#METABOLOMICS WORKBENCH bhun7404_20230525_175400 DATATRACK_ID:4046 STUDY_ID:ST002717 ANALYSIS_ID:AN004405 PROJECT_ID:PR001684
VERSION             	1
CREATED_ON             	May 30, 2023, 10:59 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 2)
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           	ICM13	Raw_SmpID_65	LV/RV:LV | Condition:ICM | Sex:F	Age=42; Replicate=No; 2020_Run_position=30; 2020_Mass_Spec_ID=16; RAW_FILE_NAME=30_16
SUBJECT_SAMPLE_FACTORS           	ICM14	Raw_SmpID_66	LV/RV:LV | Condition:ICM | Sex:F	Age=43; Replicate=No; 2020_Run_position=40; 2020_Mass_Spec_ID=17; RAW_FILE_NAME=40_17
SUBJECT_SAMPLE_FACTORS           	ICM2	Raw_SmpID_67	LV/RV:LV | Condition:ICM | Sex:M	Age=45; Replicate=No; 2020_Run_position=41; 2020_Mass_Spec_ID=18; RAW_FILE_NAME=41_18
SUBJECT_SAMPLE_FACTORS           	ICM16	Raw_SmpID_68	LV/RV:LV | Condition:ICM | Sex:F	Age=48; Replicate=No; 2020_Run_position=52; 2020_Mass_Spec_ID=20; RAW_FILE_NAME=52_20
SUBJECT_SAMPLE_FACTORS           	ICM17	Raw_SmpID_69	LV/RV:LV | Condition:ICM | Sex:F	Age=49; Replicate=No; 2020_Run_position=9; 2020_Mass_Spec_ID=21; RAW_FILE_NAME=9_21
SUBJECT_SAMPLE_FACTORS           	ICM5	Raw_SmpID_70	LV/RV:LV | Condition:ICM | Sex:M	Age=54; Replicate=No; 2020_Run_position=21; 2020_Mass_Spec_ID=24; RAW_FILE_NAME=21_24
SUBJECT_SAMPLE_FACTORS           	ICM6	Raw_SmpID_71	LV/RV:LV | Condition:ICM | Sex:M	Age=54; Replicate=No; 2020_Run_position=31; 2020_Mass_Spec_ID=25; RAW_FILE_NAME=31_25
SUBJECT_SAMPLE_FACTORS           	ICM18	Raw_SmpID_72	LV/RV:LV | Condition:ICM | Sex:F	Age=54; Replicate=No; 2020_Run_position=32; 2020_Mass_Spec_ID=26; RAW_FILE_NAME=32_26
SUBJECT_SAMPLE_FACTORS           	ICM9	Raw_SmpID_73	LV/RV:LV | Condition:ICM | Sex:M	Age=62; Replicate=No; 2020_Run_position=43; 2020_Mass_Spec_ID=28; RAW_FILE_NAME=43_28
SUBJECT_SAMPLE_FACTORS           	ICM12	Raw_SmpID_74	LV/RV:LV | Condition:ICM | Sex:M	Age=66; Replicate=No; 2020_Run_position=55; 2020_Mass_Spec_ID=30; RAW_FILE_NAME=55_30
SUBJECT_SAMPLE_FACTORS           	Donor7	Raw_SmpID_75	LV/RV:LV | Condition:Donor | Sex:M	Age=47; Replicate=No; 2020_Run_position=90; 2020_Mass_Spec_ID=95; RAW_FILE_NAME=90_95
SUBJECT_SAMPLE_FACTORS           	Donor19	Raw_SmpID_76	LV/RV:LV | Condition:Donor | Sex:F	Age=47; Replicate=No; 2020_Run_position=91; 2020_Mass_Spec_ID=96; RAW_FILE_NAME=91_96
SUBJECT_SAMPLE_FACTORS           	Donor9	Raw_SmpID_77	LV/RV:LV | Condition:Donor | Sex:M	Age=48; Replicate=No; 2020_Run_position=99; 2020_Mass_Spec_ID=97; RAW_FILE_NAME=99_97
SUBJECT_SAMPLE_FACTORS           	Donor21	Raw_SmpID_78	LV/RV:LV | Condition:Donor | Sex:F	Age=49; Replicate=No; 2020_Run_position=100; 2020_Mass_Spec_ID=98; RAW_FILE_NAME=100_98
SUBJECT_SAMPLE_FACTORS           	Donor10	Raw_SmpID_79	LV/RV:LV | Condition:Donor | Sex:M	Age=53; Replicate=No; 2020_Run_position=109; 2020_Mass_Spec_ID=100; RAW_FILE_NAME=109_100
SUBJECT_SAMPLE_FACTORS           	Donor23	Raw_SmpID_80	LV/RV:LV | Condition:Donor | Sex:F	Age=54; Replicate=No; 2020_Run_position=121; 2020_Mass_Spec_ID=103; RAW_FILE_NAME=121_103
SUBJECT_SAMPLE_FACTORS           	Donor13	Raw_SmpID_81	LV/RV:LV | Condition:Donor | Sex:M	Age=60; Replicate=No; 2020_Run_position=143; 2020_Mass_Spec_ID=107; RAW_FILE_NAME=143_107
SUBJECT_SAMPLE_FACTORS           	Donor14	Raw_SmpID_82	LV/RV:LV | Condition:Donor | Sex:M	Age=62; Replicate=No; 2020_Run_position=145; 2020_Mass_Spec_ID=108; RAW_FILE_NAME=145_108
SUBJECT_SAMPLE_FACTORS           	Donor26	Raw_SmpID_83	LV/RV:LV | Condition:Donor | Sex:F	Age=62; Replicate=No; 2020_Run_position=155; 2020_Mass_Spec_ID=109; RAW_FILE_NAME=155_109
SUBJECT_SAMPLE_FACTORS           	Donor15	Raw_SmpID_84	LV/RV:LV | Condition:Donor | Sex:M	Age=65; Replicate=No; 2020_Run_position=156; 2020_Mass_Spec_ID=110; RAW_FILE_NAME=156_110
SUBJECT_SAMPLE_FACTORS           	ICM13	Raw_SmpID_85	LV/RV:RV | Condition:ICM | Sex:F	Age=42; Replicate=No; 2020_Run_position=113; 2020_Mass_Spec_ID=112; RAW_FILE_NAME=113_112
SUBJECT_SAMPLE_FACTORS           	ICM14	Raw_SmpID_86	LV/RV:RV | Condition:ICM | Sex:F	Age=43; Replicate=No; 2020_Run_position=123; 2020_Mass_Spec_ID=113; RAW_FILE_NAME=123_113
SUBJECT_SAMPLE_FACTORS           	ICM2	Raw_SmpID_87	LV/RV:RV | Condition:ICM | Sex:M	Age=45; Replicate=No; 2020_Run_position=125; 2020_Mass_Spec_ID=114; RAW_FILE_NAME=125_114
SUBJECT_SAMPLE_FACTORS           	ICM16	Raw_SmpID_88	LV/RV:RV | Condition:ICM | Sex:F	Age=48; Replicate=No; 2020_Run_position=135; 2020_Mass_Spec_ID=115; RAW_FILE_NAME=135_115
SUBJECT_SAMPLE_FACTORS           	ICM6	Raw_SmpID_89	LV/RV:RV | Condition:ICM | Sex:M	Age=54; Replicate=No; 2020_Run_position=136; 2020_Mass_Spec_ID=116; RAW_FILE_NAME=136_116
SUBJECT_SAMPLE_FACTORS           	ICM5	Raw_SmpID_90	LV/RV:RV | Condition:ICM | Sex:M	Age=54; Replicate=No; 2020_Run_position=146; 2020_Mass_Spec_ID=117; RAW_FILE_NAME=146_117
SUBJECT_SAMPLE_FACTORS           	ICM18	Raw_SmpID_91	LV/RV:RV | Condition:ICM | Sex:F	Age=54; Replicate=No; 2020_Run_position=147; 2020_Mass_Spec_ID=118; RAW_FILE_NAME=147_118
SUBJECT_SAMPLE_FACTORS           	ICM9	Raw_SmpID_92	LV/RV:RV | Condition:ICM | Sex:M	Age=62; Replicate=No; 2020_Run_position=157; 2020_Mass_Spec_ID=119; RAW_FILE_NAME=157_119
SUBJECT_SAMPLE_FACTORS           	ICM17	Raw_SmpID_93	LV/RV:RV | Condition:ICM | Sex:F	Age=49; Replicate=No; 2020_Run_position=158; 2020_Mass_Spec_ID=120; RAW_FILE_NAME=158_120
SUBJECT_SAMPLE_FACTORS           	ICM12	Raw_SmpID_94	LV/RV:RV | Condition:ICM | Sex:M	Age=66; Replicate=No; 2020_Run_position=115; 2020_Mass_Spec_ID=121; RAW_FILE_NAME=115_121
SUBJECT_SAMPLE_FACTORS           	Donor19	Raw_SmpID_95	LV/RV:RV | Condition:Donor | Sex:F	Age=47; Replicate=No; 2020_Run_position=126; 2020_Mass_Spec_ID=123; RAW_FILE_NAME=126_123
SUBJECT_SAMPLE_FACTORS           	Donor7	Raw_SmpID_96	LV/RV:RV | Condition:Donor | Sex:M	Age=47; Replicate=No; 2020_Run_position=127; 2020_Mass_Spec_ID=124; RAW_FILE_NAME=127_124
SUBJECT_SAMPLE_FACTORS           	Donor9	Raw_SmpID_97	LV/RV:RV | Condition:Donor | Sex:M	Age=48; Replicate=No; 2020_Run_position=137; 2020_Mass_Spec_ID=125; RAW_FILE_NAME=137_125
SUBJECT_SAMPLE_FACTORS           	Donor21	Raw_SmpID_98	LV/RV:RV | Condition:Donor | Sex:F	Age=49; Replicate=No; 2020_Run_position=138; 2020_Mass_Spec_ID=126; RAW_FILE_NAME=138_126
SUBJECT_SAMPLE_FACTORS           	Donor10	Raw_SmpID_99	LV/RV:RV | Condition:Donor | Sex:M	Age=53; Replicate=No; 2020_Run_position=148; 2020_Mass_Spec_ID=127; RAW_FILE_NAME=148_127
SUBJECT_SAMPLE_FACTORS           	Donor22	Raw_SmpID_100	LV/RV:RV | Condition:Donor | Sex:F	Age=53; Replicate=No; 2020_Run_position=149; 2020_Mass_Spec_ID=128; RAW_FILE_NAME=149_128
SUBJECT_SAMPLE_FACTORS           	Donor23	Raw_SmpID_101	LV/RV:RV | Condition:Donor | Sex:F	Age=54; Replicate=No; 2020_Run_position=159; 2020_Mass_Spec_ID=129; RAW_FILE_NAME=159_129
SUBJECT_SAMPLE_FACTORS           	Donor13	Raw_SmpID_102	LV/RV:RV | Condition:Donor | Sex:M	Age=60; Replicate=No; 2020_Run_position=160; 2020_Mass_Spec_ID=130; RAW_FILE_NAME=160_130
SUBJECT_SAMPLE_FACTORS           	Donor14	Raw_SmpID_103	LV/RV:RV | Condition:Donor | Sex:M	Age=62; Replicate=No; 2020_Run_position=117; 2020_Mass_Spec_ID=131; RAW_FILE_NAME=117_131
SUBJECT_SAMPLE_FACTORS           	Donor26	Raw_SmpID_104	LV/RV:RV | Condition:Donor | Sex:F	Age=62; Replicate=No; 2020_Run_position=118; 2020_Mass_Spec_ID=132; RAW_FILE_NAME=118_132
SUBJECT_SAMPLE_FACTORS           	Donor15	Raw_SmpID_105	LV/RV:RV | Condition:Donor | Sex:M	Age=65; Replicate=No; 2020_Run_position=128; 2020_Mass_Spec_ID=133; RAW_FILE_NAME=128_133
SUBJECT_SAMPLE_FACTORS           	ICM13	Raw_SmpID_106	LV/RV:LV | Condition:ICM | Sex:F	Age=42; Replicate=Yes; 2020_Run_position=139; 2020_Mass_Spec_ID=135; RAW_FILE_NAME=139_135
SUBJECT_SAMPLE_FACTORS           	ICM3	Raw_SmpID_107	LV/RV:LV | Condition:ICM | Sex:M	Age=47; Replicate=No; 2020_Run_position=140; 2020_Mass_Spec_ID=136; RAW_FILE_NAME=140_136
SUBJECT_SAMPLE_FACTORS           	ICM11	Raw_SmpID_108	LV/RV:RV | Condition:ICM | Sex:M	Age=65; Replicate=Yes; 2020_Run_position=150; 2020_Mass_Spec_ID=137; RAW_FILE_NAME=150_137
SUBJECT_SAMPLE_FACTORS           	DCM1	Raw_SmpID_109	LV/RV:LV | Condition:DCM | Sex:M	Age=29; Replicate=No; 2020_Run_position=151; 2020_Mass_Spec_ID=138; RAW_FILE_NAME=151_138
SUBJECT_SAMPLE_FACTORS           	DCM3	Raw_SmpID_110	LV/RV:LV | Condition:DCM | Sex:M	Age=47; Replicate=No; 2020_Run_position=162; 2020_Mass_Spec_ID=140; RAW_FILE_NAME=162_140
SUBJECT_SAMPLE_FACTORS           	DCM7	Raw_SmpID_111	LV/RV:LV | Condition:DCM | Sex:M	Age=56; Replicate=No; 2020_Run_position=119; 2020_Mass_Spec_ID=141; RAW_FILE_NAME=119_141
SUBJECT_SAMPLE_FACTORS           	DCM10	Raw_SmpID_112	LV/RV:LV | Condition:DCM | Sex:F	Age=43; Replicate=No; 2020_Run_position=120; 2020_Mass_Spec_ID=142; RAW_FILE_NAME=120_142
SUBJECT_SAMPLE_FACTORS           	DCM2	Raw_SmpID_113	LV/RV:LV | Condition:DCM | Sex:M	Age=43; Replicate=No; 2020_Run_position=130; 2020_Mass_Spec_ID=143; RAW_FILE_NAME=130_143
SUBJECT_SAMPLE_FACTORS           	DCM11	Raw_SmpID_114	LV/RV:LV | Condition:DCM | Sex:F	Age=58; Replicate=No; 2020_Run_position=131; 2020_Mass_Spec_ID=144; RAW_FILE_NAME=131_144
SUBJECT_SAMPLE_FACTORS           	DCM9	Raw_SmpID_115	LV/RV:LV | Condition:DCM | Sex:M	Age=64; Replicate=No; 2020_Run_position=141; 2020_Mass_Spec_ID=145; RAW_FILE_NAME=141_145
SUBJECT_SAMPLE_FACTORS           	Donor1	Raw_SmpID_116	LV/RV:LV | Condition:Donor | Sex:M	Age=9; Replicate=No; 2020_Run_position=142; 2020_Mass_Spec_ID=146; RAW_FILE_NAME=142_146
SUBJECT_SAMPLE_FACTORS           	Donor16	Raw_SmpID_117	LV/RV:LV | Condition:Donor | Sex:F	Age=10; Replicate=No; 2020_Run_position=152; 2020_Mass_Spec_ID=147; RAW_FILE_NAME=152_147
SUBJECT_SAMPLE_FACTORS           	Donor17	Raw_SmpID_118	LV/RV:LV | Condition:Donor | Sex:F	Age=31; Replicate=No; 2020_Run_position=153; 2020_Mass_Spec_ID=148; RAW_FILE_NAME=153_148
SUBJECT_SAMPLE_FACTORS           	Donor18	Raw_SmpID_119	LV/RV:LV | Condition:Donor | Sex:F	Age=45; Replicate=No; 2020_Run_position=163; 2020_Mass_Spec_ID=149; RAW_FILE_NAME=163_149
SUBJECT_SAMPLE_FACTORS           	Donor5	Raw_SmpID_120	LV/RV:LV | Condition:Donor | Sex:M	Age=45; Replicate=No; 2020_Run_position=165; 2020_Mass_Spec_ID=150; RAW_FILE_NAME=165_150
SUBJECT_SAMPLE_FACTORS           	Donor18	Raw_SmpID_121	LV/RV:RV | Condition:Donor | Sex:F	Age=45; Replicate=No; 2020_Run_position=166; 2020_Mass_Spec_ID=151; RAW_FILE_NAME=166_151
SUBJECT_SAMPLE_FACTORS           	Donor20	Raw_SmpID_122	LV/RV:LV | Condition:Donor | Sex:F	Age=48; Replicate=No; 2020_Run_position=167; 2020_Mass_Spec_ID=152; RAW_FILE_NAME=167_152
SUBJECT_SAMPLE_FACTORS           	Donor8	Raw_SmpID_123	LV/RV:LV | Condition:Donor | Sex:M	Age=48; Replicate=No; 2020_Run_position=168; 2020_Mass_Spec_ID=153; RAW_FILE_NAME=168_153
SUBJECT_SAMPLE_FACTORS           	Donor20	Raw_SmpID_124	LV/RV:RV | Condition:Donor | Sex:F	Age=48; Replicate=No; 2020_Run_position=169; 2020_Mass_Spec_ID=154; RAW_FILE_NAME=169_154
SUBJECT_SAMPLE_FACTORS           	Donor27	Raw_SmpID_125	LV/RV:LV | Condition:Donor | Sex:F	Age=62; Replicate=No; 2020_Run_position=171; 2020_Mass_Spec_ID=156; RAW_FILE_NAME=171_156
SUBJECT_SAMPLE_FACTORS           	Donor26	Raw_SmpID_126	LV/RV:LV | Condition:Donor | Sex:F	Age=62; Replicate=Yes; 2020_Run_position=172; 2020_Mass_Spec_ID=157; RAW_FILE_NAME=172_157
#COLLECTION
CO:COLLECTION_SUMMARY            	Donated human myocardium. Refer to uploaded acquisition methods.
CO:COLLECTION_PROTOCOL_FILENAME  	LVvsRV_Tissue_aquisition_Methods.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_2020.docx
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Refer to the uploaded methods file.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	LVvsRV_Metabolomics_Methods_2020.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_2020.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_65	Raw_SmpID_66	Raw_SmpID_67	Raw_SmpID_68	Raw_SmpID_69	Raw_SmpID_70	Raw_SmpID_71	Raw_SmpID_72	Raw_SmpID_73	Raw_SmpID_74	Raw_SmpID_75	Raw_SmpID_76	Raw_SmpID_77	Raw_SmpID_78	Raw_SmpID_79	Raw_SmpID_80	Raw_SmpID_81	Raw_SmpID_82	Raw_SmpID_83	Raw_SmpID_84	Raw_SmpID_85	Raw_SmpID_86	Raw_SmpID_87	Raw_SmpID_88	Raw_SmpID_89	Raw_SmpID_90	Raw_SmpID_91	Raw_SmpID_92	Raw_SmpID_93	Raw_SmpID_94	Raw_SmpID_95	Raw_SmpID_96	Raw_SmpID_97	Raw_SmpID_98	Raw_SmpID_99	Raw_SmpID_100	Raw_SmpID_101	Raw_SmpID_102	Raw_SmpID_103	Raw_SmpID_104	Raw_SmpID_105	Raw_SmpID_106	Raw_SmpID_107	Raw_SmpID_108	Raw_SmpID_109	Raw_SmpID_110	Raw_SmpID_111	Raw_SmpID_112	Raw_SmpID_113	Raw_SmpID_114	Raw_SmpID_115	Raw_SmpID_116	Raw_SmpID_117	Raw_SmpID_118	Raw_SmpID_119	Raw_SmpID_120	Raw_SmpID_121	Raw_SmpID_122	Raw_SmpID_123	Raw_SmpID_124	Raw_SmpID_125	Raw_SmpID_126
Factors	LV/RV:LV | Condition:ICM | Sex:F	LV/RV:LV | Condition:ICM | Sex:F	LV/RV:LV | Condition:ICM | Sex:M	LV/RV:LV | Condition:ICM | Sex:F	LV/RV:LV | Condition:ICM | Sex:F	LV/RV:LV | Condition:ICM | Sex:M	LV/RV:LV | Condition:ICM | Sex:M	LV/RV:LV | Condition:ICM | Sex:F	LV/RV:LV | Condition:ICM | Sex:M	LV/RV:LV | Condition:ICM | Sex:M	LV/RV:LV | Condition:Donor | Sex:M	LV/RV:LV | Condition:Donor | Sex:F	LV/RV:LV | Condition:Donor | Sex:M	LV/RV:LV | Condition:Donor | Sex:F	LV/RV:LV | Condition:Donor | Sex:M	LV/RV:LV | Condition:Donor | Sex:F	LV/RV:LV | Condition:Donor | Sex:M	LV/RV:LV | Condition:Donor | Sex:M	LV/RV:LV | Condition:Donor | Sex:F	LV/RV:LV | Condition:Donor | Sex:M	LV/RV:RV | Condition:ICM | Sex:F	LV/RV:RV | Condition:ICM | Sex:F	LV/RV:RV | Condition:ICM | Sex:M	LV/RV:RV | Condition:ICM | Sex:F	LV/RV:RV | Condition:ICM | Sex:M	LV/RV:RV | Condition:ICM | Sex:M	LV/RV:RV | Condition:ICM | Sex:F	LV/RV:RV | Condition:ICM | Sex:M	LV/RV:RV | Condition:ICM | Sex:F	LV/RV:RV | Condition:ICM | Sex:M	LV/RV:RV | Condition:Donor | Sex:F	LV/RV:RV | Condition:Donor | Sex:M	LV/RV:RV | Condition:Donor | Sex:M	LV/RV:RV | Condition:Donor | Sex:F	LV/RV:RV | Condition:Donor | Sex:M	LV/RV:RV | Condition:Donor | Sex:F	LV/RV:RV | Condition:Donor | Sex:F	LV/RV:RV | Condition:Donor | Sex:M	LV/RV:RV | Condition:Donor | Sex:M	LV/RV:RV | Condition:Donor | Sex:F	LV/RV:RV | Condition:Donor | Sex:M	LV/RV:LV | Condition:ICM | Sex:F	LV/RV:LV | Condition:ICM | Sex:M	LV/RV:RV | Condition:ICM | Sex:M	LV/RV:LV | Condition:DCM | Sex:M	LV/RV:LV | Condition:DCM | Sex:M	LV/RV:LV | Condition:DCM | Sex:M	LV/RV:LV | Condition:DCM | Sex:F	LV/RV:LV | Condition:DCM | Sex:M	LV/RV:LV | Condition:DCM | Sex:F	LV/RV:LV | Condition:DCM | Sex:M	LV/RV:LV | Condition:Donor | Sex:M	LV/RV:LV | Condition:Donor | Sex:F	LV/RV:LV | Condition:Donor | Sex:F	LV/RV:LV | Condition:Donor | Sex:F	LV/RV:LV | Condition:Donor | Sex:M	LV/RV:RV | Condition:Donor | Sex:F	LV/RV:LV | Condition:Donor | Sex:F	LV/RV:LV | Condition:Donor | Sex:M	LV/RV:RV | Condition:Donor | Sex:F	LV/RV:LV | Condition:Donor | Sex:F	LV/RV:LV | Condition:Donor | Sex:F
1-Methylhistamine	1.02451595	1.191800366	0.982223911	0.988310917	0.998920937	1.014911797	0.979652663	1.081425656	0.996553142	1.041572619	0.968872986	1.054394953	0.920360679	0.940229635	0.978336669	1.07548628	0.986606855	0.965577005	1.003769375	0.949845689	1.033480885	1.111042224	1.088512708	0.990374153	1.029210448	1.002392737	1.130261973	1.040491811	1.015974208	1.029148026	1.008786195	1.045141636	0.913229315	0.924862875	1.058178666	1.101248018	1.138979577	1.011327886	1.271042956	0.939371671	1.049746266	1.005777695	1.026287801	0.99580853	1.073652031	1.1735534	1.024236244	1.121798993	1.141058515	0.961606657	1.150295095	1.009103228	2.988896801	1.052675665	0.957010355	0.954061472	0.926168482	0.970060097	1.023688365	0.94378422	0.977756525	1.00465277
2'-Deoxyadenosine	0.90163145	0.884777212	0.947199239	0.782476229	1.173628701	1.000150669	1.039347844	1.117827143	1.182054598	0.623243527	1.09939477	1.01801279	1.197402449	1.325891483	0.683520952	1.478826842	1.187940704	0.862376401	1.301692224	1.150701768	0.800756345	1.108624355	0.958983049	0.972400336	0.861272362	0.994174376	1.207627329	0.959649895	1.472934894	0.702945817	0.771566603	0.828253667	0.991465692	0.993027054	0.682709876	0.601615308	1.10529191	0.851592499	0.871244516	0.768172608	0.929712271	1.087787842	0.792992579	1.062493367	1.165956559	0.610644622	0.678422352	0.892534577	0.746939803	1.032500347	0.683159978	0.717003286	1.038168372	1.108789599	0.807925706	0.798698626	0.742578894	0.773324118	0.540944936	0.551408433	0.831248241	0.715846342
2'-Deoxycytidine	1.206237612	1.764349537	2.123424261	1.284349601	1.518377136	3.20850806	1.695083311	0.733027442	1.3539125	1.034349314	0.226842015	0.392297341	0.726923773	0.185459903	0.316644926	1.07167191	0.569319996	0.131334496	0.291806709	0.189096303	1.536313348	2.209219604	1.687552999	0.956835295	1.236763908	1.53579197	1.138187646	0.574720895	0.88213601	1.156359404	0.441148207	0.636296912	0.215522998	0.256202459	3.210864143	0.569084939	0.878563002	0.662808832	0.215947768	0.66380542	1.253370878	2.108672113	1.268020884	1.60531081	0.907642077	1.162497905	1.242799749	0.758894211	1.033640345	0.331647737	1.63588867	0.14954107	1.665656527	0.245713891	0.202915967	0.55472324	0.705675134	0.620824709	0.541932293	1.419361064	0.22359953	0.363100434
2-Methylbutyroylcarnitine	0.406073354	1.432442657	0.710904837	0.908937374	0.73646689	2.68829874	1.247922255	1.509277205	1.063742866	0.571697277	3.315465978	0.758560938	2.585325223	1.022629899	6.526651255	1.208256253	6.212776511	0.977564819	3.34295829	1.703594167	0.374466851	1.20771706	0.973281645	0.962269571	1.445901757	1.86836239	1.210094014	0.414437974	0.684486104	0.795703134	1.571464942	1.993998354	2.255819717	1.033656218	5.397676089	0.970423383	2.271513649	6.612425983	0.712587318	4.410097812	1.982828317	0.402974725	1.152454292	1.153172406	0.354733236	0.834823762	0.927485084	0.315935768	0.74183212	0.681933994	0.834903213	4.120095724	0.892295704	0.951767803	1.943525411	1.171314939	3.480419127	1.713844274	1.673872589	1.449117829	1.536320976	2.160149947
5-Aminolevulinic acid	1.084367392	0.933980088	0.967941465	1.011366516	1.168109565	1.231308806	1.130300626	1.354692429	1.088344934	0.896851203	1.288399058	0.827920502	1.22330633	1.181231723	1.278712155	0.881866589	1.125702441	1.433315592	1.37725246	1.51523073	1.115625676	1.057184149	1.01100931	1.174868893	1.209227837	1.159843907	1.129242946	0.773507224	1.242422524	1.025817147	1.285853725	1.382659696	1.317288184	1.264955841	1.194415628	1.420415701	1.470320807	1.185482845	1.387187005	1.38660217	1.364285378	1.132985377	0.949459894	1.244111351	0.820192056	0.883712061	0.963016641	0.708559295	1.038432926	1.065285752	0.988854713	1.364375029	1.27232585	1.088004031	1.192990096	1.104973793	1.228134328	1.318588461	0.898405117	1.293168885	1.240320488	1.131201507
5-Hydroxyindoleacetic acid	1.463030688	1.44597308	0.796569343	0.34343431	0.602119002	1.585379995	1.662813634	1.195398288	0.99397285	1.32220452	1.023094188	0.505277113	0.470297063	1.15021976	0.334202326	0.40034275	1.116694237	0.680747373	0.743925296	0.444357481	1.124030299	1.294626375	0.754466397	0.398854655	1.451044112	1.157534191	1.122809531	0.707794701	0.602147058	1.114480342	1.091690964	0.654656147	0.409667487	0.930409139	0.326954996	0.738634816	0.578169306	0.89098987	0.403154577	0.723815386	0.341434964	1.051704057	0.855410028	0.923008108	1.009990869	1.414096318	1.251228365	1.173747937	1.363959661	1.23665727	0.876102733	1.271665303	0.425740192	0.624417482	1.414697282	0.445328938	1.17420306	0.349540667	0.488881129	0.231636233	0.439192629	0.549887307
Acetoacetic acid	0.794473676	1.006818904	0.906693204	1.106560533	0.871144	1.528700287	1.231985848	1.169481214	1.31125688	0.902628281	1.414867444	0.778456569	1.156407311	1.145729474	1.559584162	0.874827025	1.059073347	1.281227449	1.665072632	1.378078806	0.777623839	1.033355971	0.896407723	1.310324264	1.090626785	1.330523756	1.125949137	0.884720429	1.184491036	1.129521819	1.352976932	1.345596774	1.326872875	1.164752239	1.453936343	1.230966213	1.534796101	1.445370275	1.339172715	1.66248886	1.335924344	0.798916158	1.025384274	1.34290141	0.504359799	0.884981432	0.911749171	0.639264124	1.084217877	0.975602782	0.726523899	1.164699081	1.1604503	1.001807628	1.023935416	1.173254584	1.568695015	1.280021041	1.019194351	1.149936211	1.341949376	1.457049576
Acetylcarnitine	0.992030813	0.989855134	0.99713477	1.034040397	0.995203191	1.050735563	1.034872718	1.01594368	0.996905091	0.942968415	1.020931792	0.972379765	1.057800765	1.05860127	0.961374225	0.996239047	1.041482958	1.010300535	1.022047536	1.036327723	0.937210474	0.971612957	0.974735347	0.993482843	1.012424051	0.990402811	0.977721733	0.884945679	0.985876292	0.964959923	1.004039272	1.020648089	1.057580079	1.024530589	1.008261438	1.057653215	1.007747235	1.042540473	1.023959544	0.986117147	1.009230694	1.013038764	0.992758589	0.985492892	0.886051609	0.97735271	0.991322071	0.901831701	0.977775238	0.940517023	0.976932577	0.93569477	1.080045093	1.012472165	1.102166128	1.082781919	1.034851652	1.021689823	0.988312767	1.065994349	1.03043414	1.049088742
Acetylcholine	0.727780374	3.030699734	0.824042076	0.937214928	0.97078016	1.750864083	1.471990242	1.049367097	1.18118901	0.973374947	1.313006727	0.675190074	1.539282198	1.296063065	1.676422788	0.554305201	1.072276198	2.777478847	1.327900392	1.548944998	0.546731227	2.82669964	0.948410878	0.988859603	1.429109302	1.592588691	0.899878357	0.552870971	1.165108044	1.293489036	1.281843104	1.530955244	1.726317282	1.408295835	1.754556771	1.434953167	1.168224861	1.357022459	2.313641116	1.427765181	1.414268838	0.597887583	1.1984648	1.735837162	0.270406892	0.62593679	0.85095815	0.816938545	0.907533377	0.960172911	0.953947465	1.840046484	1.068678624	0.94228391	1.019768315	1.282899725	1.201471306	1.034887945	0.916233154	1.098648725	1.269245544	0.82417847
Adenosine	1.411008623	1.207334551	0.755339032	1.185092242	1.185377192	1.61203529	1.366008218	0.725833318	1.128673305	1.031550329	0.651331456	0.139541335	0.474458868	0.590801647	0.637467353	0.695139431	0.353367486	1.178413483	1.058980283	0.837164136	1.113212318	0.920562786	0.822830594	0.821632209	1.409286163	1.210179588	0.69533508	0.753227789	0.965585507	0.973990697	0.548454472	0.88737655	0.265215366	0.679692363	0.839107678	0.734295556	0.858967617	0.490029535	1.594574865	0.927102143	1.049865707	1.214937727	0.721490235	0.721241845	0.870259619	0.70971573	0.871214518	0.974553277	0.709115281	0.575305702	0.879981706	0.384861095	0.870736489	0.409293883	0.476393947	0.98646006	1.295311546	0.444932575	0.35729886	0.591894435	0.53356761	0.425051241
Alanine	1.451195958	1.1782782	1.089429307	1.410895713	1.042438547	1.668235552	1.405838022	1.329769501	1.017218102	1.655223234	1.648757322	0.731098373	1.691379226	2.144052001	1.3543514	1.073241759	1.815623277	1.877398175	1.497821075	1.593042782	1.070873066	1.102950042	1.167128629	1.253435278	1.6335477	1.928563621	1.129350679	0.869884144	1.173902534	1.63321095	1.214202262	1.255993932	1.881710828	1.540536008	1.646201525	1.286549899	1.965244734	1.991204466	1.642913552	1.444400836	1.575397677	1.186905979	1.475127089	1.343521004	0.906279754	0.635978162	1.099092592	1.024726475	0.756283692	0.908338847	1.23581329	0.907707121	1.63167221	1.262194192	2.487556095	1.485660798	2.099727645	2.042089289	1.266809526	1.760774726	1.726788724	1.483795651
Aminoadipic acid	1.091300372	1.074145647	0.719378333	1.057126107	0.936689521	1.400002971	1.02428285	1.050228764	0.696986665	0.767600522	1.414822657	0.687198348	1.208803967	1.243228732	0.822690164	0.44016891	1.236530445	1.466712834	1.195891699	1.292024337	1.014980832	1.222543734	0.89917287	1.237733154	1.334570614	1.458125637	0.896718205	0.659172317	0.884427854	0.928964077	1.245286209	1.301163521	1.127433867	1.205249766	1.026031694	1.047088886	0.877937076	1.260435622	1.201027455	1.376593618	1.072948401	1.050005039	1.04806088	0.980510322	1.072968152	1.014232961	1.110293691	0.97007732	0.76648614	1.018599719	0.833046513	1.175678627	1.127176742	1.628502457	1.050381542	1.283216436	1.188591262	1.201656413	1.073602254	1.303496949	0.910917981	1.07815349
Anserine	2.078338503	0.93758264	0.859858813	0.915780832	0.982201745	1.365984211	1.322203184	1.297341322	1.342623954	1.138463406	0.769172103	0.582396466	0.645069834	1.344488083	0.120304589	0.571901611	0.255690342	0.52613556	1.493504739	0.575706179	1.259595281	0.727898109	1.013328969	1.230269144	1.690716152	1.613088939	1.421696716	0.937827931	0.758468514	1.415662735	0.673200572	0.643437891	0.611988565	1.138754155	0.129733257	1.954588154	0.840319074	0.236429256	0.374229039	1.244711138	0.513443757	1.674484418	0.929460063	0.823560011	0.101754383	0.714986961	0.931763253	1.377483159	2.953859753	0.631800611	0.802240108	0.266655856	1.113462955	0.320143068	1.333432356	0.92312617	1.123976561	1.391552581	0.138363362	1.341134105	0.319603883	1.161402039
Arginine	1.234158513	1.257704609	1.342634881	1.18854526	1.418939654	1.336763974	1.145644641	1.121791818	1.306985356	1.031799532	1.164857321	0.439411142	0.964650813	0.611065884	0.603038457	0.862735218	0.980796222	1.045172792	0.865979711	1.211020681	1.088773393	1.053248917	1.170961241	1.215346398	1.301078648	1.552217503	1.039183894	1.036197023	1.308581577	1.032299133	0.646361834	0.996458431	0.792609899	0.619600683	0.660886972	0.747254244	0.789307209	0.929825672	0.881170396	0.757287526	1.053099684	1.071670839	0.974160306	1.163156763	1.391702374	1.112008661	1.188569197	0.791345704	0.970781299	1.141919877	0.869032528	0.363413868	1.048109092	0.361171138	0.714482036	0.779312054	0.709175265	0.946832843	0.531459442	0.872748733	0.617149696	0.716822381
Asparagine	0.846293741	0.784331112	0.671794188	0.671516799	0.681793029	0.968308414	0.785479026	1.279732071	0.85251418	0.699516552	1.832049864	0.649709841	1.151193741	1.130361319	0.883484217	0.789708144	1.009207743	1.281041245	1.350193786	1.303583253	0.835587271	0.81754476	0.695533817	0.722259816	0.704712356	1.056612963	0.963365167	0.625391682	0.757125789	0.739477155	0.901707515	1.074320008	0.991992231	0.875118159	1.062845583	0.828465064	1.447361871	0.915977141	0.973727939	1.252229496	1.153591678	0.731245423	1.0080752	0.839972104	1.19315074	0.735407316	1.079105704	0.597608519	1.472049044	0.81734912	0.663623997	1.61538573	0.819942088	0.744359532	1.706006912	1.378501713	1.107482686	1.173837515	0.664983847	0.877559012	0.902669416	1.688626321
Aspartic acid	0.803796157	1.221195924	1.022148696	0.913658597	0.502014701	0.536012887	0.599042637	1.218881147	0.668899288	1.221656293	3.820446113	0.334215066	0.974272855	1.040578694	1.115399033	0.427070756	0.942168186	0.552084555	0.934071386	3.577275125	0.641686565	0.718508001	0.630828142	0.94193952	0.73761907	0.857034961	0.96448277	0.536141864	0.572364518	1.132180585	0.502000057	1.661207827	1.021268533	0.763367956	0.951128251	0.341270849	0.973380957	0.736904097	0.47046747	0.861091756	2.534759203	0.582333823	0.963490302	0.777098069	0.653443238	1.793915419	1.101374449	0.668845716	0.472761414	1.305947877	0.51155968	0.620336935	0.590632279	0.82940512	0.303238784	3.288781068	0.480615319	0.552266114	0.280744072	0.626192078	0.818879961	0.550514534
Asymmetric dimethylarginine	0.966699844	1.997507852	0.965017931	0.98136044	0.762766628	1.252164562	1.123382691	0.794132846	0.862213622	0.857335609	0.976910391	0.448005658	0.754853998	0.766239469	0.774486563	0.358001888	0.698543672	0.914175668	0.846643634	1.257266292	0.809762258	2.115749708	0.872246787	1.004467843	1.105261092	0.997771357	0.688873097	0.658041586	0.697013875	0.792010288	0.794356626	0.797744648	0.719697974	0.804581536	0.918988875	1.061408851	0.601309592	0.694000861	0.638964374	0.692701876	1.184161498	0.884467802	1.023831636	1.073759225	0.918559892	1.223370037	0.944116856	0.857315681	0.785679769	0.993007363	0.904692041	1.568844312	0.613601262	0.471902811	1.23267712	0.779121747	1.037728479	1.201555422	0.540710239	0.991921292	0.706369366	0.757240581
beta-Alanine	0.915386559	0.73979493	0.799578272	0.750800378	0.842720848	0.82781514	0.852909716	0.801872669	1.11851843	0.778456189	0.526723583	0.679705821	0.495219823	0.534136793	0.586681292	1.039862307	0.823746771	0.516652333	0.914974288	0.792636254	0.604738292	0.969010758	0.784961722	0.65078236	0.575685455	0.796190829	0.80390906	1.354764293	0.887065172	0.573110833	1.195770519	0.536718807	0.491903145	0.651717541	0.793195223	0.679573766	0.764806761	0.848868836	0.366827125	0.572487407	0.595924287	0.641008275	0.89629796	0.8570215	1.027711081	1.160858823	0.572972943	0.840904854	0.667272687	0.629913946	1.281740535	0.663374842	0.669236269	0.920738109	0.643905311	0.811978833	0.751221183	0.642204118	0.945555912	1.01310148	0.744832741	0.753368516
Betaine	0.810901871	1.287924323	0.966278557	0.992526569	0.91654221	1.528488074	1.306492069	0.79139836	1.171413389	1.067347535	0.787970877	0.881952585	0.906329302	1.093563243	1.314796482	0.487726035	0.667368719	1.136604714	0.964895084	0.84431336	0.690042087	1.195046697	0.927782018	0.939204882	1.025128517	1.412971086	0.780038889	0.863458132	1.084112412	1.218941469	0.962384087	0.861203868	0.92045007	1.075291031	1.26334791	0.982177618	0.671930675	0.786200404	1.004239332	0.989144556	0.736813351	0.759944784	1.308270408	1.265592368	0.643657439	0.877617436	1.059435994	0.986618623	0.9250058	0.93059811	0.945422735	1.137023661	0.793000616	0.640482491	0.856691097	1.141745719	0.750217965	0.5567779	1.326960383	0.632396879	1.050890069	0.810352171
Butyrylcarnitine	0.951728507	1.25541722	0.953474284	0.961157304	0.91431302	1.112994936	1.125721894	1.089540557	0.732156265	0.987339562	1.096270178	1.178845829	1.364827303	1.045644986	0.805174607	1.017536614	1.161548103	1.54590493	0.989406768	1.189154129	0.806372813	1.257100209	0.983394874	0.809136375	1.073417757	1.112803004	1.002570011	0.371078932	0.842458597	1.065561911	1.344127708	1.144627297	1.450959215	1.23436123	1.077707951	1.14173578	1.214149746	1.244845118	1.392179129	1.001262134	1.270946891	0.892107513	1.003365177	0.99308144	0.393851355	0.70475097	0.816819889	0.581324534	0.561048445	0.513635499	0.767495502	0.934439433	1.405190097	1.101167657	1.443701303	0.842780331	1.289810703	1.333755489	1.247605447	1.359602241	1.36614416	1.006379144
Carnitine	0.822175415	0.982996521	0.941787022	1.023283808	0.912679669	1.349120695	1.203860657	1.094977735	1.20931845	0.89812568	1.286718177	0.856030546	1.114512024	1.053417982	1.368511944	0.88371994	1.095760048	1.144593584	1.446920971	1.251262874	0.84921834	1.065198329	1.009365808	1.220353489	1.058826839	1.268948143	1.120981817	0.881201561	1.111262316	1.069140792	1.257277633	1.291466331	1.234549366	1.129123036	1.398428651	1.198594937	1.27745367	1.295989502	1.195160749	1.509151361	1.256422468	0.856761541	1.085343614	1.234341538	0.594502607	0.87679944	0.910152736	0.73652429	1.071124677	1.008568893	0.806978491	1.082310196	1.119868188	0.93854863	0.985823939	1.121624878	1.30030201	1.159832675	1.020826503	1.077851418	1.174376501	1.251014451
Carnosine	3.360758871	0.912854698	0.557579345	1.386389282	1.042576136	0.298669179	0.36231495	0.945017877	0.624961177	1.617133672	0.657201128	0.35136972	0.337585173	0.626849457	0.059892946	0.590665894	0.329667365	0.430736961	0.898250781	0.461334863	1.105486354	0.543178766	0.499249136	1.374829724	0.707702408	0.39517038	0.529224187	0.904294495	0.53176839	0.724726849	0.554990257	0.786947811	0.39984329	0.642781061	0.102304207	0.737154468	0.724264936	0.4786875	0.362258533	0.707368827	0.857814853	0.820868411	0.347416218	0.696152241	0.419559281	0.419465576	0.690236829	0.794130437	0.502799909	0.572469715	0.520184147	1.626032447	0.791414121	0.670356595	0.553961199	0.282151516	0.710577233	0.72011985	0.271800019	0.6536078	0.737020525	0.661782669
Choline	0.877116859	1.124529329	0.871691672	0.898103284	0.906857412	1.377620947	1.174298777	0.617620453	1.095380735	1.875601229	1.201480878	0.436456722	0.64641531	0.441920555	0.538946512	0.318708481	0.412746145	1.078041329	0.457032758	1.302482102	0.834596115	1.097938161	1.104659691	1.092839597	1.349152268	2.167178963	0.735062033	1.190937248	1.279050042	1.830162603	1.273086863	1.140899027	0.833166196	0.871408856	0.636016446	0.487892373	0.801358214	0.640048877	0.706292967	0.627694622	1.487861127	0.880947283	1.32678351	1.391022789	1.268429626	1.285877871	1.115149643	0.939804466	0.98319181	0.824113312	0.838730602	0.754445787	0.968930496	0.972639002	0.261352813	0.465848417	0.864085188	0.399670271	0.660252325	0.612994016	1.237668232	0.386644304
Citrulline	0.657543983	2.021412549	2.023342234	0.786090284	1.29910335	0.887073488	3.032219085	3.005989591	2.065328556	0.895766868	0.867992002	0.317557781	0.695698739	1.945489665	1.158324217	0.171516211	1.090448531	0.813123867	0.490082317	0.519789634	0.635058219	1.657262458	1.25882452	0.797962483	3.734998657	0.784957994	1.649238223	1.522092018	1.062048575	0.867121819	0.182878076	0.214743739	0.528227424	0.685667432	0.608459703	0.151390287	0.233564707	0.563097185	0.302151401	0.303610419	0.330692658	0.880837541	0.740243465	3.024055547	1.918061657	2.753802244	1.952667976	0.818401135	3.490321907	1.431237806	0.93221851	0.362983051	2.077277481	0.307911229	0.60858011	1.064675543	0.178268537	0.606171771	0.334424341	0.247263457	0.383240577	0.711810318
Creatine	0.993211379	0.988219649	1.118841948	1.037021705	1.145045161	0.774777325	1.054701917	0.87970148	0.921397309	1.00332298	0.765869216	1.018832717	0.95579332	1.099770183	0.946479235	0.836407074	0.633505596	0.863976996	0.855826966	1.006045361	0.77430926	0.980243596	0.996794805	1.135702657	1.135366458	0.904097173	0.939944557	1.012911192	1.022252693	1.01347744	0.958103643	1.007233527	1.086077996	1.177572969	0.925496775	0.870305465	1.028741359	0.973484036	0.988449566	0.7146947	0.972660117	1.150223159	1.052091778	1.043329038	1.043629877	1.05473966	1.01085987	1.132528759	1.190396898	1.200916124	1.072437297	1.009707713	1.069187979	1.109685687	1.041143914	1.064561363	0.988114771	0.996823143	1.031895211	0.93423446	0.994573549	0.971293676
Cyclic AMP	1.107069565	0.946045783	0.636090408	0.898753785	1.026541079	1.136060795	1.236244517	1.388443274	0.950792288	0.642974398	1.681820636	0.685471013	2.510978866	1.319205195	1.032898678	0.4218463	2.010941279	3.346947356	1.109617453	1.016122452	0.822402141	0.838456533	0.606029924	0.979776282	1.349841862	1.280881526	1.135912526	0.805801078	0.902968745	0.557830933	1.356674476	1.542577137	2.174841484	1.205871317	1.132029066	1.446872556	1.017877772	1.152196371	2.494765065	0.976457121	0.976868948	0.916948029	0.823767389	0.876978511	0.80448727	0.747774559	1.46514467	0.691945441	1.042111821	1.100684044	0.938005494	1.296011235	1.13280072	1.068929257	2.119194252	1.288788988	1.78563725	1.295593074	1.119607392	1.000768754	1.137680848	0.89555206
Cystamine	1.025897622	3.387358599	0.885615658	0.435725095	0.605613565	3.621536922	2.133680181	0.562592332	0.525435901	1.920489906	0.124839927	0.057930967	0.429618367	0.600600445	0.13480188	0.071817553	0.577638633	0.086983642	0.320637036	0.169223769	0.880328887	3.696427631	0.93281115	0.463527694	2.285047733	3.354549346	0.4571334	0.502758067	0.596518736	2.059476993	0.060849225	0.074015526	0.433750408	0.462170049	0.1414712	0.462755099	0.116245785	0.5328172	0.088392888	0.28851586	0.160158004	0.876230252	0.92808774	0.921741925	2.602987685	1.894574261	1.401878928	3.014413403	1.513244274	4.184269426	0.94432576	0.891039778	0.071721657	0.119048051	1.133408268	0.334862554	1.003011931	0.759675592	0.074966988	0.634801812	0.09453298	0.292537293
Cysteamine	0.569262688	0.370405215	0.472285602	0.494864758	0.363794138	1.214749243	1.330298077	0.848130823	3.109806155	5.180672674	0.215448461	0.388072235	0.273549831	0.29829157	0.388235095	0.72928987	0.25175572	0.588236476	0.271568903	0.320939479	0.600512117	0.436973455	0.603981834	0.599561965	1.484299693	1.103894098	0.919682737	3.066034484	0.363383271	5.389335165	0.472282683	0.22899563	0.294183129	0.212858227	0.563940516	0.811420257	0.279655071	0.356392449	0.578038587	0.245693571	0.223809088	0.679384667	0.851629205	3.738758768	0.335496173	1.071488719	1.268305822	2.822576919	3.270539068	1.459845841	0.736444609	0.348310778	0.541581465	0.867489447	1.041467673	0.47783259	1.252715052	0.65323624	0.94216103	1.969400643	0.448710986	0.43099816
Glutamic acid	1.21771125	1.269549444	1.053339713	1.2834028	1.064978116	1.076203135	1.106145802	1.182585729	1.285015219	1.066823497	1.19077113	0.548767946	1.150006465	1.322511692	0.80595288	0.56729754	0.9712792	1.493541716	1.195726378	1.125943411	1.029406518	1.017048804	0.81508066	1.059005711	0.788396278	0.560816144	0.978702298	0.778392936	1.023478981	1.075084785	0.777690173	0.837689957	1.040793223	1.261274717	0.672380433	0.545115658	0.980190252	0.699363054	1.248325472	0.882242363	0.893584255	1.232392619	1.2252108	1.040875153	0.955171128	0.99812685	1.200003878	0.994492011	1.035025367	1.115138152	0.778056326	1.333566972	1.006373569	1.342071279	0.582025695	0.868577924	0.512729507	1.120026971	0.298622067	0.877564461	0.938834582	0.92819018
Glutamine	1.00891666	1.103382685	1.19882447	1.250233855	1.083104306	1.472524899	1.177297753	1.317498191	1.21660228	0.81598443	1.3832994	0.629628927	1.266265389	1.077196924	0.860440198	0.64600985	1.123787145	1.347175046	1.133797995	1.350918877	1.144420674	1.122065336	1.316581974	1.468021563	1.242914882	1.359342126	1.373284017	0.710142358	1.183293342	0.94111117	0.790795513	1.18346657	1.03550812	1.215625193	0.794005198	0.930663828	0.892530525	1.017359207	0.806076441	0.975874512	1.094331879	1.169412321	0.9144496	1.369175317	0.934419819	0.866783296	0.931372826	0.721326297	1.393819352	1.026007082	1.074343879	1.338769804	1.288819021	0.741339571	1.407688315	1.502906832	0.912132949	1.226848259	0.732185651	0.971073975	1.054732967	1.300195796
Glycine	0.801475019	0.901291772	1.110890739	0.545117823	0.922072222	0.991419735	1.002198129	0.757846033	0.757295807	0.770516411	1.080991366	1.365308139	0.940119677	1.493260452	1.074820748	0.742374549	0.686305878	0.520532416	0.711214697	0.641473501	1.697430969	0.987203415	1.332511125	0.48640381	0.707443472	1.15206628	0.707152261	1.341620741	0.996712727	0.681848187	1.224484479	0.665252919	0.728770684	1.23937108	1.702740872	1.477288118	1.213778071	0.634198268	0.62574536	0.847456775	0.695248695	0.553276483	0.895995437	0.716009654	1.913132312	0.984986543	0.9476435	0.887654407	0.785076061	0.70830818	1.347502726	0.970228343	0.838081263	0.787903928	2.110250531	1.436969851	1.10640091	1.496290982	0.763786879	1.117600382	0.580995305	1.164443598
Histamine	1.712375934	0.955746125	1.311306914	1.599449395	1.398162127	1.475759521	1.287245153	0.658794223	0.80135529	1.281817776	0.335403803	0.747242189	1.885442285	0.304212866	0.230788695	0.748891631	0.969640199	0.126270745	0.324711201	0.329118086	1.428300071	0.914794279	1.353418599	1.262493818	1.641229705	0.891792089	0.885705242	0.816167642	1.156303146	1.584365475	1.012861042	0.595254048	1.380775671	0.266209424	0.83763653	0.557601997	0.790804659	1.110671363	0.152027575	0.462809897	0.656328016	1.449004498	1.380700727	1.12471668	0.958301281	1.257412986	1.55513353	0.987930352	0.745646614	0.18263688	0.946692416	0.131331938	0.766541982	0.341564262	1.052376656	0.341677133	0.811545885	0.87513719	1.162205963	1.223991789	0.459870411	0.396175199
Histidine	1.47860595	1.257522107	1.093662758	1.034200167	1.175946598	1.229541248	1.098174413	1.130460773	1.046633176	1.00645169	1.47921494	0.752395331	1.578714023	8.473615862	0.786692444	5.333216083	1.202023331	1.238886509	0.715624004	0.644484739	0.885561976	1.131671413	1.119212637	1.085272174	1.017086019	0.987171321	0.874586381	0.584454991	0.767777152	0.960569515	0.947724556	1.177029903	1.092794438	6.529587652	0.882133041	1.542473916	5.978580462	1.236024016	1.238706506	0.814051973	0.958367122	1.410399382	0.928527602	0.81013629	0.854461813	1.150793135	1.172237717	1.003528976	2.513859902	1.618231689	0.652918528	10.62764887	0.907924911	7.237634215	1.331934309	1.296843483	0.9071732	1.448333338	0.619826697	1.24678202	7.094912652	1.487736788
Homocysteine	1.017379165	1.294224181	0.923340136	1.076334541	1.261278418	1.294653075	1.261216913	1.250669285	1.052646333	1.104822722	1.140885532	0.862441744	1.208861236	0.963111508	1.008909637	0.659752512	1.095575898	1.024847285	0.955680778	1.06894536	1.139247887	1.021013168	1.036352469	1.20100652	1.403947005	1.171107564	1.152090864	0.878013704	1.109298269	1.229255905	0.946153379	1.124167568	1.201804943	0.966286615	0.976016979	1.265402735	1.059821915	1.264606404	1.413203152	1.001249721	1.079408944	0.974085835	0.898004678	1.130744135	0.764178412	1.014300864	0.965457612	0.795343865	1.1250265	0.981292847	0.825544805	0.880648546	2.395460119	0.956873351	0.994657833	0.948267862	0.801451051	0.939867611	0.807659135	0.882904736	0.841369671	0.907680886
Homoserine	1.335293735	1.087950057	0.673110617	1.202036939	0.694912741	1.344758284	0.952253214	1.229581846	0.912353198	0.930624439	1.759016333	0.487613291	1.294972417	1.059758818	0.59907966	0.459051432	1.334277229	1.490656434	1.472577666	1.559236422	1.124691354	1.097345896	0.730106144	1.071787418	1.082717763	1.381520269	0.837451132	0.674944506	0.794670972	1.003292304	0.731664246	0.997482788	1.003508046	0.914190162	0.583533832	0.269028548	0.827208423	1.349470993	1.18249069	1.261446751	1.304602992	1.0904844	0.860134314	0.955050482	1.242972524	0.663380539	1.028506127	0.87905171	0.55853458	0.674694788	1.066680126	0.637356686	0.719354391	1.220746438	1.40172329	0.945709197	1.073227147	0.873741012	0.677881473	0.584982705	1.024170528	1.695453623
Isoleucine	1.622018145	1.025028266	1.000014653	1.44639451	1.025141872	1.901229454	2.123864971	0.756011315	1.396623402	1.612858168	0.581115184	0.233671616	1.000750099	0.451917266	0.22427356	0.495722004	0.555444278	0.526992719	0.763222618	0.631870516	1.12734834	1.041675938	1.075346025	1.565122103	2.152470198	2.479566536	0.651796689	1.295306771	1.029019562	1.818840997	0.559545487	0.487925891	0.731768144	0.569919201	0.392338787	0.292171648	1.30783016	0.70100439	0.568674691	0.666112991	0.5717181	1.478984192	2.094596215	0.978884348	1.304109799	1.702158879	1.234940193	1.152229085	0.823610145	1.028478259	1.389066575	0.201325559	0.450943548	0.263923603	0.505075362	0.183327956	0.450364289	0.615733202	0.888288272	0.548736162	1.361197589	0.622313028
Kynurenic acid	0.556357485	4.762276918	0.607491674	0.194303993	0.440043883	0.572402977	1.053382932	0.274563018	0.413076443	0.337181182	0.234053488	0.153596323	0.137113337	0.161830988	0.123599881	0.127730229	0.327876794	0.072227637	0.217883555	0.073239661	0.292030962	4.68240813	0.555825973	0.205074183	0.64493369	0.406604138	0.318405778	0.500978287	0.53622999	0.34880251	0.249940219	0.241164537	0.151326467	0.154945492	0.179761815	0.329509032	0.208082244	0.483469502	0.081904758	0.235440245	0.100896131	0.379622508	0.649715155	0.518464797	0.473795459	0.531060293	0.506962966	0.334737778	0.469450192	0.536544421	0.452669144	0.665547691	0.173733563	0.056582208	0.576123676	0.207941836	0.602774456	0.268211811	0.087742546	0.208335014	0.073521558	0.167299329
Leucine	1.941324504	0.902577629	0.916592868	1.378107774	1.002390936	2.102509638	2.198213535	0.790330929	1.187309004	1.452636365	1.232458007	0.252886784	1.568172412	0.677021467	0.376023653	0.614928138	0.662852422	0.94433981	0.803302891	0.707006029	1.298566515	0.986980592	1.066975246	1.506791806	2.298090298	2.51179486	0.680556417	1.132365558	1.216168716	1.677029599	0.603668081	0.73850519	1.313898593	0.643300622	0.587308254	0.575939916	1.478999318	0.709818351	0.839940358	0.628334054	0.638070044	2.193996285	1.594588481	1.119452283	1.024925095	1.388116116	1.16080964	1.286712783	0.58563203	1.091211224	0.917323634	0.251181625	0.668848278	0.796160163	0.584345158	0.409504367	0.607102416	0.587869509	0.860488537	0.629498505	1.149827668	0.621273469
Lysine	0.957725502	1.097518367	1.153135801	1.274895211	1.089880438	1.385550706	1.157374758	1.283309325	1.131789486	0.821704139	1.328706701	0.606921169	1.200153082	1.102147463	0.860821982	0.632080998	1.175421866	1.376986476	1.153292	1.361944909	1.16621462	1.10959641	1.220342571	1.421620045	1.27809572	1.349977591	1.514563274	0.732881881	1.235019015	0.973238834	0.77077193	1.117299519	1.089744086	1.239309334	0.881404622	0.945303448	0.919507253	1.01839804	0.868966908	1.064067634	1.046242437	1.169294543	0.977237078	1.374235817	0.994508233	0.852002445	0.994337928	0.671426181	1.403525569	1.049473646	1.100859931	1.371661364	1.336117864	0.76171323	1.355549239	1.472902168	0.89218568	1.188918232	0.719528547	0.950465383	1.04656636	1.286471161
Methionine	0.912628327	0.861025293	0.575977939	0.660418426	0.727791225	1.597934945	0.967833173	1.012432165	1.008795017	0.816242842	4.01668019	0.777266339	0.985467005	2.598549468	0.449254304	1.029854083	1.349790244	2.149016868	1.78465215	1.473919354	0.663379901	0.743046853	0.600793038	0.844830283	0.934481667	1.635360247	0.837678396	0.755597307	0.906281378	0.934044068	0.980434785	1.376267936	1.089329934	1.637633416	0.717071302	0.469731786	2.379143662	1.139514827	1.231012737	1.301282692	1.475461648	0.870230893	1.294831618	0.963722013	0.681555258	0.716949256	0.876453899	0.712993794	0.567878371	0.85656659	0.463260739	0.426487013	0.896249971	1.773951783	1.355635173	1.770669223	0.964780288	1.787847526	0.2682673	1.314587429	1.123031329	2.124807025
N-Acetylglutamine	1.051540029	2.083250195	1.161748083	0.986588538	0.917072474	1.882617348	1.777707602	1.651094414	1.34627605	0.933067023	0.819844209	0.4532429	1.23752535	1.030882188	0.722443289	0.521630398	0.830328194	1.022399325	0.869233728	1.328003174	0.95947597	1.83387149	1.542967831	1.269823365	2.233931157	2.188446489	1.008456225	0.927670593	1.00108289	1.235178773	0.66879369	0.597093356	1.200479643	0.980692399	0.988746057	0.787989256	1.464323206	0.840562149	0.774309568	0.723714471	1.32425	0.942238724	1.38548899	1.380362878	0.818520367	1.411139032	1.332040537	1.144213732	0.847294928	1.053029763	1.627960333	1.290752648	1.409138886	0.986993994	0.818524968	0.547364571	1.262259065	1.292821658	0.499311673	1.082539532	1.519795725	0.647592351
NG-monomethyl-L-arginine	1.330825395	1.062285506	1.525871231	1.347681454	1.176475626	1.229385898	1.164772615	1.000411883	1.251039345	1.367444562	0.683345632	0.259703136	0.448106526	0.724094388	0.76529288	0.479271105	0.6027195	0.709567803	0.477404789	0.975312655	1.525567172	1.117716664	1.094764229	1.132970686	0.984525513	1.071475878	0.96361993	1.480559017	1.017029008	1.263267663	0.342058961	0.736604856	0.345013391	0.745700816	0.837063369	0.754461747	0.66568095	0.548599517	0.751428123	0.539994685	0.907822048	1.297743974	1.290234824	0.94096077	1.398389855	1.638250463	2.212166879	1.369326404	0.456440498	1.674349694	0.883108664	1.170283485	0.907052693	0.499948767	1.033290254	0.635840968	0.862368209	1.545521207	0.407031751	1.282763098	0.694611483	0.714888822
Ornithine	1.003201862	1.33232802	1.434041494	0.728663993	1.120794424	1.818851056	2.432546256	0.98802572	1.928678361	1.63672841	0.788142663	0.285977814	0.553470369	0.220160489	0.370923568	0.275507162	0.558807408	0.430029372	0.494447743	0.859632301	0.72695174	1.357560922	1.243147302	0.951305738	2.63958894	1.84406431	0.659001954	2.036051973	0.786853161	1.71148445	0.309708486	0.428337977	0.540850561	0.199010695	0.504196897	0.345079601	0.402370259	0.602093258	0.398867152	0.386006579	0.799763014	0.762541304	1.083549941	2.349505657	2.856334447	3.747396626	1.611653548	0.803249117	1.694257929	1.233848383	1.846657615	0.181309943	0.536614067	0.124080586	0.657397598	0.392191625	0.344507466	0.562261177	0.37302307	0.449318467	0.430831108	0.594238387
Phenylalanine	1.244707659	0.966231091	0.918576724	1.292482569	0.967697945	1.945610843	1.306687984	1.023992175	0.786759985	1.058051497	1.96946299	0.486214399	1.829578935	1.058243026	0.754649189	0.669122679	1.225918014	1.058752679	1.444597934	1.025276445	0.871933335	0.87898452	0.978293421	1.392544526	1.338350849	1.810267882	0.805791385	0.831546697	1.017041726	0.994804915	0.867927979	1.044948471	1.570217102	0.904126362	0.846267415	1.142384919	1.539874347	1.134452265	0.807104325	1.238983892	0.900612241	0.97280662	1.162974058	1.167418354	1.119699273	1.334212761	1.06688175	0.845071513	0.908405972	0.923847928	0.817439519	0.496079278	0.762941129	0.570591213	1.669739094	0.680175271	1.348171088	1.18151826	0.805441053	0.87865954	1.260881915	1.244812426
Proline	0.883989327	0.686319104	0.584095468	0.968255275	0.789562102	1.117619451	1.007550334	0.746706532	0.739483384	0.747926648	1.011612922	0.633458197	0.80055063	2.275745618	0.665846957	0.552808041	0.688422227	0.356382619	1.075344739	0.410844154	0.854445525	0.961263515	0.66638875	1.231779116	0.997478841	1.340408391	0.699127081	1.337077694	0.912128792	0.734893689	0.596112722	0.507076971	0.714505368	1.059483397	0.968360622	0.669527689	0.952080403	0.638559528	0.485248951	1.015659384	0.516995921	0.75021958	1.102460525	0.850633252	2.03293269	1.586434778	0.708713734	0.67570283	0.715969675	2.125599907	2.14134926	0.361314516	0.830696064	0.865960171	1.552932103	2.298695746	0.808833011	2.080645276	0.586368618	1.73977163	0.559768527	2.187197421
Purine	1.024825675	0.967539142	0.928469939	1.299599105	0.727638868	1.928420758	1.183853443	0.780253996	1.086845402	1.088040169	1.654371219	0.604760778	1.579807693	1.357482651	0.810943534	0.647205363	1.498540633	1.159450774	1.312969008	0.979963706	1.044651942	0.888528981	0.97891904	1.486440475	1.352145428	2.056967453	0.950000118	0.795178142	1.016876723	1.331105379	1.082193206	0.817916159	1.543617851	0.969711631	1.055321367	1.528745998	1.495685272	1.043897973	0.979511017	1.487539663	0.850526944	1.338179534	1.320855311	0.955367125	1.130154289	0.925541887	1.375659897	0.864217432	1.160274777	1.105323713	0.900759763	0.612776204	0.758018249	0.715324533	1.239606676	0.741455179	1.059697181	0.906157082	0.599520283	0.701978665	1.006162077	0.950963324
Pyridoxine	1.234021441	0.774651543	0.933107356	1.073735717	0.929549065	1.214170196	1.076723713	1.349077014	1.092343381	1.018557464	1.395099951	0.650968719	1.295555938	1.069868528	0.818761398	0.568476831	0.969412648	0.809131486	0.891306756	1.287554529	1.032485429	0.938742103	0.980768274	1.408947904	1.313155578	1.102456919	1.161040127	0.879791948	1.217483687	0.911709725	0.778428086	1.002632417	1.011847578	1.320973528	0.708331502	0.786625727	0.686233058	0.851547772	0.629523832	0.816611044	1.028806147	1.450555832	0.908120538	1.349008653	0.814613385	0.970339988	0.978817688	0.890062957	1.21884189	1.449392994	0.794309663	0.546389388	1.231608804	1.143079827	1.130732922	1.24923456	1.128625766	1.102894031	1.039001406	0.995729878	0.973912101	1.073006853
Serine	0.949610335	0.664588384	0.697144816	0.596952117	0.758711291	1.147818315	0.932031975	1.71625888	0.740203055	0.71430075	2.725120263	0.781639022	1.627255423	2.243494181	0.877787619	0.741468513	0.959789661	1.80036256	1.486133288	1.241601542	0.861947623	0.806445587	0.920033518	2.04995773	1.090838013	1.211268532	1.262798295	0.637562122	0.669891754	0.873136268	1.191921495	1.492519806	1.792104512	1.823371771	1.012626848	0.853962422	1.247661459	0.87486125	1.306533983	1.31084524	1.229761952	0.849217571	1.071701047	0.838562113	1.034212666	0.914659487	0.948881649	0.774614976	0.772819367	0.916833904	0.731194837	0.494542818	1.106010492	1.163463144	1.717565973	1.984539324	1.099793048	1.99567992	0.78958887	1.519884955	0.642449359	1.952015604
Serotonin	0.827219979	0.952346452	0.838794326	0.73794447	0.8096269	1.359313276	0.883832497	1.215425356	1.100978935	0.771292736	0.846885766	0.593655426	0.89298742	0.777751732	0.811149017	0.620248442	0.984881391	0.262690662	1.584489503	0.59573045	0.856282539	0.979972994	0.623605702	0.601511198	0.716274113	1.326049621	0.963795669	0.904491227	0.932727527	0.689755309	0.825594808	0.815221851	0.868013432	0.89733899	1.445546725	0.923253776	1.856778806	1.180051014	0.408674952	1.362560744	0.430231343	0.867458679	1.114318169	0.920545303	1.893029662	0.790316277	1.185697527	0.610224325	1.261104969	0.748035367	0.94398889	0.266152678	0.766563331	0.732020901	1.683653035	1.050700029	1.197574897	1.368148898	0.570466564	0.942539848	1.000929378	1.72042439
Spermine	0.981986431	2.099717542	0.956734756	0.998954628	0.773431264	1.149131328	1.136154924	0.794424184	0.836435728	0.800832617	0.995488459	0.449713642	0.810069746	0.796151905	0.84141106	0.351179799	0.730995056	0.930913226	0.821611813	1.244506021	0.821898934	2.075634759	0.840297096	1.062803988	1.206403697	1.028538106	0.702990689	0.654257249	0.735841961	0.806481988	0.7597939	0.80692659	0.774522251	0.864593199	0.89693085	1.078229665	0.591314288	0.701604988	0.650092828	0.722189727	1.225376963	0.913875579	1.018569259	1.096597018	0.894650469	1.124806416	0.962277034	0.828871698	0.82691219	1.030307485	0.859306512	1.478479877	0.582466615	0.477978976	1.214211211	0.783589443	1.05848162	1.112052147	0.521068925	0.966199322	0.677566114	0.760808826
Taurine	1.494959804	1.000569768	0.764565717	1.192032633	1.242954801	1.139810939	0.779580857	1.099337501	0.990293543	1.552295445	0.783916903	0.579005129	0.855481561	0.895088377	0.539788929	0.492237596	1.028812695	0.728705615	0.855441193	0.965683338	1.109679208	0.485708762	0.694340592	0.952928183	1.422799051	1.210614546	0.757988967	0.90380475	1.231474833	1.376255498	0.852321633	0.735973449	0.849035136	0.694396388	0.41916479	0.525706601	0.7153326	1.156278868	0.762847308	0.700183733	0.662253505	1.077997644	1.047104674	1.208881193	0.960898674	1.094604677	1.361774224	1.268827232	1.420905789	1.06516706	0.598964959	0.81611751	0.573519128	0.645450621	0.614871371	0.476149362	0.791363291	1.066607476	1.06932483	0.95999998	0.95717772	0.574072106
Threonine	1.298005085	1.043435989	0.689364924	1.198745124	0.676866079	1.271906072	0.934025128	1.238676075	0.915204347	0.949547212	1.821818646	0.566686841	1.292308859	1.058134307	0.628603629	0.461133528	1.391470695	1.471591934	1.464165173	1.570031496	1.107365712	1.054407475	0.721127098	1.036473464	1.007116646	1.448271488	0.854674161	0.732468843	0.815197494	0.985865817	0.737711507	1.014735118	0.933275775	0.906110484	0.607756175	0.286885847	0.822466383	1.39505113	1.12344863	1.265787172	1.30488345	1.08165808	0.850648362	0.966707859	1.260581546	0.686864392	1.006970107	0.88225476	0.561499473	0.675482417	1.094281579	0.626431292	0.71094268	1.222302287	1.444388492	0.944807756	1.111946034	0.862259267	0.700079308	0.59038454	1.019316493	1.717188919
Thyroxine	1.280159555	1.207776227	1.207875737	1.132366763	1.184227986	1.172354423	0.911141056	1.499826579	1.052861824	1.593089792	1.140745421	0.32793454	0.790592086	0.45265296	0.570852042	0.705431277	1.246311069	0.57837358	0.989279648	0.900701577	1.838814042	1.010364744	0.879373769	1.61250613	0.956157687	1.095809675	1.412974572	1.730381998	1.894315374	1.655170879	0.709207388	0.58879228	0.866555834	0.534335808	0.629918033	0.621228327	0.918994765	1.314757557	0.684560318	1.110417806	0.523449939	0.889540355	0.698005927	0.727647625	2.356185845	1.65195139	0.807525579	0.783982796	0.69655344	0.690246357	0.941259557	0.503498599	0.466804522	0.606200209	0.514584797	0.526535439	0.495402214	0.592171793	0.432079954	0.674058394	0.429954818	0.644055895
trans-hydroxyproline	0.997654544	0.960525427	1.026800097	1.016263308	1.12450824	0.778981698	1.019427765	0.890580459	0.919064431	0.977905154	0.7835808	1.030777962	0.992815236	1.065327421	0.966144157	0.840120095	0.615771617	0.830669765	0.859403259	0.972132354	0.763080383	0.945594192	1.001712944	1.090523594	1.126871602	0.881983573	0.91066496	1.022600444	1.018968272	0.984339057	0.983269206	1.015033787	1.085543395	1.175994003	0.890365144	0.821485084	0.985958229	0.947245931	0.922916489	0.702535852	0.966839223	1.148314043	0.986534162	1.039121239	1.035575935	1.037925327	0.980664734	1.126540202	1.224372007	1.199737117	1.031517297	0.970111406	1.093068127	1.098041338	1.01819744	1.038418	0.953556693	0.987808571	1.043509477	0.929630533	0.991199944	0.958432011
Trimethylamine N-oxide	0.456568245	4.036463524	0.505855136	0.715291398	0.169993174	4.161640623	5.648316694	0.498061942	0.648531793	0.66723498	0.710157824	0.162352617	0.194646892	0.286269455	0.17143092	0.157308875	0.263996457	1.013423959	0.288330428	0.288553369	0.396248139	4.034804286	0.575462237	0.808351214	6.146680925	3.712235649	0.452212003	0.644193393	0.155494824	0.718772585	0.187990485	0.624703593	0.173949952	0.23385729	0.158661235	0.883473756	0.190353356	0.253361877	0.81008281	0.296242284	0.247625036	0.435484452	1.044441537	2.759441091	0.498737761	2.185778308	0.724711823	3.239033182	1.674213235	0.926962364	0.420788258	0.450377475	0.215082637	0.12640555	0.579027757	0.393694773	0.496618728	0.651336454	0.289946311	0.572518215	0.2548927	0.240476359
Tryptophan	1.498356543	0.628428822	1.088639262	0.989174614	1.01360061	1.87791067	0.971565021	1.069068214	1.740033463	1.17956795	1.32523544	0.241030311	0.687091631	0.828860853	0.207214053	0.838924968	0.924427784	0.837406546	1.391848506	0.420409976	1.544527133	0.661375006	1.266497631	1.145213278	1.361586366	1.590696455	0.811985077	1.45889234	0.94312417	1.023983157	0.493307823	0.750477577	0.552500664	0.729692126	0.323282514	0.406616813	1.194877246	0.919967497	0.651207087	1.233356672	0.430976004	1.209142531	1.361787662	1.379031282	1.234479943	1.509730374	1.185904689	1.118908139	1.471142819	1.068988696	0.755519356	0.136161639	0.232307688	0.406189827	0.987390455	0.32174724	0.90519068	0.28335625	0.340207756	0.20590348	0.802805769	0.861177779
Tyrosine	1.403776674	0.740993489	0.631962946	0.847843973	0.742038214	1.700405244	1.03862566	0.628629666	1.380091895	0.988916261	1.627143748	0.415103048	1.048919624	1.044868578	0.492544411	0.688852489	0.903232958	1.346605522	1.238759741	0.799918669	0.895505213	0.698317669	0.778023374	0.905984838	1.258504399	1.514533238	0.410528794	1.113817274	0.875342447	0.868293812	0.76431618	1.057331358	0.826819775	0.912215665	0.514725177	0.740313729	1.483763205	0.885162074	0.847577055	0.95516769	0.705988008	1.050951619	1.289328379	1.78603649	0.688498423	1.119270584	1.490137825	1.182294827	1.312789608	0.977869348	0.68445125	0.327519218	0.53211891	0.421789911	0.828370658	0.540932411	0.752345278	1.66689606	0.502780064	1.174497612	0.913318829	0.907820979
Uridine	1.981736238	1.04521875	1.354629228	1.621725233	1.407663412	1.599748731	1.468269669	0.635324469	0.95204823	1.45799863	0.29134085	0.796626083	2.102722167	0.329028083	0.222133213	0.856879464	1.033512906	0.122810683	0.265323176	0.285723475	1.220711173	0.951813808	1.470426551	1.394984354	1.577254864	0.894426548	0.765642249	0.668274023	1.173755829	1.654312232	1.111082787	0.631855041	1.859651903	0.274172229	0.658955444	0.506347374	0.672622393	1.087802578	0.139787304	0.379453389	0.714958372	1.560549476	1.447023147	1.068951063	0.954572786	1.079736327	1.445489829	1.20481799	0.949941986	0.21072535	0.91722433	0.12753073	0.684014897	0.275269301	1.107050469	0.319811295	0.737863878	0.726592544	1.297044885	1.103353186	0.375697943	0.39854306
Valine	2.049088576	0.909514627	0.965966662	1.809331273	1.00504461	1.704748196	1.797618392	0.706855377	1.284002221	1.502037212	0.823537864	0.323866013	1.349564746	0.510173087	0.430826102	0.402364617	0.611706807	1.395439381	0.554086822	0.534962526	1.621003748	0.965263897	0.969797413	1.679961926	1.877810675	1.845942785	0.664030745	1.186519509	0.979982728	1.510913729	0.511256122	0.609311046	1.09776503	0.583582993	0.542447065	0.385120392	0.777746672	0.571291726	1.626958214	0.525284818	0.481260726	1.809975267	1.642411971	0.994458669	1.583062017	1.647658544	1.259745778	1.263984142	1.002335545	1.014896252	1.262952184	0.351589129	0.780935982	0.361211517	1.208184167	0.360136424	1.082332155	0.685836131	1.160179627	0.508070602	0.989569636	0.522836101
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
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
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
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