCM11	Raw_SmpID_56	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=43; 2018_Mass_Spec ID=48; RAW_FILE_NAME=43_48
SUBJECT_SAMPLE_FACTORS           	ICM18	Raw_SmpID_28	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=42; 2018_Mass_Spec ID=49; RAW_FILE_NAME=42_49
SUBJECT_SAMPLE_FACTORS           	Donor20	Raw_SmpID_11	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=60; 2018_Mass_Spec ID=50; RAW_FILE_NAME=60_50
SUBJECT_SAMPLE_FACTORS           	Donor5	Raw_SmpID_17	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=9; 2018_Mass_Spec ID=52; RAW_FILE_NAME=9_52
SUBJECT_SAMPLE_FACTORS           	Donor18	Raw_SmpID_10	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=80; 2018_Mass_Spec ID=53; RAW_FILE_NAME=80_53
SUBJECT_SAMPLE_FACTORS           	Donor11	Raw_SmpID_18	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=47; 2018_Mass_Spec ID=54; RAW_FILE_NAME=47_54
SUBJECT_SAMPLE_FACTORS           	DCM14	Raw_SmpID_58	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=25; 2018_Mass_Spec ID=55; RAW_FILE_NAME=25_55
SUBJECT_SAMPLE_FACTORS           	Donor23	Raw_SmpID_6	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=67; 2018_Mass_Spec ID=56; RAW_FILE_NAME=67_56
SUBJECT_SAMPLE_FACTORS           	DCM9	Raw_SmpID_60	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=17; 2018_Mass_Spec ID=57; RAW_FILE_NAME=17_57
SUBJECT_SAMPLE_FACTORS           	ICM5	Raw_SmpID_38	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=44; 2018_Mass_Spec ID=59; RAW_FILE_NAME=44_59
SUBJECT_SAMPLE_FACTORS           	DCM8	Raw_SmpID_61	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=23; 2018_Mass_Spec ID=60; RAW_FILE_NAME=23_60
SUBJECT_SAMPLE_FACTORS           	Donor26	Raw_SmpID_7	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=39; 2018_Mass_Spec ID=61; RAW_FILE_NAME=39_61
SUBJECT_SAMPLE_FACTORS           	ICM16	Raw_SmpID_29	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=52; 2018_Mass_Spec ID=62; RAW_FILE_NAME=52_62
SUBJECT_SAMPLE_FACTORS           	Donor14	Raw_SmpID_19	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=33; 2018_Mass_Spec ID=63; RAW_FILE_NAME=33_63
SUBJECT_SAMPLE_FACTORS           	DCM10	Raw_SmpID_59	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=45; 2018_Mass_Spec ID=65; RAW_FILE_NAME=45_65
SUBJECT_SAMPLE_FACTORS           	ICM10	Raw_SmpID_39	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=54; 2018_Mass_Spec ID=66; RAW_FILE_NAME=54_66
SUBJECT_SAMPLE_FACTORS           	DCM2	Raw_SmpID_62	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=73; 2018_Mass_Spec ID=67; RAW_FILE_NAME=73_67
SUBJECT_SAMPLE_FACTORS           	ICM19	Raw_SmpID_30	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=38; 2018_Mass_Spec ID=68; RAW_FILE_NAME=38_68
SUBJECT_SAMPLE_FACTORS           	ICM13	Raw_SmpID_31	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=34; 2018_Mass_Spec ID=69; RAW_FILE_NAME=34_69
SUBJECT_SAMPLE_FACTORS           	Donor12	Raw_SmpID_20	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=30; 2018_Mass_Spec ID=70; RAW_FILE_NAME=30_70
SUBJECT_SAMPLE_FACTORS           	ICM4	Raw_SmpID_40	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=74; 2018_Mass_Spec ID=71; RAW_FILE_NAME=74_71
SUBJECT_SAMPLE_FACTORS           	ICM3	Raw_SmpID_41	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=7; 2018_Mass_Spec ID=72; RAW_FILE_NAME=7_72
SUBJECT_SAMPLE_FACTORS           	DCM4	Raw_SmpID_63	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=93; 2018_Mass_Spec ID=73; RAW_FILE_NAME=93_73
SUBJECT_SAMPLE_FACTORS           	Donor8	Raw_SmpID_21	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=75; 2018_Mass_Spec ID=75; RAW_FILE_NAME=75_75
SUBJECT_SAMPLE_FACTORS           	Donor1	Raw_SmpID_22	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=69; 2018_Mass_Spec ID=76; RAW_FILE_NAME=69_76
SUBJECT_SAMPLE_FACTORS           	Donor16	Raw_SmpID_8	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=62; 2018_Mass_Spec ID=77; RAW_FILE_NAME=62_77
#COLLECTION
CO:COLLECTION_SUMMARY            	Donated human myocardium. Refer to uploaded acquisition methods.
CO:COLLECTION_PROTOCOL_FILENAME  	LVvsRV_Metabolomics_Methods_2018.docx
CO:SAMPLE_TYPE                   	Heart
CO:STORAGE_CONDITIONS            	Described in summary
#TREATMENT
TR:TREATMENT_SUMMARY             	Human myocardial tissue from the left ventricle was compared to the right
TR:TREATMENT_SUMMARY             	ventricle within three conditions; non-diseased donors, ischaemic
TR:TREATMENT_SUMMARY             	cardiomyopathy, and dilated cardiomyopathy, but not between the different
TR:TREATMENT_SUMMARY             	conditions.
TR:TREATMENT_PROTOCOL_FILENAME   	LVvsRV_Metabolomics_Methods_2018.docx
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Refer to the uploaded methods file.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	LVvsRV_Metabolomics_Methods_2018.docx
#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                     	0.1% Formic acid in 10 mM Ammonium Formate (pH ~2.5)
CH:SOLVENT_B                     	0.1% Formic Acid in Acetonitrile
CH:FLOW_GRADIENT                 	HPLC gradient: The HPLC gradient program begins with an initial condition of 5%
CH:FLOW_GRADIENT                 	solvent A and 95% solvent B, with a flow rate of 0.25 mL/min, which is held for
CH:FLOW_GRADIENT                 	0.5 minutes to establish system equilibration. The gradient then proceeds as
CH:FLOW_GRADIENT                 	follows: at 6 minutes, the mobile phase composition shifts to 60% solvent A and
CH:FLOW_GRADIENT                 	40% solvent B for 3minutes; at 10 minutes, it changes back to 5% solvent A and
CH:FLOW_GRADIENT                 	95% solvent B; at 11 minutes, the flow rate increases to 0.4 mL/min while
CH:FLOW_GRADIENT                 	maintaining a composition of 5% solvent A and 95% solvent B for a duration of
CH:FLOW_GRADIENT                 	12.5 minutes; 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
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	LVvsRV_Metabolomics_Methods_2018.docx
#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	Raw_SmpID_1	Raw_SmpID_2	Raw_SmpID_3	Raw_SmpID_11	Raw_SmpID_10	Raw_SmpID_6	Raw_SmpID_7	Raw_SmpID_8	Raw_SmpID_9	Raw_SmpID_5	Raw_SmpID_4	Raw_SmpID_12	Raw_SmpID_13	Raw_SmpID_14	Raw_SmpID_15	Raw_SmpID_16	Raw_SmpID_17	Raw_SmpID_18	Raw_SmpID_19	Raw_SmpID_20	Raw_SmpID_21	Raw_SmpID_22	Raw_SmpID_23	Raw_SmpID_24	Raw_SmpID_25	Raw_SmpID_26	Raw_SmpID_27	Raw_SmpID_28	Raw_SmpID_29	Raw_SmpID_30	Raw_SmpID_31	Raw_SmpID_32	Raw_SmpID_33	Raw_SmpID_34	Raw_SmpID_35	Raw_SmpID_36	Raw_SmpID_37	Raw_SmpID_38	Raw_SmpID_39	Raw_SmpID_40	Raw_SmpID_41	Raw_SmpID_42	Raw_SmpID_43	Raw_SmpID_44	Raw_SmpID_45	Raw_SmpID_46	Raw_SmpID_47	Raw_SmpID_48	Raw_SmpID_49	Raw_SmpID_50	Raw_SmpID_51	Raw_SmpID_52	Raw_SmpID_53	Raw_SmpID_54	Raw_SmpID_55	Raw_SmpID_56	Raw_SmpID_57	Raw_SmpID_58	Raw_SmpID_59	Raw_SmpID_60	Raw_SmpID_61	Raw_SmpID_62	Raw_SmpID_63	Raw_SmpID_64
Factors	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:RV	Condition:Donor | Location:RV	Condition:Donor | Location:RV	Condition:Donor | Location:RV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:RV	Condition:ICM | Location:RV	Condition:ICM | Location:RV	Condition:ICM | Location:RV	Condition:ICM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:RV	Condition:DCM | Location:RV	Condition:DCM | Location:RV	Condition:DCM | Location:RV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:RV
1-methylhistamine	0.934650216	0.995310545	0.996728843	1.033161164	1.040400481	0.906392337	1.109514454	1.013641456	0.955002651	1.180827156	0.951142647	0.998070018	0.939045432	1.050656672	0.816883897	1.060587888	1.072349346	0.991501809	0.904940481	0.958544315	0.990933557	0.90361627	1.019076737	0.916773104	0.898566139	0.962316995	0.906568081	1.042479429	1.133224143	1.042989263	1.160570742	1.03235956	1.081149849	1.005175852	0.947430446	0.91573197	0.989960323	1.013415154	0.951289236	0.915396271	0.931751005	0.952620098	0.885022031	1.031918655	1.099367932	1.105778426	0.916429354	0.964572002	1.08844999	0.934628157	0.741947587	0.985134896	1.044788172	0.882562975	0.86204976	0.94872807	1.066892876	1.037238064	1.156203436	1.013893664	0.989308659	0.938744507	0.997025871	1.004711975
2'-deoxyadenosine	0.382104024	0.964449286	0.850287568	0.480715014	0.80136854	0.990061208	1.707559932	0.450419905	1.07236183	1.003740021	3.023985248	1.064789407	0.682441282	1.789994149	0.558649726	0.458829574	2.31377245	0.341991138	2.885480719	2.618337058	0.94395018	1.576612587	1.455877235	0.750460484	2.024383182	1.778556647	0.756536472	3.598393551	0.736332156	2.588377733	2.806099227	3.722899794	0.716003421	0.884204704	1.051229353	1.958031154	1.992910918	0.704666982	0.713179917	1.848308669	0.796549534	0.439698179	0.461225794	4.252440723	1.747620756	1.688266176	0.571498905	0.614702591	0.358724449	1.538038977	1.186411157	0.993640969	2.490725671	0.544311507	1.920399564	1.110103907	1.860571181	2.253868898	1.448035434	3.948941222	1.927744347	1.973107806	2.099854019	1.866929981
2'-deoxycytidine	0.281952562	0.532553234	0.405646176	0.697581567	0.306980573	2.678156707	0.152869504	1.2813851	0.254201379	0.397454481	1.116040442	0.433333639	0.352338042	0.73725095	0.243524587	0.535472163	0.611193356	0.398611739	0.054502252	0.36898263	0.572678668	0.33055106	1.433629179	0.275777606	1.283715014	0.266284752	1.470486185	0.462985825	1.963725362	1.013998657	3.150119999	0.964867164	1.886797769	2.203562601	4.391026635	2.517382373	4.541124094	2.369375556	2.860915266	1.077927254	1.300279225	0.640001385	4.157832887	3.138891701	0.630019283	0.914401171	1.64524257	0.843610046	3.637540899	1.544871054	0.719908268	1.515399702	1.632855492	0.618920971	1.741175429	0.374876109	1.423739547	1.372420294	0.550203941	0.818500249	1.83522192	1.099947422	0.645238984	1.131271225
2-Methylbutyroylcarnitine	2.4944203	0.295726784	6.20237518	12.84831032	2.963779187	1.51374087	10.02852114	0.558095879	0.476500307	3.022704873	21.35210213	1.242712318	0.626524183	4.924660548	4.15030618	0.746134028	0.493349639	0.437294206	1.105931589	0.496175393	2.903514245	0.134516787	2.011259446	0.306890643	1.754512976	0.910673804	0.302147673	0.103088759	0.488002219	0.057594963	0.233132821	0.032667435	0.092469382	0.134968369	0.11280516	0.183303806	0.124161273	0.315002771	0.079864177	0.085062054	0.110191314	0.206236686	0.153849043	0.12374058	0.032449079	0.0680449	0.173256174	0.090453739	0.212833895	0.223797029	0.117037419	0.105103391	0.139640675	0.044601517	0.215766204	0.122161104	0.134774556	0.064551935	0.085176157	0.157513958	0.099854993	0.036413994	0.107754143	0.07133406
3-Methyl-2-oxovaleric acid	1.144115721	0.941607614	0.931300889	1.011415501	1.623704395	0.830817561	0.72293787	0.75783728	1.172110868	0.959657146	0.827330555	1.042833198	0.882573531	1.079197504	1.010361037	0.998549435	0.965721641	0.746857133	0.831992983	1.01237479	0.865281225	1.092817386	0.951383003	0.876776801	0.878949528	1.110694556	1.512036773	0.733257281	0.611680769	0.948063783	0.821788998	0.834078723	0.923333965	0.733237464	0.989093365	0.659153703	0.851121566	0.743744617	0.822494143	1.206396702	1.152416641	1.0617788	0.967355718	0.687368194	1.068447234	0.956847001	0.476159477	0.986046411	1.021738313	1.426502175	1.240849588	1.037156118	0.998901838	0.858754111	0.956226033	0.66205119	1.173363706	0.889666181	0.806588797	1.029861516	0.843837076	0.887231321	0.80658431	0.936302268
5-Aminolevulinic Acid	1.603761416	0.995771335	1.823387672	1.140454178	0.976577404	1.477168561	0.848810239	1.254448984	1.121724845	1.264388885	1.489077267	1.226494405	1.28591189	0.98536481	1.536237244	1.450932468	1.114511206	1.161696835	1.17859916	1.30653273	0.719539478	1.016938938	1.6170515	1.07602721	1.156653697	1.164791759	0.996795059	0.73403465	1.054592544	1.010952348	1.100333343	0.594361908	1.091344981	1.251363736	1.333955929	1.542099572	1.194956611	1.08349837	1.098405337	0.527873541	0.785108597	0.951757276	1.292801283	1.365603592	0.74607982	0.657833102	1.253619678	0.980304317	1.067949208	0.906907903	0.584402413	0.951597461	1.083968186	1.010988192	0.944806141	0.862279811	0.764814118	0.965187771	0.478377355	0.688461512	0.873753804	0.886497789	0.852769529	0.767174686
5-hydroxyindoleacetic acid	1.128330217	1.092049514	1.426834813	0.329009682	4.476113503	0.726705917	0.769619325	0.948210922	0.95212668	2.649370342	0.207436168	1.008400281	1.879246642	0.426941016	0.659714415	1.681137294	0.859396281	1.306526569	1.084170209	0.683304006	1.480157823	2.05673628	11.17081326	1.464759201	0.53067743	0.844711619	0.680988923	0.312593654	1.348368417	0.784218841	1.114188548	0.509578381	0.319328254	0.355449149	0.299244805	0.857910548	0.892683369	0.84911147	0.637829333	0.738587298	0.63710936	0.87206764	0.612045933	0.506745467	0.456620789	0.511490847	0.637325786	0.876690662	0.459401424	0.644656544	0.44030221	0.294341164	0.747283168	0.546635869	0.558673118	0.587516311	0.533501298	0.551204663	1.43387258	0.53820349	0.731182891	0.857042905	0.399095137	0.723737113
5-Hydroxyindoleacetic acid	2.655244181	1.057021378	1.738471225	0.807360229	1.299171805	1.146510838	0.748992321	1.035967738	2.324361129	1.289374953	1.34756123	0.867359503	1.111850775	1.156247444	1.563838185	1.428704813	1.306503695	0.970807767	1.027422241	0.972818496	0.762615981	0.926449622	1.401811105	1.117871537	1.363904424	0.919694131	2.178048002	0.9370668	1.191502151	0.824503447	1.045963933	0.761583167	1.085328648	1.150053589	1.382821546	1.209489726	1.137379982	1.521962896	1.254388788	1.186963353	1.138690029	0.730829482	1.136049197	1.038438363	0.813986323	0.981407235	1.350674848	0.823227703	1.250858897	3.070596824	0.759208778	0.833627546	1.066571038	0.718754538	0.786301505	0.405963387	1.287819451	1.077886565	1.026079052	0.703220938	1.077794143	0.752916185	1.050229024	1.276273644
Acetoacetic acid	1.026446584	0.526434196	1.226094314	0.625587862	1.328820953	1.385026482	0.608015405	1.848555291	0.598916281	1.026715584	0.491433474	0.691271666	0.799583164	0.755049404	2.732355473	0.836583934	0.242434214	0.363836413	0.708900359	0.140651978	0.912281433	0.616637851	0.900557391	0.621386067	0.616051916	1.08153778	0.798716557	0.198975952	0.678568482	0.452212813	0.811260238	0.470859842	1.43888082	1.454089959	2.207232499	1.219789819	1.34777022	0.697574147	1.4614702	1.201862453	0.97661012	0.549201914	1.300155575	1.136841046	0.813556983	0.929066851	0.749074418	1.600888054	0.948615078	0.502803214	0.870260011	1.282817782	1.451650168	2.198302095	1.166681695	0.189776047	0.947829256	0.870120498	0.673290881	1.088065406	0.537933625	0.376960594	0.583905887	0.835364056
Acetoacetic Acid	1.197004471	0.963864628	1.158050828	1.172254921	0.915977394	1.35343679	1.098674031	1.060031937	0.864296641	1.159760901	1.209740471	1.52548186	0.874096598	1.102827532	1.373290166	1.305101922	1.174566937	1.495740978	0.995265041	1.227840325	1.234584551	0.930497815	1.467313472	1.224187332	1.152794816	1.110220977	1.069806916	0.747096211	1.051726507	1.106365634	0.843075381	0.900204952	1.203792518	1.212440579	0.991231603	1.243043518	1.205018819	1.096653119	0.987762015	0.630455723	1.13393483	1.243233596	1.120812353	1.50677391	0.837211287	1.060072097	1.318684957	0.892268686	1.003840683	0.579681869	0.779376049	1.170516526	1.327711256	0.895982427	0.961403528	0.75365489	0.927197171	0.80602285	0.600538611	0.973757411	1.236806082	0.937331488	0.601417382	0.97823868
Acetylcarnitine	1.681216065	0.963777616	1.663358496	0.867811161	0.964285126	1.381268297	0.989898179	1.262950838	0.798190035	1.338850578	1.097887499	1.475284924	1.224707526	0.981310505	1.331078523	1.595063557	1.155350244	1.120222747	1.317544788	1.204896505	0.829520499	0.824139046	1.409892246	1.092776518	1.079490718	1.365406992	1.081539357	0.669218767	1.345498286	0.969292241	0.956839139	0.618814948	1.186853146	1.257550511	1.399244012	1.508146387	1.219947109	1.447097334	1.29373475	0.653301899	0.957750689	1.053576403	1.092633055	1.26206013	0.739723294	0.684128988	1.603920613	0.867619744	1.265590247	0.795628142	0.748972725	1.183838028	1.164616025	0.895671142	1.093485055	0.684464298	1.003648041	0.85733964	0.617298423	0.723924222	1.004786734	0.704113962	0.800558728	1.037646248
Acetylcholine	3.531598994	0.824967304	2.335121691	0.694039228	0.681375728	1.441660615	0.562172841	1.036896726	0.861121205	1.190849374	1.15280427	1.769477148	2.126158669	0.912500203	2.431193349	2.551729693	1.222946755	1.48712915	1.636345421	1.425320653	0.763030901	0.865017412	1.582509406	1.099137194	0.884840934	1.639638369	0.846271466	0.354622411	1.019305134	0.594040859	0.531547577	0.386058437	1.601788307	1.811440971	2.124828619	2.962810574	1.474757864	1.517436223	1.48610586	0.540245642	1.183196206	0.925719349	1.524005445	2.126292149	0.543627312	0.619827018	1.631074217	1.250231188	1.022412025	0.323783606	0.362205384	0.764184354	1.336469682	1.603656301	1.110723457	0.676405499	1.025999997	0.85403404	0.539859734	0.607068077	1.157172484	0.613979263	0.520281916	1.012603168
Adenosine	0.557344777	0.340635559	0.862307109	0.261696201	0.311978215	1.312278576	0.273542602	1.154492552	0.112016129	0.582908664	0.43898962	1.71831259	0.67823243	0.309577653	0.611834258	1.403943558	1.154647205	0.454453867	1.355070264	0.28231312	0.267881581	0.241765656	2.511155849	0.446029496	0.447576682	1.830368839	1.610906702	1.175455127	1.68397884	1.003735642	1.616656899	0.924133347	1.076778897	1.339224808	1.416585034	1.433356607	1.847847423	2.125821434	2.223787795	1.239799536	0.659462636	0.666030131	1.248332891	1.01831036	0.137653305	0.460641544	1.641853998	0.797623745	1.424614622	1.525834025	0.449822652	0.719343359	0.843414175	1.147967444	0.524375091	0.371121482	0.708910007	1.205692821	0.858174095	0.817119633	2.014201834	0.610414491	0.868974368	0.691684385
Alanine	1.736007374	0.950445361	1.53257776	1.101880581	1.338442437	1.43237577	0.882134575	1.289121559	1.283659313	1.659031396	1.609840578	1.306696197	0.830857334	1.375041613	1.56286856	1.302563745	0.984247164	0.899999756	1.186260039	1.124224771	0.842900599	0.411568857	1.511283231	0.984929289	1.026107498	0.999806854	0.837644418	0.456487927	0.970758736	0.784091119	0.904778053	0.776619377	0.849164379	0.970081533	1.458003873	1.016619232	1.271849235	1.199016008	1.498178123	0.421300043	0.95966407	0.906457113	1.703585567	1.221629597	0.614761345	0.461563566	1.406541624	0.86840131	1.178257219	0.824177739	0.303274166	0.918332479	1.093470545	0.812660065	0.886695437	0.539173945	0.677886384	0.662834568	0.557629607	0.752828998	1.025939018	0.401756839	0.545640006	0.779009127
Aminoadipic Acid	1.11617077	2.896585885	1.285570541	0.782194557	1.47485442	2.891006978	4.877034239	0.985499582	1.124864528	1.443370137	1.070806264	1.198578273	0.740306428	0.649419806	1.331538943	1.509795973	1.258779604	0.878328727	0.935851926	0.727689343	0.428037166	2.06902857	1.237882489	0.547058453	0.696210005	1.091607642	0.702961609	0.861312534	0.712517467	2.328442355	1.093772255	0.281787643	1.716298074	1.865498149	0.591133097	1.260786761	1.858257623	1.212660006	0.790683776	0.298428157	0.338521103	0.592825438	0.843716171	2.525879102	0.3243074	0.351041608	0.4264945	0.869533592	1.39411811	1.199294945	0.339474048	0.214043602	0.751579197	0.764270781	1.079822766	0.752232417	0.640894494	0.553213742	0.322281995	0.336903614	1.051294962	0.611673548	0.489886649	0.671379108
Anserine	0.146330973	0.304500151	1.123958664	1.576577495	1.096994603	2.019300946	1.148823236	2.288542893	1.194922982	2.68707097	2.730060551	0.609582755	0.542511799	0.282735654	0.546440577	1.371405135	1.01763976	0.473541845	0.637667859	1.112757204	0.146120837	0.1041087	2.667808154	1.162397484	1.44025745	0.460693558	1.016229025	0.705429676	1.11275306	0.403392137	1.463820389	1.032101213	0.580547358	0.762997153	1.703658804	3.297526944	1.832367416	1.391693052	9.489363653	0.364299541	0.65444301	0.748996709	2.645883781	1.057215172	0.886528686	0.690994785	0.775963136	1.658355357	1.366650317	0.145121393	0.487999779	0.374589853	1.939524728	1.430256525	0.899961446	0.434732079	1.437048974	0.81562963	0.733408493	0.612223032	0.683110573	1.260679736	1.83242019	1.520626255
Arginine	2.177106602	0.542760694	2.354163982	0.736373367	0.439983313	2.306438844	0.576210395	0.835563237	0.711226856	1.081421714	1.285103633	1.159665979	0.741055363	0.786448388	2.179330954	1.347397615	0.586748274	0.753793421	0.851645138	0.440224036	0.33957461	0.354875188	0.733481123	0.786007745	0.686063959	0.743636487	1.296172689	0.924230187	1.212057667	0.784820099	1.324519277	1.021741958	1.589881906	1.978620883	1.79974456	2.285789156	1.708642948	2.633996873	1.126311691	0.757373623	0.763392928	0.916537357	1.725705226	2.343874475	0.940752046	0.914195751	1.165379505	1.157179171	1.740506356	2.852470924	0.772290511	0.800507008	1.711200206	0.868071188	1.350238911	0.835188818	0.532281025	1.042454816	0.346403041	0.679726665	1.198486453	0.824290579	0.853842711	0.673032944
Asparagine	1.36007339	0.923462554	0.99746892	0.9020568	1.240617786	1.371059007	1.484766189	0.797722293	0.939378446	1.170878936	1.101628121	1.068154761	2.066361718	1.139214735	1.63534675	1.045894003	1.4044905	0.988045707	1.028181419	1.13982176	0.586022844	0.948703284	1.127091731	0.954684285	0.809927739	0.843543891	0.644214625	0.828518633	0.769773714	0.838174515	0.923934589	0.677171186	0.850773901	0.884980386	0.706539597	0.748703536	0.772610307	0.892397782	1.015489657	0.559110117	0.909006237	0.64797847	0.771064447	0.905015166	0.671631102	0.770929105	1.004789522	0.893126956	1.11855031	1.216533174	0.547879404	0.821269659	0.934880372	0.788953469	1.110184804	0.769103776	0.715693224	0.606447937	0.539042017	0.487329254	0.944933378	1.145943872	0.6789635	0.699055207
Aspartic acid	0.803378152	1.054702025	1.509071812	0.533270876	0.308505511	1.245821955	0.55634965	0.743476058	0.560623158	0.447938459	0.632406066	1.067664601	0.954400877	1.296620784	1.102897783	2.850773824	3.585553442	1.209706792	0.859876453	3.114389048	0.379095753	1.062577664	0.683121053	0.754304409	0.757118068	0.498718527	0.751604197	0.634850599	0.859888101	1.001462866	0.705399416	1.138590714	1.096073698	1.389327834	1.799079136	0.634997585	1.237910928	0.789600083	1.224256226	0.721661537	0.921109061	0.768410197	1.747706527	1.101169701	0.903456879	0.739468007	1.354401398	0.532474138	1.570312559	0.892027699	1.541639158	0.788190994	0.528580825	0.550049996	0.743904755	1.3352815	0.594024341	0.741047865	0.678704762	0.53551463	2.95715475	0.55729419	1.006969945	0.695796195
Asymmetric dimethylarginine	2.036807286	0.542506855	1.724160777	1.00410698	1.246700575	0.963788341	0.635140759	0.863575359	0.700646485	2.97295118	1.831900619	0.946469308	0.91446918	0.644651365	0.635842503	1.471874612	0.945969661	0.663625506	0.809550752	1.040447816	0.385689799	1.36980893	1.973586358	0.70635816	0.829551955	0.707294566	1.048754214	0.498956448	0.967693556	0.749200149	0.844189009	0.503831815	1.40604692	1.833144558	2.396580819	1.575877571	1.504096082	1.317522149	2.163290248	0.690427732	0.806071809	0.820509045	1.770938466	1.83520786	0.538378222	0.702938772	2.07505179	0.872661236	1.626701306	1.382361248	0.644686901	1.219937	0.903215799	0.718129354	0.897063843	0.687658774	0.817387327	1.214366195	0.475861491	0.517837038	1.550697426	0.650261634	1.182942642	0.822251897
beta-Alanine	1.61916255	1.612279174	1.349524529	0.648970739	1.249394441	0.83411148	0.910592778	1.355406826	0.99737474	1.448992241	0.757726897	0.886134605	0.936740879	1.109999689	1.257237576	0.65005595	0.99910846	0.886629405	0.795166862	0.822114556	1.106726287	0.633519333	1.027846683	1.413173421	0.756782334	0.621386539	1.304406326	1.319896953	1.050058376	1.362180732	1.125863951	0.549632188	0.749853827	0.964629541	0.831022238	1.206105484	0.696231525	1.012634458	1.011520946	0.640039069	0.758449365	0.81716454	1.203848088	0.894755295	1.003266677	0.818233709	1.260700248	1.020801727	1.029384946	1.630599208	0.79975578	1.176874873	0.875282322	0.889846458	0.756344769	0.913030618	0.909343275	0.464513747	0.624002314	0.945674252	0.811377077	0.790194001	0.572158714	0.773596908
Betaine	0.574085628	1.059957715	0.705032515	0.971357267	1.029188668	0.994534099	1.09853544	1.029776798	0.968197896	0.959825903	1.094774771	0.889851852	1.022047835	1.165925063	0.970293385	0.753884337	0.991350453	0.898932892	0.989270619	1.113115333	0.943932485	1.123913532	0.989233187	0.94284923	1.10110094	0.968071925	0.936409236	1.104138121	0.843487069	1.002047885	1.131995965	1.149846117	0.970741561	0.902672967	0.700411112	0.733566305	0.961331784	0.747639343	0.848334256	1.125400515	0.999065738	0.965426281	0.851527789	0.815728348	1.229923333	1.149520779	0.721663829	0.996358582	0.887457137	1.02695717	1.108057852	0.911289042	0.833636892	0.987257279	0.933061397	1.122125611	1.08393427	1.101831623	1.06412939	1.080752031	1.050788675	1.16973442	1.082473538	1.071170968
Butyrylcarnitine	1.323673955	1.034135959	1.42907952	1.042453876	1.124553415	1.180890793	0.963263239	1.180835126	0.995636744	1.272466064	1.211420831	1.141914009	1.064735735	1.04359389	1.247094185	1.155690765	0.949290687	0.899608412	1.117275837	1.068573747	1.049546672	0.837472484	1.253375569	1.029732731	1.128390707	1.128770932	0.957301015	0.870237215	1.016377496	0.878885914	0.965439692	0.648800329	0.98443784	1.016980782	1.161078786	1.191435685	1.114530286	0.994160574	1.043391808	0.894751598	0.945310391	0.922128577	1.00005242	1.009653948	0.642490828	0.752407067	1.055864083	1.019265229	0.942360914	0.740302378	0.740986083	0.950711579	1.078913339	1.004437225	0.973036843	0.646020806	0.920525614	0.995705203	0.699173413	0.841588323	0.904026765	0.670918639	0.740088826	0.896487907
Carnitine	1.199246494	0.884867168	1.168286342	0.966977719	0.876054687	1.050771437	0.999381184	0.983047527	0.889832542	0.976914351	1.06822006	1.086373164	1.056425521	1.000453895	1.066514003	1.13319475	1.005250485	1.145146419	1.005905944	1.071491332	0.963637516	0.900422007	1.13766421	0.991817804	0.988835898	1.069512707	1.016182076	0.775175622	1.083418908	0.987878313	0.866087393	0.777022911	1.115796555	1.189430938	1.121039034	1.160652332	1.048699636	1.195420182	1.040942331	0.694831669	1.025298846	1.119759955	1.072395259	1.235940142	0.933672774	1.026977607	1.27280838	0.887931179	0.962960861	0.784314556	0.75732482	1.022720528	1.063990753	1.002352732	0.976712294	0.909292649	0.843366332	0.899572743	0.696183352	0.769457791	1.016116046	0.935027892	0.829515031	0.862574501
Carnosine	0.941903163	0.41532662	1.091365178	1.097479128	0.627787863	0.969147461	0.854715833	1.231237425	0.488949651	1.958824695	1.77184396	0.342539324	3.336749226	0.723812017	0.686909999	2.995949448	0.487389703	0.34786038	0.479938291	0.550994419	0.168142727	1.01233054	1.501131939	0.555507998	0.947777745	0.30507654	1.815151831	2.114525331	0.958607891	0.254145861	1.134131905	3.000238676	0.828172535	1.203305899	0.855297262	0.983208865	1.646474451	0.697205531	1.80734251	0.767060718	0.603994946	1.160915936	3.558249566	1.511016415	1.163705886	1.589247714	1.261028321	0.665453206	1.907102673	1.126493224	0.452571679	0.598307145	1.120161121	0.396330292	0.693513848	0.697500886	0.561822184	0.779449352	0.653499438	0.5991313	2.152321268	0.427951893	1.724719022	0.618106363
Choline	1.433460703	0.889974233	1.634810065	0.223369562	0.130970657	0.533537167	0.215469321	0.822768106	0.449190128	0.312097349	0.339514043	0.749378534	2.636673695	0.224266463	0.589328469	0.570968653	0.368302066	0.314218348	0.664727897	0.271923168	0.415238061	0.40814925	0.766918081	0.521961126	0.374931882	0.545729648	0.779948199	0.671113667	0.802058914	0.804358142	0.69706878	0.888561667	1.26190218	1.567945414	1.187775824	1.174558489	2.280794727	1.448976324	1.534187901	0.862391264	1.053211923	0.684735625	2.835295396	1.592677059	0.946917217	1.012430072	1.532381229	1.337282113	1.376615185	1.664807383	0.700400111	1.20231548	1.745554569	1.262496125	0.903985965	0.520467373	0.845319164	1.077280681	0.634209964	0.599865708	1.057448383	0.603037173	1.130297754	0.727348719
Citrulline	0.757187018	0.284811363	0.549249794	0.37874062	0.392392773	0.303736723	0.487209385	1.919552044	1.288240408	0.375371812	0.600557943	0.429331728	0.196963363	0.840908609	0.170465621	1.705458181	0.987078487	0.272456194	0.390659266	0.319037687	0.235314147	0.177961892	0.233472829	0.558275943	0.205123428	0.119772243	0.670875513	1.303405661	0.701709789	1.430806824	0.870468726	0.996032943	3.053764292	2.85180757	0.848234018	8.755509968	1.801554551	1.126433168	1.938959454	0.756091696	0.535511084	0.519745317	1.48368816	3.219816292	1.032441539	1.068638624	0.299255395	1.294245316	2.355711569	2.136749194	1.546180916	0.295835415	0.747373008	0.985809669	1.197611087	0.901535965	0.997635352	1.602473298	0.521142087	0.614827645	0.950658122	2.301595197	0.799180175	0.913423898
Creatine	1.062687982	1.150995994	0.79116685	1.179595158	1.095672034	0.952773204	1.189165567	1.037473974	1.131359907	0.906983963	1.033463918	1.115114337	1.082166578	1.042771295	0.879292158	0.962264559	0.993544478	1.17199755	1.136031489	1.082700446	1.076010919	1.278960351	0.946442017	1.139614629	1.192744737	1.099909147	0.909461075	1.083125593	1.015395378	1.075974238	1.049464946	1.083457864	1.237097147	1.298188533	0.851625349	0.927801171	0.930830133	1.115649909	0.905436403	1.246997342	1.087840748	1.237581925	0.915079625	0.979021645	0.973270068	1.130570794	0.805895247	0.963138858	0.777282299	0.96670382	1.136770491	1.014896141	0.981247887	1.126663474	0.947154278	1.473224278	1.115898908	0.953803233	1.385118985	0.87665158	0.861322126	1.224465825	0.841331449	1.23418474
Cyclic AMP	1.460839829	1.44596315	2.928828792	0.79765323	1.421050092	1.537726009	0.572532734	1.255553294	1.268665839	2.360329591	1.359718667	2.164177885	0.858217257	1.637120206	1.375989682	2.777777323	1.462472724	0.580722625	2.004359591	0.781883649	1.132796532	0.806815435	2.742663171	1.05642839	0.84401022	2.597369768	0.855458556	1.203129391	0.970113689	0.788792921	0.853799802	0.686982093	0.887213551	1.22974463	1.819936958	1.070428428	1.188600469	0.954992044	1.584552688	0.894102606	0.689975416	0.474204703	1.413589435	1.410786165	0.533384261	0.61537361	1.079255101	0.693372858	1.878398545	1.354114794	0.39892307	0.639604989	0.742221702	0.837698328	1.157232388	0.68811259	0.740659309	0.902110811	0.455449668	0.633866982	1.667301237	0.688389343	0.683973128	0.708109823
Cystamine	1.454941687	0.131814701	0.142487297	0.467278483	0.809821412	0.149864416	0.194308546	0.083876413	0.41455008	1.10190924	0.638179713	0.076087141	0.349631637	0.487278279	0.065233394	0.521669635	0.311944941	0.232072131	0.069072858	0.614557643	0.077683488	0.743280106	1.126595337	0.320776652	0.46738857	0.056583529	0.431531661	0.465607492	0.474442544	0.512813284	0.787119262	0.417557898	0.732019141	0.924201047	0.704792906	0.814478327	2.388416024	3.323133575	2.57003979	0.469022336	0.790095223	0.381640218	2.291588428	0.88848032	0.401044645	0.762017806	2.136047664	0.641497157	1.702013751	2.205922311	1.212944272	1.715588258	0.899343178	0.638350574	1.217212868	3.007658058	2.833020091	0.788177927	2.165321472	0.608875863	2.14412374	1.139383997	1.562644446	2.720348411
Cysteamine	0.832817954	0.624477728	0.498795574	0.223663272	0.585956214	0.547737488	0.081525647	0.660936366	8.312681373	1.015260669	0.547045117	0.67749673	0.509360925	0.471157268	0.685247843	0.409497912	0.633149596	0.318628445	0.637015649	0.210141598	0.561487547	0.158874476	1.009845855	0.047555832	0.319070078	0.336060691	0.412917681	0.620072205	0.83216128	1.007479061	0.717735861	1.996674804	2.451459573	3.274345317	0.951323704	1.717447366	5.302568747	1.18141838	2.519536539	0.359998288	0.564183852	0.495400145	6.433710829	3.657710137	1.584449639	1.850285401	0.877339996	0.833157099	1.354218054	0.445230669	0.70585745	0.663928546	0.832766628	0.798484338	0.750661009	0.775848981	1.401387276	0.535286915	0.909523158	0.407680408	3.076576616	1.595509191	0.481359011	0.957656233
Cytidine	0.596993097	0.101823152	0.154542857	0.418105424	0.323831605	1.215962101	0.104655273	0.616394227	0.083551465	0.527013107	0.778489848	0.107016014	0.175329849	0.682033193	0.457495444	0.489924939	0.263160729	0.174507925	0.080979658	0.105764537	0.60170861	0.067125171	1.041651466	0.12700624	0.799094572	0.193192086	2.403692403	0.277791366	2.925135056	0.787642482	3.662333921	1.128994868	1.443127354	1.715597895	2.579681593	3.78846684	5.0928836	3.518753296	2.993088751	0.96844921	1.642546509	1.226774463	5.256096817	1.675367328	0.504369375	0.81002169	2.05850324	0.805605401	3.01805892	1.990839522	0.620408466	1.480831327	1.231626015	0.500328672	1.771457302	0.124038641	1.342363195	0.993547886	0.723920479	0.430678956	1.704809279	0.862763014	0.949020232	1.352608022
Cytosine	0.633990757	0.266071918	0.12542817	0.432647532	0.313603788	1.151205236	0.1128061	0.729182172	0.099439246	0.426479999	0.679999471	0.187326411	0.177591672	0.646835356	0.412702581	0.421411328	0.275429787	0.223921682	0.079875193	0.14467219	0.583626703	0.25507092	1.003133628	0.194670061	0.881274616	0.202899973	2.139870049	0.350045416	2.703050218	0.799440191	3.308446133	1.070640621	1.552949842	1.727843019	2.528059171	3.277060449	4.95768783	3.090339991	2.508525494	0.945040756	1.559474632	1.110913522	5.023317048	1.7568251	0.552738676	0.790216266	2.031215244	0.842978777	3.082910551	1.543570514	0.630684441	1.533128938	1.232814569	0.531661394	1.988323205	0.153015949	1.419127521	0.970141371	0.644762781	0.448760631	1.650492242	0.922880207	0.855164309	1.446549946
Dimethylguanidino valeric acid	1.89260695	0.581994951	0.273248102	0.774770415	0.958430337	0.426586789	0.455516936	0.363031508	0.961271461	1.7225837	1.301547863	0.146534416	0.270501811	0.884900673	0.411525365	0.290946277	0.322767939	0.426022947	0.295332271	0.575747071	0.231022769	0.75783904	1.421156283	0.291208983	0.630516663	0.288625672	0.612471205	0.361597627	0.528883314	0.278113114	0.311296017	1.929995935	0.548954337	0.316271938	0.558115113	0.529551165	0.838033611	2.06613956	0.942323686	0.761564852	0.452571728	0.45427206	1.29159831	0.605922576	1.342638887	1.751622025	1.587464381	0.657842293	0.483437412	9.90707621	2.215884377	1.376015883	0.657805233	0.617244446	0.98336413	0.797953426	0.578596649	1.155507538	1.052052773	1.745993009	2.224134527	0.701790925	2.449661828	0.742464266
Glutamic acid	0.918104605	1.361411238	1.313261471	0.987643229	0.513556468	1.159830872	0.764147905	1.009493894	1.16353706	0.711869134	1.081237536	1.210229839	1.190399283	0.844142703	1.065912258	1.274138165	0.888045027	0.980413172	1.11596018	0.924705788	0.356594534	1.085188466	0.667342311	1.077407331	0.796414065	0.949520724	1.275660741	0.687553437	1.211094144	0.800951958	1.211134913	0.973638333	1.112564016	1.22982737	1.348656151	1.242981843	1.278087744	1.035687424	0.940870952	0.84521596	1.112006112	1.06197946	1.241615518	1.20544161	0.836088601	0.945389764	1.013207386	0.850378937	1.240115111	1.119554471	0.763019914	0.834444105	0.933782716	0.578946834	1.008888893	0.969294875	1.015639928	1.049765821	0.835489893	0.713022576	1.326766152	0.946143929	1.061921066	1.018558092
Glutamine	1.680538294	0.85247475	1.409987474	0.870104475	1.075598109	1.124297147	1.02853775	1.404014873	0.955347519	1.159165883	1.327661618	1.151786642	1.117691118	0.885763236	1.067513019	1.793032689	1.353326023	1.025053398	1.22459361	0.936344665	0.594919143	0.978991995	1.004394709	1.034604568	0.819351778	0.882741734	1.348162597	0.504816097	1.360555256	1.023047028	1.16106922	0.616226897	1.350296147	1.485701265	1.339392698	1.503712557	1.377225038	1.39622265	1.06543876	0.554175127	0.746373245	1.160244655	1.29469369	1.581596259	0.737309117	0.697462261	1.199755239	1.240110633	1.11870057	1.008263316	0.514228416	0.927558909	1.325646552	1.180693332	0.966407505	0.842409018	0.86012693	1.057164998	0.524697436	0.701980423	1.367555293	0.942052078	0.777247718	0.825143368
Glycine	0.664183054	1.015601148	0.582393112	1.233461077	1.785772655	1.090416451	1.169212084	0.910971389	1.638122337	1.398264208	1.187862329	0.641056165	1.580908396	0.826043287	0.633564979	1.13529407	1.737580414	0.704219405	0.620656304	0.681403456	0.633200761	0.574459001	1.082263319	1.116416258	1.151106195	0.735427539	0.512009723	1.167828295	0.646954197	1.134309615	0.765555367	0.952528675	0.754191016	0.89657671	1.038934055	0.558186516	0.462844402	1.115482442	0.903529465	1.533383161	0.883018111	0.601232547	0.719295055	0.61966491	0.96084228	1.090495822	0.947386525	0.922145043	0.817526656	1.722285862	0.812867425	0.898402142	1.058724367	0.774575928	0.736166894	0.635719427	0.821869483	1.021608052	0.765705914	0.933104609	0.732394529	0.534538048	1.128217259	0.697261522
Histamine	0.867131763	0.696402334	3.721081882	0.509798219	0.446229211	0.991161732	0.394793743	0.395515413	1.252860033	1.227916001	0.563494623	0.532465316	0.325328509	0.5451305	1.113613863	0.39073646	0.670249708	0.39541264	0.48619893	0.545173139	0.605493577	0.622057794	0.584381082	0.880131122	0.438820237	0.28514076	0.465038278	0.95497658	0.6946546	0.549077904	0.56954076	0.537199109	0.622964909	0.917129072	1.038409476	0.751690759	0.470578546	0.556866343	0.380358961	0.3753755	0.445538237	0.3615958	0.543240758	0.569314454	0.509348481	0.438560474	0.937910617	0.464714657	0.388539001	1.940536723	0.382439189	0.7367178	0.537848895	0.402808662	0.504093548	0.521935254	0.446873481	0.451231738	0.437994518	0.692992057	0.446132906	1.513851186	0.248504861	0.458488561
Histidine	2.003492317	4.187372806	4.268552104	0.254491205	0.242264018	3.07521864	0.144746108	0.279088782	2.78639003	0.388841787	0.345946674	0.329339491	3.62412307	0.163504452	0.281174095	0.409398167	0.355952054	0.211780696	0.319332068	0.240041329	0.075812079	3.871819379	0.350835303	2.624198668	0.276318325	0.26923167	0.272180276	0.157913405	0.289327616	0.113541296	0.293450551	0.153539077	0.32816485	0.390274889	0.287015593	0.2995055	0.421629016	0.348566684	0.491945848	0.10887541	0.193940773	0.290526276	0.434289523	0.463851588	0.126703504	0.149212149	0.330020452	0.271172936	0.469843544	0.509757421	0.107768942	0.171866441	0.376433071	0.199212106	0.230810794	0.101008575	0.14212055	0.150234628	0.092674079	0.129079041	0.230762002	0.142830975	0.239246417	0.149305441
Homocysteine	0.934895061	0.970477807	0.759975995	0.842189908	1.07967982	1.083689964	0.983328512	0.91434714	1.059079315	1.01347377	0.989170476	0.997175906	0.806910515	0.973535624	1.043157812	0.954877376	1.005562771	1.022755667	1.055563974	0.899399393	1.052841735	1.178778857	1.091211127	1.117107334	1.132858705	0.857648248	1.102346859	0.899448918	0.929981064	0.889057779	0.970317167	1.150186145	0.959307554	1.123398682	0.972229462	0.942078126	1.162210442	1.006370451	0.907967705	0.970266935	1.011290117	0.914431084	1.021919568	1.157294561	0.878885914	1.008296999	0.938445786	1.010403877	0.819467657	0.887086459	0.965253992	0.954921632	1.05279713	0.941615268	1.020304006	0.938779917	1.055094424	0.902318359	0.886309339	0.936440698	1.034274977	1.129459126	0.784723663	1.094354493
Homoserine	1.612031579	1.54598067	1.628835758	0.609541985	1.033241111	1.312806996	1.180696163	0.793904012	0.947597039	1.890419002	0.879292129	1.390814146	2.316276452	1.767805848	1.742517533	1.441630279	1.011868931	1.173870722	1.443449058	1.060283479	0.647952214	0.423392444	1.568266858	0.724463556	0.460920933	0.845359534	1.047078013	0.896895367	0.940352928	0.686647788	1.22921869	0.800932513	1.00549391	1.063584334	1.805647228	1.403124419	1.489921363	1.190446331	1.193255431	0.56805811	0.78670696	0.888882802	1.504828215	1.274547707	0.691881087	0.531980082	1.254423699	0.821847539	1.400537135	1.550951809	0.425477651	0.809050716	0.772350972	0.729013705	0.88864481	0.477823992	0.971222752	0.514730198	0.588876679	0.784073517	0.953139865	0.409397084	0.544689417	0.995502171
Isoleucine	1.934737194	0.135587217	1.885500039	0.207089095	0.187642019	0.96654333	0.183294063	0.296473808	0.213386597	0.377357924	0.311268892	0.231732913	0.38163412	0.288093686	1.342615688	0.197195062	0.109411928	0.320990051	0.21728838	0.122294319	0.315249772	0.068284787	0.36071818	0.183775405	0.195250875	0.215217271	0.759018411	0.28859576	0.833090896	0.32211114	0.634982529	0.683662223	0.467590046	0.571124476	1.337597806	0.910270285	1.23899148	1.067564699	1.287044616	0.575166341	0.909494701	0.555217498	1.457535748	0.658834512	0.50834022	0.454232643	0.916636912	0.445264305	0.984224182	1.30656445	0.457591561	0.570922941	0.755681474	0.44263977	0.544616242	0.304719263	0.541487759	0.543672116	0.366260185	0.480791135	0.642050191	0.281975321	0.342776381	0.532877826
Kynurenic acid	1.736577473	0.734601607	1.897980077	0.704449532	1.642924777	1.895788866	0.840296111	0.680510009	0.582734386	0.802914932	0.566011764	0.804995943	0.755888942	1.064469868	2.254998392	1.273083279	0.757560473	0.57001521	0.768726717	0.639700828	1.17511267	0.685493209	1.123981615	0.978477	0.750945947	0.858949349	0.747231586	1.039508878	0.689829568	0.76474052	0.930347684	0.775957671	0.812210939	1.013481314	1.100827087	0.975232151	1.350847599	1.173367526	1.303683103	1.362237429	1.053270129	0.604641485	0.892864378	1.310648159	0.806381975	1.025029377	1.079801235	1.325606325	1.375332855	1.764256484	0.945429254	0.518584054	1.310314171	0.864569537	1.711716075	0.704957312	1.055857373	1.456254616	0.67610225	0.964803896	1.629463804	1.135278369	1.324741182	0.602525579
Leucine	3.495605461	0.458412999	3.831368663	0.48667503	0.517210765	2.368634438	0.48011895	0.767761385	0.580593369	1.077103996	0.721912218	0.685034416	0.950741135	0.625818792	3.037968542	0.846225884	0.391619168	0.804160813	0.59276464	0.416753453	1.080612987	0.217353031	1.003883222	0.456989349	0.527831723	0.473315512	1.289941292	0.632791705	1.30444116	0.713797841	1.613236665	1.175592863	0.889322389	1.125004357	2.241523021	1.404452821	2.735865508	2.050220796	2.173409618	0.990124059	1.379386011	0.997680683	2.326403776	1.564489794	0.904499246	0.931021812	1.704217844	0.853321368	1.800884237	2.327191949	0.964433915	1.069572851	1.411327459	0.902502676	1.079565377	0.602958376	0.958414222	1.063924901	0.739790463	0.911897068	1.230911042	0.614651116	0.816637303	0.970288789
Lysine	1.409291795	0.870614233	1.322876008	0.905341234	1.016641269	1.04300197	1.004004002	1.303113546	0.93023376	1.092145305	1.12645735	1.081104075	1.080420266	0.943705764	1.006008017	1.490801466	1.291376427	0.9849015	1.073933737	0.896504804	0.628011998	0.941076412	1.068512995	1.110812636	0.847232602	0.916450484	1.252710788	0.583110479	1.230201333	1.02384449	1.157978542	0.657880294	1.278055702	1.357842968	1.256107752	1.316413049	1.276586054	1.291530335	1.067532319	0.599752634	0.809417557	1.057384041	1.268270356	1.367345784	0.772674707	0.733446591	1.218910957	1.198514024	1.153861207	1.038344527	0.577205551	0.961938737	1.200360985	1.147013775	1.017994794	0.832630094	0.904214129	1.030617243	0.565636293	0.763127514	1.271323418	0.933852283	0.807691336	0.855676361
Methionine	2.427402678	1.609837255	3.226276157	1.214807355	1.106990672	3.410395398	1.454552791	0.965672409	2.178112689	1.704542253	2.428584331	1.44603381	4.857007533	1.282580431	3.880849775	4.016570084	1.922194054	0.953444629	1.284742208	1.399245662	0.234612767	0.260707623	1.562457055	1.384228519	1.125695407	0.77682852	0.717850774	0.562998667	0.893318443	0.594051871	0.842028143	0.784830366	0.852758804	1.051386365	1.683730126	1.337540918	1.40552768	1.804408417	1.740783806	0.605030388	1.032687108	0.659981429	1.480338061	1.429808317	0.651293415	0.748093312	1.301983608	0.731954744	1.43537395	1.365084131	0.394597679	0.578086087	1.021050851	0.721208568	0.825615135	0.530876458	0.74901384	0.746530883	0.468734828	0.325530192	1.215004808	0.422570494	0.673413772	0.664844327
N-acetylglutamine	1.288282985	1.322461221	1.84570885	0.561327706	2.016471188	0.710981755	1.683777658	0.932757884	1.129185087	1.858623468	1.076601878	1.175934614	0.686281876	0.855462109	0.836298689	2.206771939	1.945509217	0.584188339	0.863858035	0.423304958	0.461634468	0.534009767	1.544956001	0.85104749	0.676599114	0.473817835	0.986053189	0.477714451	0.829522327	2.114748426	1.071031433	0.706719952	1.233254484	1.993142654	1.982542055	1.299597541	1.404476022	1.887699968	1.483784305	0.295696084	0.358109139	0.885967826	1.146669604	2.950447262	0.690705263	0.495650518	1.475922896	1.085097101	1.592227273	0.98187865	0.244994878	0.926108532	1.252806568	1.212431716	1.365061378	0.738727768	0.653445053	1.082974003	0.314365971	0.611797908	2.152838588	0.695417734	0.362392981	0.530520445
NG-monomethyl-L-arginine	2.06829455	0.506089459	1.904241505	0.996161686	0.878185738	1.731666149	0.527752482	0.978472815	0.755916151	1.888445157	1.463591784	1.388707061	1.162574	0.527945596	0.733058994	1.43529969	0.670095981	1.006712804	0.520214956	0.386743943	0.354502058	0.859528207	1.522886176	0.729079172	0.829556107	0.630679603	1.204085527	0.632161515	1.707657478	0.682154856	0.974330621	0.786456303	1.167623693	1.580526924	1.477006448	1.391033382	1.698193589	3.360933636	2.201381804	0.627941386	0.517335487	1.083805379	1.512800458	2.002657929	0.642624851	0.883338273	1.202729806	1.151503029	1.70262236	1.960747064	0.737422345	0.711704957	1.243943719	1.10473615	1.059480131	0.850516812	0.725409009	0.842548399	0.667070242	0.706836253	1.672258308	0.628922425	0.847148008	0.742332473
Ornithine	2.091876597	0.282410458	2.249171213	0.391855115	0.420752209	1.109939319	0.401159025	0.541309454	0.40531671	0.910806503	0.695506492	0.629024538	0.323951201	0.530414102	1.383784739	0.882403787	0.348928329	0.625983772	0.581696501	0.332154346	0.24564603	0.212331509	0.567863262	0.38129204	0.319187226	0.362199922	0.719459901	0.519063774	0.867925532	0.529077733	0.774138009	1.577343126	2.721743736	3.302279514	2.182842236	1.460050225	2.498069564	2.684601196	1.739864203	0.798508898	0.757683293	0.546901067	3.274712765	3.972188349	1.275870253	1.538152205	1.277005207	0.921282723	2.059648288	4.740093111	2.279075723	0.662611921	1.29711773	0.787759889	1.376842364	0.798421293	0.702339544	1.036653401	0.419927702	1.381935629	2.327259041	1.050359869	1.435721053	0.847726059
Phenylalanine	2.859246797	0.670170471	2.674145213	0.788746325	1.195523032	2.27230688	0.883254111	1.025382048	0.897567895	2.378954848	1.233993724	0.770292765	1.53203581	1.181510251	2.73100946	2.111603348	0.723194547	0.863832953	0.740736846	0.866798856	0.709521361	0.336583777	1.991352257	0.672774782	0.781988933	0.611073885	1.17894707	0.736735928	1.443088241	0.702806432	1.114448974	0.765209144	1.043668044	1.386364794	1.6288808	1.365880953	1.664442773	1.854943207	1.771044126	0.774793629	1.034472873	1.058437871	1.70660321	1.598427204	0.726983348	0.982053054	1.616066435	0.984805877	1.626952374	2.02881297	0.840805045	1.014660118	1.186714625	0.913491847	0.985242976	0.639126217	0.8368414	0.969901401	0.614109136	0.580892189	1.396509242	0.764028175	1.075718766	0.793190739
Proline	0.759791384	1.00763536	0.849180438	1.416751746	1.110630799	1.036859962	1.548843439	0.979607162	1.945510054	1.421534899	1.875838191	0.323176283	1.217048531	0.724507652	1.095593548	2.537958493	2.010628357	0.375547587	0.271964835	0.505342395	0.444374572	0.254832005	1.033006469	1.199622347	1.309041549	0.519893549	1.050469531	1.067045375	1.024891745	0.449804425	0.817197345	1.103868326	0.827343851	0.956272227	1.625808951	0.848690328	0.884072443	1.519714733	1.192638014	1.596549868	0.839788359	1.10155654	1.052968573	1.088279314	0.964496461	1.12162069	1.115544487	1.032944821	0.925401235	1.963621523	0.881117168	1.035278407	1.156077318	0.95034879	0.60712189	1.56052941	0.515706816	1.273306929	0.521178101	1.280033409	0.6423728	0.474852104	0.674011536	0.495179702
Purine	2.498544843	0.807042043	2.229591933	0.571902846	1.265330289	1.762257589	0.695675388	0.673635593	0.668508779	1.683289481	0.876417759	0.952008888	1.547812473	0.87998432	2.490058946	1.348142437	0.701126737	0.768353954	0.569109892	0.66505595	0.45059881	0.232566825	1.704006723	0.469700941	0.510922705	0.374737224	1.27967909	0.467223553	1.043931991	0.476028152	0.656764857	0.962809601	1.115612384	1.439992809	1.0425573	0.966968346	1.290063965	1.863471686	1.552961517	0.713804603	1.039305197	0.91030706	1.461382179	1.872023634	0.495822037	0.792728918	1.657139211	0.930894624	1.284838125	1.871970795	0.502582458	0.765709191	1.572113084	0.761253698	0.836854362	0.632405078	0.734904402	0.841673812	0.48972579	0.818621778	1.638269923	0.507091747	0.710762842	0.561364875
Pyridoxine	1.786390637	0.966849148	1.572758453	0.98514997	1.030685452	1.286199875	0.887081634	1.465672402	1.127837168	1.832094273	1.252935924	1.253436896	1.055598053	1.057304516	1.691825976	1.799953923	1.341012759	1.025135044	0.93604641	1.139283012	0.762670654	0.492111173	1.621851632	1.060485169	0.880062307	1.089483016	0.922140505	0.697712511	1.054009962	0.949032159	1.217572324	0.621640625	0.9933769	1.320728241	1.736011642	1.296953034	1.294368028	1.200964475	1.328004654	0.41438039	0.816050523	0.843651373	1.538044257	1.609888626	0.655937965	0.573356368	1.279179253	0.875476449	1.350821434	1.061300638	0.444629234	0.934854897	1.094333863	0.9580188	1.109714869	0.773035229	0.805047895	0.764222087	0.491576901	0.569481829	1.071932151	0.668450073	0.799310221	0.941286807
Serine	0.982976712	1.193795918	1.044488571	1.290262964	1.128903946	1.474629742	2.50331158	1.105647736	1.575827979	1.822461833	2.171364487	1.445267902	1.261698395	0.8848087	1.278815614	1.651469076	1.699123714	0.796858646	1.23177483	0.919212344	0.735567742	0.356804268	1.107497643	1.538482807	1.138512774	0.95359556	0.504339428	0.981257092	0.528179761	1.32962996	0.893849896	0.655254178	0.712569889	0.807130507	1.882038875	1.210694673	0.955634696	1.79902582	1.371004793	1.063092091	0.95420264	0.499647871	0.939264337	1.177837128	0.525217542	0.843688281	1.188570367	0.563265243	1.144991503	1.226414097	0.520969866	0.755567656	0.852006168	0.479202056	1.037337675	0.620222212	0.728465802	0.783168752	0.635032965	0.790832861	1.204123137	0.577390079	1.057494541	0.843424418
Serotonin	0.799927166	0.525036227	0.57464675	0.431061852	0.474152955	0.354344108	0.597070649	1.731594362	1.242901605	0.430702527	0.560899934	0.620574233	0.332640129	0.710418867	0.225648399	1.622802502	1.010055552	0.351506722	0.392992128	0.347092422	0.312636274	0.287504854	0.243175339	0.591201271	0.249723175	0.174929794	0.741972955	1.421654623	0.834083257	1.527200606	0.944735592	1.468111618	2.979650485	2.880088112	0.95651553	7.533250343	1.995602341	1.323540034	2.141213755	0.972087164	0.729177126	0.58269758	1.38199672	3.521460418	1.104078148	1.031173308	0.455200586	1.475237641	2.18000732	2.268388696	1.683481299	0.433988904	0.937991826	1.070044613	1.28137979	1.097496855	1.034582153	1.789636726	0.629587982	0.744935413	1.150504455	2.428070504	0.820618039	0.96103025
Spermine	2.176062122	0.479625749	1.894417413	0.92045934	1.148540447	1.186775621	0.529710416	0.962570314	0.772532689	2.20651811	1.73608759	1.014357768	0.898495034	0.651943917	0.702459399	1.56116531	0.793498366	0.674157155	0.778043851	0.94751678	0.435064843	1.520050895	2.210361391	0.713775813	0.936640163	0.715316939	1.362362918	0.424372586	1.031180788	0.630158104	0.748290488	0.520433532	1.270176226	1.801422858	2.56761357	1.454502039	1.675151049	1.342273019	2.055707023	0.66372069	0.970390074	0.806206543	1.632433725	2.428446189	0.519497811	0.646157754	2.03868041	0.932741022	1.438994093	1.446194823	0.610440217	1.177396098	1.137916852	0.767028583	0.982275041	0.784695051	0.756509281	1.058486765	0.498733741	0.652426991	1.717599865	0.650936178	1.295012568	0.74479289
Taurine	1.133016219	0.644483708	1.871736616	0.736571816	0.48200315	1.34866277	0.432411742	0.707129606	0.65690851	1.297352411	1.185161154	0.732980864	1.049752895	1.098348606	1.149048519	1.246710217	0.536533578	0.811360469	0.64893761	0.851603932	0.923534813	0.585341221	1.123582511	0.50273573	0.737128612	0.617746454	0.995268629	0.728290716	0.829881395	0.715120538	0.986005552	1.127784634	1.046284949	1.301682078	1.800677695	1.355740556	1.700152448	1.19245479	1.724025189	0.646650235	0.995009084	0.684978293	1.957183177	1.623654773	0.947264846	1.12826648	1.284389254	1.011819406	1.693516277	1.545987933	0.694705746	1.181345835	1.460650816	0.951976034	1.09884174	0.737376488	1.162171392	0.97937025	1.030259446	0.520023365	1.550085436	1.047253528	1.190263822	1.197323676
Threonine	1.49490015	1.434108482	1.755550078	0.549990552	1.0894007	1.395991139	1.188196979	0.659658913	0.979862853	1.778312854	0.768194672	1.620435002	2.476996546	1.602124899	1.842256794	1.534334679	0.873179101	1.220064088	1.160366743	0.915611742	0.57586644	0.471657614	1.616130122	0.782868052	0.48121651	1.084514448	1.246983083	0.727623425	1.157537905	0.652831138	1.233367877	1.043630904	0.86234344	1.252880641	1.549479866	1.348158724	1.596118223	1.319323903	1.271161699	0.605547715	0.796186795	1.043837712	1.346597503	1.464253639	0.831991651	0.640412465	1.236654706	0.87272327	1.230175989	1.73066255	0.36280886	0.667393585	0.936203036	0.760036317	0.957088988	0.558519481	0.972618365	0.594175507	0.623351023	0.869040056	1.255001447	0.427428484	0.661313099	1.007839361
Thyroxine	1.114446642	0.679541299	1.290189462	0.593437211	0.453095005	1.358523067	0.51529861	0.839991886	0.411683011	1.179799394	0.859142481	0.428742866	0.38551199	0.970364367	0.959272305	1.751765548	0.651695099	0.855667005	0.356264018	0.599114762	0.623399188	0.508093925	1.04412471	0.44911798	0.790632094	0.514913594	1.300315997	2.370623821	2.243821087	0.739298637	1.401859607	0.9806604	0.76179239	0.960291907	1.713511389	1.396739862	1.689401459	3.081711104	2.291831242	1.447603732	1.004105329	1.790083281	1.803554112	1.158558711	1.169847406	1.165539937	1.516702644	1.077513939	1.994669596	4.646702597	1.526856372	1.176528294	1.778012018	1.070869949	0.902934381	0.95794485	1.200712098	2.54002929	1.217774162	1.212932202	0.476406886	0.979309655	1.012195279	1.082500271
trans-hydroxyproline	1.149490479	1.141303909	0.829950329	1.336507544	1.129069473	1.117721341	1.0857586	1.269438583	1.201372998	1.029525238	1.042084356	1.104883375	1.047659509	0.962494608	0.904207881	1.083019724	0.933532279	1.114259614	1.225822722	1.213922958	1.073737303	1.339319031	1.011043148	1.217846071	1.218505218	1.072816408	1.147663792	1.064565427	0.949500835	1.137321579	1.086888769	1.138417956	1.20116362	1.20481869	0.879067269	0.939868523	0.960576078	1.056190559	0.899667341	1.184447218	1.165695607	1.191638026	1.028200109	0.933913064	1.12437102	1.132532247	0.786654108	0.930057379	0.946805231	0.996561403	1.235561906	1.135366892	0.951584849	0.996360191	1.008594423	1.475258826	1.072762286	1.013348611	1.194112941	1.011687911	0.900224361	1.250671109	0.83510743	1.108182772
Trimethylamine N-oxide	0.782947109	0.07181302	0.401879744	0.489061705	0.467246496	0.218588481	0.143316137	0.212012911	0.186500273	0.857372787	0.729032762	0.919476758	0.176516004	0.20622667	0.311256221	0.589520058	0.376516461	0.204748478	0.7930644	0.441940538	0.208774986	0.292605983	0.687219257	0.184339674	0.432448644	0.705832402	0.789815538	0.489009722	0.827422686	0.816084016	0.441013219	0.671580152	2.836251158	3.399736903	0.295942111	0.814997546	1.005527016	3.720915102	2.111796683	0.208472546	1.139765421	0.776100284	1.182505683	3.321941237	0.578331434	4.141106514	0.126152259	2.525182844	1.124766001	0.81859305	1.571806502	0.096779394	0.7197581	2.530108989	0.70439321	0.697344426	2.841626506	0.888937637	2.38606652	0.350937093	1.005651857	1.264190542	0.685449105	2.575642355
Tryptophan	2.739015534	0.484898102	2.217285962	0.209050785	0.755126285	2.106842965	0.637404985	0.297390781	0.597359311	1.710802255	0.308933655	0.663427081	1.019392734	0.950535502	1.8946949	0.769094639	0.365240486	0.781456083	0.576847923	0.556590848	0.346668832	0.094418245	1.497842477	0.540053986	0.181000806	0.517094497	0.963816227	0.853651407	1.072493446	0.577334081	1.32218005	1.405134412	1.545012223	1.97566477	1.90135584	1.422820658	1.750236604	1.773975266	2.608957755	1.030789718	1.322975628	0.889555276	1.8059961	2.315482298	1.238340109	1.213239055	1.687186563	0.923335787	2.00726453	2.096207671	0.969943638	1.072409412	1.591850766	0.901253016	1.145648519	0.754709574	1.116438971	1.041186844	0.858323355	0.595049657	2.317813329	1.109074047	1.499230803	1.143436515
Tyrosine	1.87678488	0.466901669	2.314989034	1.060174364	0.594357755	2.277996826	0.632751955	0.569971238	0.734844161	1.330353717	1.614195493	1.149581047	1.641596775	0.998755808	1.961544485	1.849331058	0.562450995	0.872164394	0.857146887	0.751912886	0.420871156	0.227044559	1.18582309	0.682573935	0.907729338	0.75557797	0.716268085	0.385447976	0.816079977	0.457702865	1.064624743	1.094416436	1.530735303	1.876687482	1.35692575	0.920758199	1.588582047	1.869240496	2.096614965	0.612983147	1.150559323	0.680152331	1.677611566	2.601321518	1.041336209	0.790001673	1.17992536	0.847933164	2.239763574	1.170383059	0.605407292	0.766796677	1.305252287	0.784390797	1.402748039	0.670408489	1.045763712	0.833723322	0.799887762	0.526375502	2.461936684	0.932830115	1.105724327	1.062986497
Uridine	0.827625106	0.232550361	0.563104393	0.499129513	0.988605531	2.500864051	0.234886254	0.86447774	0.274434904	1.272500629	0.953319354	0.179233378	0.31105309	0.950004038	0.959890501	0.492992834	0.211793015	0.180270511	0.179139432	0.087870639	1.418681053	0.073625651	1.194443347	0.190711222	0.872529577	0.40211616	1.884113425	0.276222057	1.808572722	0.598669091	2.088218618	1.136795191	1.732680985	2.183252766	2.365406922	2.598582155	3.319406216	1.720216198	2.004463154	0.850660232	1.50852708	0.96203185	2.95157392	1.743953701	0.82495408	0.846601688	1.986659799	1.647198687	2.306804664	1.083442671	0.871132003	1.582374595	1.977713142	1.610276186	1.613855693	0.160084159	1.204245459	1.097062514	0.720298239	0.789005074	1.095179756	0.61063318	1.003338607	1.263920965
Valine	2.112333505	0.509259049	1.731688718	0.4688663	0.57853153	1.20056406	0.395210582	0.86107527	0.478839733	0.894828683	0.809878554	0.853335731	1.027568277	0.588391953	1.678058033	0.600414138	0.354078207	0.839821189	0.739492896	0.439433442	0.934918362	0.293800471	0.803949477	0.557607506	0.533206017	0.667307083	1.993143386	0.624123155	1.808286204	0.82235939	2.075407792	1.371630246	0.862422066	1.119696366	1.690972561	1.695128371	2.082843649	1.975620879	1.967253067	0.912712365	1.423291248	1.410996363	2.051847368	1.298463355	0.935826851	1.079607445	1.676512731	1.030367104	1.650361207	2.144527429	0.926082757	1.164981561	1.707462802	0.896210403	1.303279294	0.766994258	1.294349845	1.044578993	0.8933783	0.914374259	1.301452694	0.685659885	0.997642308	1.255183456
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	-	HMDB0000378
3-Methyl-2-oxovaleric acid	C00671	HMDB0000491
5-Aminolevulinic Acid	C00430	HMDB0001149
5-hydroxyindoleacetic acid	C05635	HMDB0000763
5-Hydroxyindoleacetic acid	C05635	HMDB0000763
Acetoacetic acid	C00164	HMDB0000060
Acetoacetic Acid	C00164	HMDB0000060
Acetylcarnitine	C02571	HMDB0000201
Acetylcholine	C01996	HMDB0000895
Adenosine	C00212	HMDB0000050
Alanine	C00041	HMDB0000161
Aminoadipic Acid	C00956	HMDB0000510
Anserine	C01262	HMDB0000194
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
Creatine	C00300	HMDB0000064
Cyclic AMP	C00575	HMDB0000058
Cystamine	-	-
Cysteamine	C01678	HMDB0002991
Cytidine	C00475	HMDB0000089
Cytosine	C00380	HMDB0000630
Dimethylguanidino valeric acid	-	HMDB0240212
Glutamic acid	C00025	HMDB0000148
Glutamine	C00064	HMDB0000641
Glycine	C00037	HMDB0000123
Histamine	C00388	HMDB0000870
Histidine	C00135	HMDB0000177
Homocysteine	C00155	HMDB0000742
Homoserine	C00263	HMDB0000719
Isoleucine	C00407	HMDB0000172
Kynurenic acid	C01717	HMDB0000715
Leucine	C00123	HMDB0000687
Lysine	C00047	HMDB0000182
Methionine	C00073	HMDB0000696
N-acetylglutamine	-	HMDB0006029
NG-monomethyl-L-arginine	C03884	HMDB0029416
Ornithine	C00077	HMDB0000214
Phenylalanine	C00079	HMDB0000159
Proline	C00148	HMDB0000162
Purine	C15587	HMDB0001366
Pyridoxine	C00314	HMDB0000239
Serine	C00065	HMDB0000187
Serotonin	C00780	HMDB0000259
Spermine	C00750	HMDB0001256
Taurine	C00245	HMDB0000251
Threonine	C00188	HMDB0000167
Thyroxine	C01829	HMDB0000248
trans-hydroxyproline	C01157	HMDB0000725
Trimethylamine N-oxide	C01104	HMDB0000925
Tryptophan	C00078	HMDB0000929
Tyrosine	C00082	HMDB0000158
Uridine	C00299	HMDB0000296
Valine	C00183	HMDB0000883
METABOLITES_END
#END