#METABOLOMICS WORKBENCH STUDY_ID:ST000166 ANALYSIS_ID:AN000259 PROJECT_ID:PR000144
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	Cardiac Resynchronization Therapy Induces Adaptive Metabolic Transitions in the
PR:PROJECT_TITLE                 	Profile of Heart Failure
PR:PROJECT_SUMMARY               	Background: Heart failure (HF) is associated with ventricular dyssynchrony and
PR:PROJECT_SUMMARY               	inefficiency, which can be alleviated by cardiac resynchronization therapy
PR:PROJECT_SUMMARY               	The aim of this study was to determine the metabolomic signature in HF and its
PR:PROJECT_SUMMARY               	value for the response to CRT. Methods: This prospective study consisted of
PR:PROJECT_SUMMARY               	patients undergoing CRT for advanced HF and 10 control patients who underwent
PR:PROJECT_SUMMARY               	ablation for supraventricular arrhythmia but not CRT. Blood samples were
PR:PROJECT_SUMMARY               	before and 3 months after CRT. Metabolomic profiling of plasma samples was
PR:PROJECT_SUMMARY               	using gas chromatography–mass spectrometry and nuclear magnetic resonance.
PR:PROJECT_SUMMARY               	The plasma metabolomic profile was altered in the HF patients, with a distinct
PR:PROJECT_SUMMARY               	of metabolites, including Krebs cycle and lipid, amino acid, and nucleotide
PR:PROJECT_SUMMARY               	CRT improved the metabolic profile. The succinate/glutamate ratio, an index of
PR:PROJECT_SUMMARY               	cycle activity, improved from 0.58?0.13 to 2.84?0.60 (P<.05). The
PR:PROJECT_SUMMARY               	ratio, an indicator of the balance between glycolytic and fatty acid
PR:PROJECT_SUMMARY               	increased from 0.96?0.05 to 1.54?0.09 (P<.01). Compared with the nonresponders
PR:PROJECT_SUMMARY               	CRT, the responders had a distinct baseline plasma metabolomic profile,
PR:PROJECT_SUMMARY               	higher isoleucine, phenylalanine, leucine, glucose, and valine levels and lower
PR:PROJECT_SUMMARY               	levels at baseline (P<.05). Conclusion: CRT improves plasma metabolomic
PR:PROJECT_SUMMARY               	of HF patients indicating harmonization of myocardial energy substrate
PR:PROJECT_SUMMARY               	CRT responders may have a favorable metabolic profile as a potential biomarker
PR:PROJECT_SUMMARY               	predicting CRT outcome.
PR:INSTITUTE                     	Mayo Clinic
PR:DEPARTMENT                    	Department of Medicine
PR:LAST_NAME                     	Cha
PR:FIRST_NAME                    	Yong-Mei
PR:ADDRESS                       	-
PR:EMAIL                         	ycha@mayo.edu
PR:PHONE                         	-
#STUDY
ST:STUDY_TITLE                   	Cardiac Resynchronization Therapy Induces Adaptive Metabolic Transitions in the
ST:STUDY_TITLE                   	Profile of Heart Failure
ST:STUDY_TYPE                    	intervention
ST:STUDY_SUMMARY                 	This prospective study consisted of 24 patients undergoing CRT for advanced HF
ST:STUDY_SUMMARY                 	10 control patients who underwent catheter ablation for supraventricular
ST:STUDY_SUMMARY                 	but not CRT. Blood samples were collected before and 3 months after CRT.
ST:STUDY_SUMMARY                 	profiling of plasma samples was performed using gas chromatography–mass
ST:STUDY_SUMMARY                 	and nuclear magnetic resonance.
ST:INSTITUTE                     	Mayo Clinic
ST:DEPARTMENT                    	Department of Medicine
ST:LAST_NAME                     	Cha
ST:FIRST_NAME                    	Yong-Mei
ST:ADDRESS                       	-
ST:EMAIL                         	ycha@mayo.edu
ST:PHONE                         	-
ST:NUM_GROUPS                    	3
ST:TOTAL_SUBJECTS                	24
#SUBJECT
SU:SUBJECT_TYPE                  	Humans
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9096
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	3M_2	Group:3M | State:Res	Obesity (BMI>30=1)=0; Ischemia (1)=1; Age=71; Diabetes (1)=0; HTN (1)=0; CAD (1)=1; Beta (1)=0; Digoxin (1)=1; warfarin (1)=0; ASA (1)=1; Ace (1)=1; Statin (1)=0; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_20	Group:3M | State:Res	Obesity (BMI>30=1)=0; Ischemia (1)=1; Age=76; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=0; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_23	Group:3M | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=44; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=0; Digoxin (1)=0; warfarin (1)=0; ASA (1)=0; Ace (1)=1; Statin (1)=0; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_26	Group:3M | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=43; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=0; Ace (1)=0; Statin (1)=0; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_28	Group:3M | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=69; Diabetes (1)=0; HTN (1)=1; CAD (1)=1; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_30	Group:3M | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=1; Age=74; Diabetes (1)=1; HTN (1)=1; CAD (1)=1; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_34	Group:3M | State:Res	Obesity (BMI>30=1)=0; Ischemia (1)=1; Age=76; Diabetes (1)=0; HTN (1)=1; CAD (1)=1; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=1; Ace (1)=0; Statin (1)=1; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_6	Group:3M | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=1; Age=80; Diabetes (1)=1; HTN (1)=1; CAD (1)=1; Beta (1)=1; Digoxin (1)=1; warfarin (1)=0; ASA (1)=1; Ace (1)=0; Statin (1)=1; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_7	Group:3M | State:Res	Obesity (BMI>30=1)=0; Ischemia (1)=0; Age=52; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_9	Group:3M | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=58; Diabetes (1)=1; HTN (1)=1; CAD (1)=0; Beta (1)=1; Digoxin (1)=1; warfarin (1)=0; ASA (1)=1; Ace (1)=0; Statin (1)=0; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_10	Group:3M | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=47; Diabetes (1)=0; HTN (1)=0; CAD (1)=1; Beta (1)=0; Digoxin (1)=1; warfarin (1)=0; ASA (1)=1; Ace (1)=0; Statin (1)=1; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_14	Group:3M | State:Unres	Obesity (BMI>30=1)=0; Ischemia (1)=1; Age=77; Diabetes (1)=0; HTN (1)=1; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=1; Ace (1)=0; Statin (1)=0; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_17	Group:3M | State:Unres	Obesity (BMI>30=1)=0; Ischemia (1)=1; Age=87; Diabetes (1)=0; HTN (1)=0; CAD (1)=1; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=0; Ace (1)=1; Statin (1)=0; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_24	Group:3M | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=47; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=0; Ace (1)=1; Statin (1)=0; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_27	Group:3M | State:Unres	Obesity (BMI>30=1)=0; Ischemia (1)=0; Age=61; Diabetes (1)=0; HTN (1)=1; CAD (1)=0; Beta (1)=0; Digoxin (1)=0; warfarin (1)=0; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_33	Group:3M | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=76; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=0; Ace (1)=0; Statin (1)=1; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_4	Group:3M | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=82; Diabetes (1)=0; HTN (1)=1; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=0; Statin (1)=1; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_5	Group:3M | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=42; Diabetes (1)=1; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=0; Ace (1)=0; Statin (1)=1; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	3M_8	Group:3M | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=63; Diabetes (1)=1; HTN (1)=0; CAD (1)=1; Beta (1)=1; Digoxin (1)=1; warfarin (1)=0; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=NA; EF<25equals1=NA
SUBJECT_SAMPLE_FACTORS           	-	11_1	Group:Control | State:Control	Obesity (BMI>30=1)=0; Ischemia (1)=0; Age=66; Diabetes (1)=0; HTN (1)=1; CAD (1)=1; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=0; Statin (1)=0; EF%=65; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	12_1	Group:Control | State:Control	Obesity (BMI>30=1)=; Ischemia (1)=0; Age=62; Diabetes (1)=0; HTN (1)=; CAD (1)=; Beta (1)=; Digoxin (1)=; warfarin (1)=; ASA (1)=; Ace (1)=; Statin (1)=; EF%=; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	13_1	Group:Control | State:Control	Obesity (BMI>30=1)=0; Ischemia (1)=0; Age=65; Diabetes (1)=0; HTN (1)=1; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=0; Ace (1)=0; Statin (1)=0; EF%=65; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	15_1	Group:Control | State:Control	Obesity (BMI>30=1)=0; Ischemia (1)=0; Age=71; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=0; Ace (1)=0; Statin (1)=0; EF%=64; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	16_1	Group:Control | State:Control	Obesity (BMI>30=1)=0; Ischemia (1)=0; Age=37; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=0; Digoxin (1)=0; warfarin (1)=0; ASA (1)=0; Ace (1)=0; Statin (1)=0; EF%=63; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	18_1	Group:Control | State:Control	Obesity (BMI>30=1)=0; Ischemia (1)=0; Age=83; Diabetes (1)=0; HTN (1)=1; CAD (1)=0; Beta (1)=0; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=0; Statin (1)=0; EF%=65; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	19_1	Group:Control | State:Control	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=69; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=0; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=0; Statin (1)=0; EF%=66; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	21_1	Group:Control | State:Control	Obesity (BMI>30=1)=0; Ischemia (1)=0; Age=51; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=1; Ace (1)=0; Statin (1)=0; EF%=59; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	22_1	Group:Control | State:Control	Obesity (BMI>30=1)=0; Ischemia (1)=0; Age=72; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=0; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=0; Statin (1)=0; EF%=55; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	29_1	Group:Control | State:Control	Obesity (BMI>30=1)=0; Ischemia (1)=0; Age=72; Diabetes (1)=0; HTN (1)=1; CAD (1)=0; Beta (1)=0; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=63; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	2_1	Group:HF | State:Res	Obesity (BMI>30=1)=0; Ischemia (1)=1; Age=71; Diabetes (1)=0; HTN (1)=0; CAD (1)=1; Beta (1)=0; Digoxin (1)=1; warfarin (1)=0; ASA (1)=1; Ace (1)=1; Statin (1)=0; EF%=18; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	23_1	Group:HF | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=44; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=0; Digoxin (1)=0; warfarin (1)=0; ASA (1)=0; Ace (1)=1; Statin (1)=0; EF%=12; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	25_1	Group:HF | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=1; Age=67; Diabetes (1)=1; HTN (1)=1; CAD (1)=1; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=20; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	26_1	Group:HF | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=43; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=0; Ace (1)=0; Statin (1)=0; EF%=14; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	28_1	Group:HF | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=69; Diabetes (1)=0; HTN (1)=1; CAD (1)=1; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=21; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	30_1	Group:HF | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=1; Age=74; Diabetes (1)=1; HTN (1)=1; CAD (1)=1; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=20; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	3_1	Group:HF | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=39; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=1; warfarin (1)=0; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=21; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	34_1	Group:HF | State:Res	Obesity (BMI>30=1)=0; Ischemia (1)=1; Age=76; Diabetes (1)=0; HTN (1)=1; CAD (1)=1; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=1; Ace (1)=0; Statin (1)=1; EF%=18; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	6_1	Group:HF | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=1; Age=80; Diabetes (1)=1; HTN (1)=1; CAD (1)=1; Beta (1)=1; Digoxin (1)=1; warfarin (1)=0; ASA (1)=1; Ace (1)=0; Statin (1)=1; EF%=15; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	7_1	Group:HF | State:Res	Obesity (BMI>30=1)=0; Ischemia (1)=0; Age=52; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=21; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	9_1	Group:HF | State:Res	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=58; Diabetes (1)=1; HTN (1)=1; CAD (1)=0; Beta (1)=1; Digoxin (1)=1; warfarin (1)=0; ASA (1)=1; Ace (1)=0; Statin (1)=0; EF%=33; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	20_1	Group:HF | State:uc	Obesity (BMI>30=1)=0; Ischemia (1)=1; Age=76; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=0; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=45; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	32_1	Group:HF | State:uc	Obesity (BMI>30=1)=1; Ischemia (1)=1; Age=56; Diabetes (1)=1; HTN (1)=1; CAD (1)=1; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=0; Statin (1)=0; EF%=25; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	10_1	Group:HF | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=47; Diabetes (1)=0; HTN (1)=0; CAD (1)=1; Beta (1)=0; Digoxin (1)=1; warfarin (1)=0; ASA (1)=1; Ace (1)=0; Statin (1)=1; EF%=30; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	1_1	Group:HF | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=1; Age=76; Diabetes (1)=1; HTN (1)=1; CAD (1)=1; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=15; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	14_1	Group:HF | State:Unres	Obesity (BMI>30=1)=0; Ischemia (1)=1; Age=77; Diabetes (1)=0; HTN (1)=1; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=1; Ace (1)=0; Statin (1)=0; EF%=23; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	17_1	Group:HF | State:Unres	Obesity (BMI>30=1)=0; Ischemia (1)=1; Age=87; Diabetes (1)=0; HTN (1)=0; CAD (1)=1; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=0; Ace (1)=1; Statin (1)=0; EF%=25; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	24_1	Group:HF | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=47; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=0; ASA (1)=0; Ace (1)=1; Statin (1)=0; EF%=43; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	27_1	Group:HF | State:Unres	Obesity (BMI>30=1)=0; Ischemia (1)=0; Age=61; Diabetes (1)=0; HTN (1)=1; CAD (1)=0; Beta (1)=0; Digoxin (1)=0; warfarin (1)=0; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=21; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	33_1	Group:HF | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=76; Diabetes (1)=0; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=0; Ace (1)=0; Statin (1)=1; EF%=30; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	4_1	Group:HF | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=82; Diabetes (1)=0; HTN (1)=1; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=1; Ace (1)=0; Statin (1)=1; EF%=20; EF<25equals1=1
SUBJECT_SAMPLE_FACTORS           	-	5_1	Group:HF | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=42; Diabetes (1)=1; HTN (1)=0; CAD (1)=0; Beta (1)=1; Digoxin (1)=0; warfarin (1)=1; ASA (1)=0; Ace (1)=0; Statin (1)=1; EF%=26; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	8_1	Group:HF | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=63; Diabetes (1)=1; HTN (1)=0; CAD (1)=1; Beta (1)=1; Digoxin (1)=1; warfarin (1)=0; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=25; EF<25equals1=0
SUBJECT_SAMPLE_FACTORS           	-	8_1A	Group:HF | State:Unres	Obesity (BMI>30=1)=1; Ischemia (1)=0; Age=63; Diabetes (1)=1; HTN (1)=0; CAD (1)=1; Beta (1)=1; Digoxin (1)=1; warfarin (1)=0; ASA (1)=1; Ace (1)=1; Statin (1)=1; EF%=25; EF<25equals1=0
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood samples were taken from a peripheral vein. These blood samples (5 mL)
CO:COLLECTION_SUMMARY            	collected into EDTA tubes containing 100 ?L of injected stop solution
CO:COLLECTION_SUMMARY            	?M; EHNA, 5 ?M; iodotubercidin, 2 ?M; AOPCP, 50 ?M, in 0.9% NaCl) to reduce
CO:COLLECTION_SUMMARY            	nucleotide metabolism; stored on ice; and then centrifuged at 3,200 rpm for 10
CO:COLLECTION_SUMMARY            	at 4°C. Plasma aliquots were stored at ?80°C until analyses.
#TREATMENT
TR:TREATMENT_SUMMARY             	Heart failure|3-month follow up after cardiac resynchronization therapy
TR:TREATMENT_PROTOCOL_COMMENTS   	All HF patients underwent a baseline evaluation before CRT, including
TR:TREATMENT_PROTOCOL_COMMENTS   	of New York Heart Association (NYHA) functional class, concomitant
TR:TREATMENT_PROTOCOL_COMMENTS   	conditions (e.g., hypertension, coronary artery disease, and diabetes
TR:TREATMENT_PROTOCOL_COMMENTS   	electrocardiographic QRS duration and morphologic characteristics, and
TR:TREATMENT_PROTOCOL_COMMENTS   	echocardiography. Echocardiographic parameters included LV end-systolic and
TR:TREATMENT_PROTOCOL_COMMENTS   	dimensions, LVEF, and pulmonary artery systolic pressure. Medication use was
TR:TREATMENT_PROTOCOL_COMMENTS   	and confirmed that patients were taking optimal medication dose for HF.
TR:TREATMENT_PROTOCOL_COMMENTS   	continued on stable medication dosage during the study.|The HF patients
TR:TREATMENT_PROTOCOL_COMMENTS   	for a clinical follow-up 3 months after CRT. The NYHA functional class was
TR:TREATMENT_PROTOCOL_COMMENTS   	and echocardiography was repeated.|Ten age-matched control patients underwent
TR:TREATMENT_PROTOCOL_COMMENTS   	ablation for supraventricular arrhythmia with a normal left ventricular
TR:TREATMENT_PROTOCOL_COMMENTS   	fraction (LVEF) of greater than 55%.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For gas chromatography–mass spectrometry (GC-MS), plasma (100 ?L) was
SP:SAMPLEPREP_SUMMARY            	using a 900-?L methanol:water (8:1, v/v) mixture containing 5 ?g internal
SP:SAMPLEPREP_SUMMARY            	myristic-d27 acid, at ambient temperature 33. Supernatant (900 ?L) was
SP:SAMPLEPREP_SUMMARY            	and completely dried in a vacuum concentrator. Subsequently, the tubes were
SP:SAMPLEPREP_SUMMARY            	and derivatized and then analyzed using an Agilent 6890 GC oven with Agilent
SP:SAMPLEPREP_SUMMARY            	MS 34. Sample Treatment and Instrumental Conditions for 1H NMR Metabolomic
SP:SAMPLEPREP_SUMMARY            	For nuclear magnetic resonance (NMR) imaging, plasma (60 ?L) was diluted 140 ?L
SP:SAMPLEPREP_SUMMARY            	0.2M phosphate buffer (pH 7.4):D2O containing a mixture of 16 mM formate and 4
SP:SAMPLEPREP_SUMMARY            	TSP (1:1, v/v). After filtering (0.22 ?m), the samples were transferred into a
SP:SAMPLEPREP_SUMMARY            	NMR tube. High-resolution 1H NMR spectra were acquired at 600 MHz on a Bruker
SP:SAMPLEPREP_SUMMARY            	III 600 spectrometer. Spectra peaks were identified according to Chenomx NMR
SP:SAMPLEPREP_SUMMARY            	6.1 software and data in the literature 35, 36.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Methods-For-Upload.docx
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	For gas chromatographymass spectrometry (GC-MS), plasma (100 ?L) was extracted
CH:CHROMATOGRAPHY_SUMMARY        	a 900-?L methanol:water (8:1, v/v) mixture containing 5 ?g internal standard,
CH:CHROMATOGRAPHY_SUMMARY        	acid, at ambient temperature 33. Supernatant (900 ?L) was transferred and
CH:CHROMATOGRAPHY_SUMMARY        	dried in a vacuum concentrator. Subsequently, the tubes were methoximated and
CH:CHROMATOGRAPHY_SUMMARY        	and then analyzed using an Agilent 6890 GC oven with Agilent 5973 MS
CH:CHROMATOGRAPHY_SUMMARY        	Treatment and Instrumental Conditions for 1H NMR Metabolomic Analysis  For
CH:CHROMATOGRAPHY_SUMMARY        	magnetic resonance (NMR) imaging, plasma (60 ?L) was diluted 140 ?L with 0.2M
CH:CHROMATOGRAPHY_SUMMARY        	buffer (pH 7.4):D2O containing a mixture of 16 mM formate and 4 mM TSP (1:1,
CH:CHROMATOGRAPHY_SUMMARY        	After filtering (0.22 ?m), the samples were transferred into a 3-mm-diameter
CH:CHROMATOGRAPHY_SUMMARY        	tube. High-resolution 1H NMR spectra were acquired at 600 MHz on a Bruker
CH:CHROMATOGRAPHY_SUMMARY        	III 600 spectrometer. Spectra peaks were identified according to Chenomx NMR
CH:CHROMATOGRAPHY_SUMMARY        	6.1 software and data in the literature 35, 36.
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 6890 GC
CH:COLUMN_NAME                   	-
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Mayo Clinic Metabolomics Core
#MS
MS:INSTRUMENT_NAME               	Agilent 5973
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	GC-MS
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak area
MS_METABOLITE_DATA_START
Samples	3M_2	3M_20	3M_23	3M_26	3M_28	3M_30	3M_34	3M_6	3M_7	3M_9	3M_10	3M_14	3M_17	3M_24	3M_27	3M_33	3M_4	3M_5	3M_8	11_1	12_1	13_1	15_1	16_1	18_1	19_1	21_1	22_1	29_1	2_1	23_1	25_1	26_1	28_1	30_1	3_1	34_1	6_1	7_1	9_1	20_1	32_1	10_1	1_1	14_1	17_1	24_1	27_1	33_1	4_1	5_1	8_1	8_1A
Factors	Group:3M | State:Res	Group:3M | State:Res	Group:3M | State:Res	Group:3M | State:Res	Group:3M | State:Res	Group:3M | State:Res	Group:3M | State:Res	Group:3M | State:Res	Group:3M | State:Res	Group:3M | State:Res	Group:3M | State:Unres	Group:3M | State:Unres	Group:3M | State:Unres	Group:3M | State:Unres	Group:3M | State:Unres	Group:3M | State:Unres	Group:3M | State:Unres	Group:3M | State:Unres	Group:3M | State:Unres	Group:Control | State:Control	Group:Control | State:Control	Group:Control | State:Control	Group:Control | State:Control	Group:Control | State:Control	Group:Control | State:Control	Group:Control | State:Control	Group:Control | State:Control	Group:Control | State:Control	Group:Control | State:Control	Group:HF | State:Res	Group:HF | State:Res	Group:HF | State:Res	Group:HF | State:Res	Group:HF | State:Res	Group:HF | State:Res	Group:HF | State:Res	Group:HF | State:Res	Group:HF | State:Res	Group:HF | State:Res	Group:HF | State:Res	Group:HF | State:uc	Group:HF | State:uc	Group:HF | State:Unres	Group:HF | State:Unres	Group:HF | State:Unres	Group:HF | State:Unres	Group:HF | State:Unres	Group:HF | State:Unres	Group:HF | State:Unres	Group:HF | State:Unres	Group:HF | State:Unres	Group:HF | State:Unres	Group:HF | State:Unres
2-HB (2-hydroxybutyric acid)	0.3766	0.5248	0.4917	0.3380	0.5304	0.3847	0.2351	0.4828	1.9819	2.1263	0.6662	0.3271	0.2094	0.6143	0.2937	0.4733	0.3986	0.4174	0.4664	1.3473	4.3238	1.0380	2.1264	0.3890	0.6249	1.3016	0.8563	1.0852	1.2712	0.9965	0.6015	1.2090	0.8416	2.9405	1.1482	1.2937	1.5876	1.1172	1.0244	1.2320	0.9391	0.2692	0.7743	0.9992	0.8224	1.1560	1.1581	0.8696	0.8827	1.0049	0.7959	1.7203	1.9136
2-hydroxypyridine	0.7190	1.1716	1.0718	1.2630	1.2288	2.4652	1.6602	1.0393	1.2006	0.9472	0.8550	1.0150	0.7939	1.5166	1.5677	2.1665	0.7777	0.9877	0.9884	0.6046	0.3361	0.8921	0.6067	1.3441	0.7394	0.6493	1.3447	0.8134	0.9194	1.0016	1.1908	0.2197	0.4290	0.6425	0.8507	0.4554	0.7021	0.7554	0.4965	0.8166	1.0392	1.0686	0.5121	0.7768	1.2072	0.9558	1.5494	0.8529	1.7241	0.6194	1.1924	1.1817	1.0752
3-AIB (a-amino[1-(14)C]isobutyric acid)	1.4075	0.4856	0.6095	1.5564	1.2780	1.4054	0.4379	0.7342	1.7727	1.6023	2.5394	0.9647	0.7443	0.8738	1.3842	1.2538	1.3107	1.5651	1.9159	0.3392	1.5518	0.9825	1.1494	0.8827	0.6962	1.1169	0.3179	0.4473	0.3661	0.4166	0.3553	0.5767	0.4247	1.0360	0.9144	1.1068	1.1609	0.5583	0.6242	1.3882	0.4278	0.6885	1.7649	0.6789	0.8538	1.3679	1.1672	1.1139	1.1485	1.5097	1.1241	0.4223	0.4790
3-HB (3-hydroxybutyric acid)	1.1499	0.5836	0.6087	1.4039	1.1441	1.2484	0.6594	0.9124	1.6621	1.4655	2.3938	0.8728	0.7198	0.8805	1.2656	1.0761	1.1477	1.3467	1.6905	0.5479	1.3454	0.8977	1.1421	0.9093	0.7306	1.1372	0.4517	0.6879	0.6738	0.6675	0.5492	0.7331	0.6643	1.0847	0.9610	1.0051	1.1681	0.5915	0.7876	1.2749	0.6313	0.7178	1.6998	0.6343	0.8291	1.2935	1.0230	1.0511	1.0541	1.4056	1.1647	0.6659	0.5875
Acetate	1.9563	0.4411	0.2794	2.1482	1.6576	1.8673	0.2817	0.5428	1.9509	1.6945	2.9076	0.4451	0.6186	0.3900	1.7503	1.8677	1.6966	2.3235	2.2607	0.1532	1.4426	1.3412	1.5850	0.3944	0.3559	0.4474	0.1956	0.9591	0.2670	0.4747	0.2968	0.5582	0.3694	0.5064	1.4149	0.4506	1.5110	0.5044	0.5056	0.4764	1.3682	0.1722	2.3560	0.2017	0.3443	0.7587	1.3599	1.5737	0.4662	1.9040	0.4928	0.3149	0.3978
Acetoacetate	1.6393	0.5711	0.3178	1.8255	1.3536	1.4262	0.5277	0.8010	1.6949	1.3185	2.2888	0.4472	0.5524	0.8587	1.3361	1.4649	1.3653	1.8124	1.8126	0.2314	1.3225	1.0025	1.3633	0.9308	0.5153	0.4531	0.5023	1.0154	0.6320	1.0134	0.6472	0.8671	0.6425	1.0039	1.5595	0.7405	1.3961	0.8289	0.9295	0.4044	1.4201	0.2776	2.1087	0.3080	0.3586	0.7365	1.2339	1.3467	0.4978	1.6211	0.5029	0.5410	0.6318
Acetone	1.1866	0.5184	0.4538	1.6081	1.3804	1.2966	0.4348	0.8365	2.1310	1.2258	2.0608	0.7253	0.4383	1.3976	0.9638	1.1806	1.0930	1.0880	1.8374	0.2387	2.6841	0.6085	0.9903	0.7704	0.2886	0.4913	1.0043	0.4862	0.4282	0.5578	1.0630	0.6078	0.5948	0.9519	1.2850	1.4116	0.8647	0.5548	0.8521	0.5949	1.1152	0.2480	2.1724	0.8976	0.5288	0.8919	1.9185	0.9613	0.6424	1.1468	0.6442	1.2042	1.4426
Acetylsalicylic acid	7.9157	0.3946	0.0563	0.0563	0.0563	1.4313	1.9134	0.5581	0.0563	0.0563	2.9238	3.3865	0.0563	0.0563	2.0631	0.0563	0.3586	0.0563	0.4297	0.0563	0.0563	0.0563	0.0563	0.0563	0.0563	0.0563	0.0563	0.0563	0.7502	2.6737	0.0563	1.4037	0.0563	0.8862	0.0563	0.4688	0.6254	0.0563	10.2738	0.0563	0.0563	0.0563	0.3707	0.0563	1.5006	0.0563	0.0563	8.7164	0.0563	0.1470	0.0563	1.0659	1.0548
Alanine	1.6791	0.3373	0.6374	1.9654	1.4901	1.7309	0.2660	0.3733	1.7514	1.6697	2.7113	0.8329	0.3559	1.0106	1.4326	1.5630	1.4001	1.8175	1.9996	0.2021	1.4119	1.3177	1.5168	1.5217	0.7734	0.7348	0.5651	0.8620	0.2672	0.3200	0.4589	0.2098	0.2700	0.7188	1.3340	0.9853	1.2298	0.2788	0.4079	0.7280	1.2092	0.5452	2.1567	0.6237	0.6312	0.8254	1.2500	1.3924	0.7626	1.5705	0.2426	0.1740	0.4784
Allo-inositol	2.8699	0.6397	1.0588	0.5691	1.0544	2.1045	0.5842	0.9738	0.7471	1.0487	1.0823	1.1200	3.8480	0.7202	0.7409	0.6634	2.6340	1.3300	0.7228	0.1765	0.9847	0.2251	0.2307	0.4131	0.7462	0.6850	0.2879	0.6577	0.7399	2.4510	0.3752	0.8336	0.3628	0.4490	1.2002	0.1952	0.7240	0.6295	0.2630	1.1588	0.5933	0.4848	0.3534	1.2049	1.1390	2.4804	0.3164	0.2203	0.7542	3.7803	2.4582	0.4538	0.4600
Arabitol	2.1645	0.6355	0.8831	0.6685	0.7230	1.7177	0.3116	0.7334	0.5414	0.8016	1.4279	1.7013	4.6295	0.3861	0.5460	0.6502	3.2225	1.8213	0.7136	0.6103	0.3671	0.6404	0.0607	0.2240	1.0880	0.4518	0.1876	0.7391	0.9270	3.4015	1.0263	1.2001	0.3983	0.6794	0.9883	0.3538	0.3984	0.9206	0.5618	0.5618	0.2284	0.4351	0.9341	1.0536	0.7997	1.8379	0.4789	0.3996	0.6490	3.1009	2.0259	0.4237	0.5682
Benzoic acid	0.0723	0.3824	0.7236	0.6049	0.7401	0.6249	0.9155	0.5734	0.8493	1.0517	0.3711	0.7868	0.0723	0.2500	0.7217	0.2831	0.0723	0.0723	0.5960	0.5235	0.3669	1.1958	0.6271	1.8138	2.5097	5.2777	0.5908	1.2986	0.7096	0.0723	2.7820	1.2902	0.8593	1.7506	1.0975	0.4589	0.4151	0.6821	0.7631	1.1723	0.0723	0.7748	1.3887	0.1682	1.0964	0.5413	1.0306	1.1560	0.7201	0.0723	8.3276	0.7992	0.8315
Beta- alanine	1.3355	0.9723	1.6175	1.7313	1.2039	2.0666	1.0164	1.0173	0.2962	1.5175	0.9605	1.3696	1.2830	0.4401	1.4681	0.6448	1.0151	0.7523	0.8518	1.6547	0.5513	1.5143	0.9154	0.9537	1.1840	0.5222	0.9059	0.4573	0.8029	0.3721	1.8453	0.4391	0.6408	0.7251	0.7172	1.1356	0.5328	0.7118	0.5595	0.7918	1.2711	1.2110	0.8443	0.7668	1.4055	0.9702	0.9527	0.6680	1.2109	0.7289	1.4265	1.1435	0.9083
Cholesterol	0.8131	0.8360	1.4538	1.0045	1.2966	0.8862	0.5743	0.9590	0.9870	1.7598	0.8752	1.4124	0.6484	1.0680	1.3453	0.7723	1.3169	0.7660	1.1356	1.2996	1.4832	1.4936	0.7766	1.9901	0.7771	1.0591	0.8875	1.1723	0.5720	0.6836	1.0952	0.6949	0.9946	0.9935	0.8382	1.1062	0.5687	0.7612	0.9509	1.2088	0.6617	1.1017	0.9478	0.5633	1.5684	0.6196	1.0972	1.2122	0.7391	0.8822	0.6423	0.8239	0.8232
Citrate	1.9075	0.5469	0.4043	1.9641	1.4019	1.8349	0.3130	1.1742	1.7993	1.3684	2.8028	0.8119	1.4834	0.3806	1.5207	1.5399	1.5158	2.3296	2.2747	0.1129	1.1430	0.9526	1.0716	0.0155	0.8250	0.8511	0.2822	0.2755	0.3331	0.6865	0.0155	0.7664	0.6368	0.8283	0.9063	0.4637	1.3637	0.8200	0.7106	1.3650	0.4989	0.0155	1.8034	0.1968	0.2586	1.6840	0.9597	1.0264	1.0338	1.5886	1.2550	0.4174	0.4628
Creatine	1.6491	0.8082	0.5693	1.5076	1.1146	1.2886	0.7890	1.2045	1.3412	1.2957	2.0558	0.7411	1.0732	0.8719	1.0384	1.3236	1.3569	1.8494	1.6279	0.3663	1.0048	0.8746	1.0654	0.9539	0.7389	0.6236	0.5521	0.7252	0.6432	0.9171	0.7523	0.9376	0.8474	0.7539	0.9491	0.7571	1.1050	1.0794	0.9348	0.6841	1.3206	0.4078	1.6109	0.5897	0.5953	1.1316	0.8636	1.0453	0.8951	1.4659	0.9671	0.6016	0.7338
Creatinine	1.6439	0.7512	0.4320	1.6755	1.2650	1.5069	0.6586	1.2050	1.5942	1.3121	2.4017	0.6167	0.8397	0.7849	1.1533	1.5307	1.4335	2.0574	1.9026	0.2001	0.9774	0.8724	1.0820	0.7835	0.7091	0.5806	0.4855	0.6696	0.5378	0.7762	0.5533	0.8356	0.7856	0.7742	1.0184	0.7294	1.2831	1.0062	0.9235	0.7214	1.4571	0.2123	1.7516	0.3793	0.4012	1.0625	0.9151	1.1935	1.0185	1.4963	0.8388	0.5535	0.6505
Creatinine g	2.0583	0.5604	0.9699	0.7701	0.5757	0.6539	0.7301	0.6523	0.4459	1.7433	0.9300	1.1758	2.4685	0.8634	0.7314	0.1484	2.2421	1.8819	0.5799	0.6194	1.1592	0.9922	0.6675	0.4147	0.6484	0.1484	0.1484	0.4601	0.5412	3.5191	1.4891	1.7289	0.7173	0.9272	0.1484	1.3993	0.5001	0.6143	0.8511	0.3944	1.0364	0.4970	1.8403	1.4621	1.0078	2.5799	0.5892	0.5937	0.4826	2.3651	1.5503	0.5771	0.1484
Cysteine	1.5021	0.9242	0.9816	1.2223	1.5239	0.9478	0.3603	0.9610	0.7400	1.1272	0.8272	1.3893	1.2049	0.8328	1.4862	0.6192	1.3942	1.0972	1.2201	2.2945	0.6684	1.8830	0.8896	1.6649	1.4518	0.6330	0.7226	1.6361	0.7663	0.4384	0.4814	1.2503	0.6046	0.8903	1.4788	0.7239	0.7616	0.3383	0.3220	0.6864	0.9701	0.4542	1.3152	0.5472	0.9928	0.9084	0.4382	0.6197	0.4820	1.4191	1.2754	1.6586	0.9714
Fumaric acid	1.8194	0.9211	1.0535	0.4130	0.7664	0.6588	0.9730	0.7058	0.8957	1.5145	1.2229	1.1352	3.4559	0.8227	0.6764	1.0230	1.8227	2.2622	0.6495	0.7443	0.4767	0.8038	0.2447	0.2483	1.3466	0.4216	0.5986	0.1115	0.9847	2.3376	1.1399	0.7843	0.2701	0.8739	1.0238	0.3896	0.5402	0.6897	0.4114	1.1209	0.3357	0.4905	0.9807	0.7328	1.0467	1.6566	0.5694	0.4642	0.6712	4.2482	2.2423	0.6440	0.5636
Galactinol	4.7718	0.6282	0.6149	0.1973	1.0889	7.6186	4.4077	0.9475	3.2182	0.4577	0.6462	0.9238	0.5954	1.3176	0.9128	0.9354	1.0331	1.6857	4.7418	1.3305	0.9430	0.4429	0.0745	0.7846	0.1622	0.2403	0.3135	0.3321	0.4891	0.6227	0.3915	0.1671	0.3850	0.2326	0.3106	1.6799	0.4894	0.4798	0.4899	0.1042	0.3803	0.7989	0.1747	0.1503	0.2687	0.2112	1.1783	0.7396	0.8823	0.5688	0.1698	0.1351	0.1341
Galacturonic acid	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	0.1822	1.3689	0.1822	1.4083	1.0118	0.1822	0.1822	0.3643	5.8777	0.1822	2.0100	1.4089	2.6217	3.1553	1.4198	0.1822	0.1822	0.1822	0.1822	0.8118	0.1822	0.1822	3.2658	0.1822	5.2975	0.1822	1.5508	0.1822	7.6533	7.0343	0.1822	0.1822
Gluconic acid	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.7253	2.0219	1.0046	0.2074	0.2074	2.6183	2.9679	0.2074	2.0601	2.8911	0.2074	4.5545	0.4147	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	0.2074	2.5417	0.2074	3.2800	0.2074	0.2074	0.2074	6.2837	5.9095	5.8453	2.0018
Glucose_A	0.6783	0.8600	0.7466	1.0853	0.8823	1.4927	0.8154	1.1792	1.2015	1.6909	3.1795	0.6720	0.9138	0.8666	0.9038	0.8648	0.6865	1.1668	1.2377	0.7670	1.8852	0.9019	0.9764	1.2524	0.8721	0.7542	0.6612	0.8320	0.7556	0.6061	0.8506	1.0062	0.9473	0.9088	1.1321	0.9188	0.8212	0.5340	1.1253	1.0100	1.0681	0.8127	1.4027	1.1684	0.8521	0.9544	0.7814	0.5070	0.7969	0.9977	0.9818	0.8214	1.2129
Glucose_beta	0.8207	1.2694	0.5227	1.2942	0.6116	1.4715	0.9641	1.3246	0.0298	1.6184	3.1169	0.4063	2.0464	0.7224	0.6391	1.0585	0.4518	1.3952	0.7853	1.2783	2.3680	1.2346	0.5513	0.9632	0.5867	0.9303	0.3791	0.6101	0.6868	0.4121	1.0196	1.3014	0.8948	0.9373	0.7070	1.0214	0.4236	0.3959	1.5028	2.3731	0.9085	0.4938	0.8971	0.9864	1.4019	1.3733	0.6349	0.7655	0.8143	0.5871	0.9880	0.4997	1.5234
Glutamic acid	0.0604	0.3873	1.0680	0.3343	1.1079	0.5296	0.2759	0.4068	1.1353	0.7805	0.3706	0.3523	0.4030	0.9002	0.4455	0.6770	0.0604	1.6416	0.7340	0.6857	0.7129	0.6427	0.1219	0.1502	0.4934	0.1949	0.4779	0.2190	0.6417	2.4437	0.7621	2.5022	2.4258	1.7543	1.9437	1.9821	1.5142	0.5522	2.2325	1.0004	0.9763	0.4441	1.2905	1.4190	1.4579	0.9166	1.1607	2.0240	0.9321	0.7399	2.6244	2.1316	1.7588
Glutamic acid  (dehydrated)	1.1062	0.9990	0.7891	0.7707	1.4059	1.3728	0.9478	1.0249	0.7870	0.9518	0.7909	0.9689	1.0837	0.8992	1.5492	1.1983	1.0169	0.9246	0.6315	1.3808	1.1520	1.3143	0.7844	1.0548	0.9340	1.0017	1.1281	1.4282	0.8290	0.8501	0.7375	1.0421	0.8975	0.6032	0.9342	0.9887	1.0832	1.0790	1.0066	0.7990	1.0086	0.7830	0.7769	1.1005	0.9775	0.8625	0.7721	0.9427	0.7275	0.9231	1.4351	1.2293	1.2142
Glutamine	1.8064	0.5976	0.3301	1.9407	1.4915	1.6602	0.5209	0.8310	1.6888	1.4445	2.5087	0.4548	0.5064	0.6945	1.5446	1.6572	1.5206	2.0249	2.0142	0.2912	1.2320	1.2276	1.5739	1.1023	0.5541	0.4534	0.4485	1.0469	0.4123	0.5601	0.5791	0.5437	0.5719	0.5127	1.4570	0.6358	1.3327	0.6544	0.7510	0.2754	1.5584	0.2627	2.2697	0.3105	0.2790	0.6003	1.2220	1.5487	0.4078	1.7103	0.3527	0.4685	0.5560
Glyceric acid	1.2961	1.4651	0.5065	0.7711	0.8790	1.4459	1.4577	2.0993	1.4141	0.6606	0.5204	0.7251	1.1093	0.2861	0.7402	1.6401	1.1967	0.5074	0.3028	1.3210	0.3539	0.4834	0.7877	0.5987	0.7517	0.3511	0.3481	0.8322	0.3938	4.7094	1.2660	1.0805	1.1667	0.7884	1.3148	1.4276	1.8478	1.5023	1.2584	0.7487	1.9440	0.1154	0.5960	1.7006	0.4818	1.1315	0.4493	1.3452	0.5653	1.0108	1.2264	0.0260	0.0521
Glycerol	0.0829	0.5110	0.9002	0.3566	0.7526	1.7972	0.4810	0.8104	0.2205	0.6960	0.1517	0.4471	0.3370	0.3488	1.3084	0.8325	0.8139	0.7034	0.4904	2.8588	1.0105	1.5446	0.4222	4.2261	1.1399	2.9978	0.6975	3.2077	1.1111	0.9171	0.3751	0.7492	0.6637	1.3241	1.4876	0.6455	0.8362	1.0289	0.5550	0.7005	0.8857	0.3707	0.5973	0.5087	0.4535	0.9639	1.0555	3.7707	1.2500	0.8514	0.4892	0.5420	0.7207
Glycerol -1-P	0.9789	0.9974	1.9398	1.3095	1.5533	1.1439	0.8742	0.8308	1.1992	2.2529	1.6109	2.0723	0.7378	1.2187	1.5590	0.8958	1.3960	0.1583	1.3220	1.4249	0.8920	0.8148	0.4807	3.5663	0.4634	0.4368	0.7637	0.8106	0.4051	0.6271	1.2508	0.6731	0.5268	0.8155	0.6088	0.7615	0.4613	0.5524	1.4791	0.8036	0.4699	0.9852	1.1401	0.6045	1.4520	0.8923	1.1260	0.5740	0.7576	0.7528	0.4342	0.1583	0.9841
Glycine	1.2364	1.0904	0.8847	0.6583	1.0232	1.7907	0.9131	0.8540	0.5285	0.8454	0.9594	1.0553	0.9053	0.7804	1.3292	0.9369	0.8632	2.9040	0.8101	0.6987	0.9991	3.0538	0.5722	1.6431	1.2355	1.3117	0.9061	0.9817	1.4790	1.0741	0.7887	0.6265	0.5515	0.6101	1.3239	0.8794	0.9031	0.4684	0.5579	1.0091	0.8882	0.6154	0.8637	1.1895	0.9083	0.6564	0.6137	1.2384	0.6314	0.6529	1.2432	0.6995	0.7575
Glycolic acid	0.9225	1.2295	1.2257	0.9129	1.1765	1.3054	1.6320	1.2351	1.5038	0.9565	1.0446	0.7927	1.1639	1.2331	0.9175	1.7932	0.2673	1.5853	0.8413	1.0657	1.2133	1.0279	0.6359	0.6862	0.8986	1.0067	0.6137	1.1401	0.6457	1.0558	0.8604	0.8071	0.6562	0.5484	0.6698	1.4146	0.7235	0.9633	0.8048	1.5366	0.9113	0.3319	0.7826	1.3501	0.8444	0.7135	0.7477	0.8171	0.6800	0.8768	1.2113	1.3610	1.6593
Heptadecanoic acid	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	0.3544	2.2444	8.6085	1.5450	2.6620	0.3544	0.3544	1.1709	2.6842	0.3544	2.3608	1.0103	2.9535	1.6416	0.3544	0.3544	0.3544	0.3544	0.3544	2.5454	0.3544	0.3544	1.7071	0.3544	2.1599	0.3544	0.7557	0.3544	2.4146	1.5227	1.9005	0.7088
Iminodiacetic acid	0.8520	0.9034	1.0655	0.8128	1.1046	0.7708	0.9930	0.9210	1.0234	1.4681	0.9675	1.0439	1.1448	0.9168	1.4953	0.9875	0.8830	1.3813	0.8048	1.1242	0.8073	1.1921	0.7593	1.0403	0.9473	0.7700	0.8470	0.8701	1.0762	1.1984	0.8392	0.9559	1.0971	1.0385	0.9841	1.0819	1.3829	0.4201	0.9254	1.1869	1.1778	0.6895	1.0884	0.7469	1.0776	0.7929	0.7074	1.4133	0.9074	0.9858	1.1300	1.1762	1.0232
Isoleucine	1.3509	0.8433	0.6355	1.4711	1.1730	1.2929	0.7840	1.0137	1.4228	1.3101	1.9738	0.8946	0.8325	1.0819	1.2216	1.2043	1.1232	1.4123	1.5877	0.5870	1.1203	0.8854	1.1315	1.4554	0.7708	0.9524	0.5733	0.6925	0.5676	0.5747	0.7676	0.7635	0.6969	0.8740	1.0219	1.0532	0.9832	0.7614	0.8427	0.9751	0.9082	0.7463	1.6424	0.7288	0.8618	1.0691	1.0157	1.0772	0.9247	1.2920	0.8541	0.5772	0.6231
Isopropyl beta--thiogalactopyranoside	0.4321	0.8850	0.7766	0.6742	0.7383	1.2192	0.3857	0.7973	0.8222	2.8080	4.3321	0.6928	0.9988	0.6251	0.7454	0.7374	0.9589	1.1158	0.7825	0.5984	5.1951	0.6336	0.5201	0.7042	0.7597	0.5346	0.4534	1.0107	0.6119	0.6674	0.7322	0.9256	0.8189	0.9209	1.7724	0.7716	0.7395	0.8567	0.6127	0.7738	0.7338	0.7997	1.1457	1.8461	1.2994	0.8298	0.5247	0.8700	0.6920	0.8403	0.5818	0.8379	0.8581
Lactate	1.0074	0.4764	0.7291	1.4187	1.2448	1.2171	0.4920	0.9521	1.8328	1.4511	1.8947	0.8567	0.4414	1.6531	0.7993	0.9028	0.9393	0.8892	1.5199	0.5091	3.0532	0.6846	1.0457	1.4730	0.6564	0.6870	1.1599	0.5661	0.4353	0.4630	1.2025	0.4854	0.5955	0.8519	1.1802	1.4887	0.7522	0.3288	0.7089	0.7026	1.0438	0.5708	1.9330	1.0049	0.8347	0.6596	1.8343	0.9386	0.6921	1.0374	0.4573	0.9375	1.3081
Leucine	1.3266	0.7744	0.6335	1.4704	1.1698	1.2637	0.7385	0.9640	1.5460	1.3381	2.0855	0.8748	0.7493	1.1055	1.1858	1.2196	1.1158	1.4243	1.5884	0.5388	1.1875	0.8730	1.1867	1.4197	0.7630	0.9372	0.6045	0.6690	0.5492	0.5218	0.7654	0.7419	0.6476	0.8946	1.0373	1.1369	1.0067	0.7546	0.8261	0.9709	0.8826	0.7287	1.7066	0.7490	0.8557	1.0558	1.0596	1.0766	0.9497	1.2967	0.8343	0.5605	0.6376
Linoleic acid	0.2632	0.7446	0.4720	0.2988	0.4554	1.6923	0.3720	0.9752	0.5430	1.1139	0.4700	0.3943	0.2237	0.5444	0.6461	0.7663	0.9114	0.5258	0.4752	4.5367	0.9230	0.6078	0.6105	4.7184	0.8310	2.2739	0.7395	2.4414	0.8357	0.9538	0.5562	1.2738	0.7228	1.0350	2.3629	0.7732	0.6483	1.2430	0.8321	0.7143	1.0289	0.4192	0.8447	0.8125	0.6208	1.0881	1.2392	1.3143	0.8387	1.0201	0.5570	0.9155	0.7799
Lysine	2.3045	1.6761	1.2135	1.4088	1.0513	0.5552	0.4950	0.1324	2.3720	1.4294	0.1324	1.5937	0.6701	1.5445	0.1324	0.9863	0.1324	1.3689	1.3293	0.8901	0.9295	1.3257	0.8434	0.4465	1.1635	0.9059	0.9311	0.9406	0.9333	0.6355	1.3939	0.9665	0.1324	0.9542	0.7882	1.0749	1.4495	0.2676	1.4381	1.6534	0.1324	0.3551	1.3236	0.9961	1.3706	0.4794	1.0795	0.8896	0.7235	0.7348	0.1324	2.2422	1.9482
Malic acid	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	0.3388	3.1729	2.5667	0.3388	0.3388	0.3388	5.5066	0.3388	2.3531	0.3388	3.8166	1.9801	0.3388	0.3388	0.3388	0.3388	0.3388	3.9197	0.3388	0.3388	3.1872	0.3388	4.6749	0.3388	0.3388	0.3388	0.3388	4.6014	1.7226	1.6070
Malonate	1.1706	0.5331	0.5625	1.1483	0.8967	4.2198	0.6566	4.0668	1.1096	0.8968	1.8808	0.5169	0.5150	0.6831	0.7373	0.9363	0.9359	1.2323	1.1890	0.3690	0.5850	0.6027	0.9042	0.8837	0.8033	0.5474	0.5029	0.7294	0.5749	0.7383	0.6881	0.7106	0.7235	0.5842	1.8243	0.7108	0.8195	0.8779	3.4985	0.5466	1.1591	0.5340	1.4192	1.3297	0.5976	0.6378	0.6596	0.7697	0.6739	1.2162	0.7142	0.5041	0.6725
Mannitol	3.6008	1.4870	0.2702	0.2709	0.6005	2.6506	0.5026	1.1734	0.1581	0.2224	0.3411	0.3430	2.1418	0.0134	6.1296	0.2331	0.0134	0.2052	0.5619	0.0749	1.2174	0.1034	0.0134	0.0134	5.8777	1.1710	1.1416	1.6241	0.0134	3.0857	2.3968	0.4678	5.0486	0.3406	0.2753	0.3435	0.7264	0.2476	0.4124	0.3008	0.0134	0.1187	3.4310	1.3392	0.1488	1.4908	0.0134	0.1265	0.0573	0.0134	0.0134	0.2093	0.2102
Melezitose	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	2.4313	2.4591	4.1960	0.0961	0.0961	5.0483	6.5515	0.0961	3.4420	1.7007	0.8345	1.4763	0.7279	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	0.0961	2.9438	0.0961	3.2714	0.0961	0.0961	0.0961	9.8561	3.9722	0.4367	0.0961
Methylamine	3.0544	0.0069	0.0069	3.3130	2.2924	1.6633	0.0069	0.0069	1.7794	1.7204	3.1918	0.0069	0.2226	0.0069	2.2286	2.6362	1.9074	3.0564	2.6478	0.0069	1.8657	1.8501	2.2867	0.0069	0.0069	0.0069	0.0069	0.0138	0.0069	0.0405	0.0069	0.0069	0.0069	0.0069	1.7534	0.0069	1.4973	0.0069	0.0069	0.9302	0.8052	0.0069	3.6304	0.0069	0.0069	1.5173	1.7596	2.1591	0.0069	2.7274	0.2769	0.0069	0.0069
Methylguanidine	1.8942	0.0771	0.0025	2.7256	1.6468	1.2485	0.2145	0.0025	1.4020	1.2704	2.3488	0.0025	0.0025	0.6436	1.1872	2.1565	1.3596	2.1716	1.8745	0.0025	1.2225	1.7522	2.4486	3.1217	0.6508	0.0025	0.3899	2.4122	0.1707	0.0025	1.3370	0.0025	0.1805	0.0025	2.1416	0.6743	1.0617	0.2168	0.5543	0.0025	4.0713	0.0025	2.9373	0.0025	0.0025	0.0025	1.4619	2.0671	0.0025	1.8626	0.0025	0.0025	0.0025
Myristic acid	0.0722	0.5704	0.5005	0.1847	0.5325	0.5764	0.3467	0.6971	0.5284	0.7893	0.3015	0.2588	0.1444	0.4402	0.6574	0.8935	0.6751	0.6735	0.3019	2.8697	0.8149	0.8456	0.4622	2.0349	1.4060	2.0505	0.9187	3.7525	1.4051	2.0408	0.6974	0.8574	0.6470	1.9408	1.1856	1.0767	1.6342	1.5047	0.9079	0.6277	1.0881	0.3718	1.5008	0.6661	0.6898	1.6735	1.0537	1.7618	0.9114	0.8577	1.1737	1.1314	1.2959
Nicotinic acid	0.0347	1.0648	0.8657	0.9489	0.0347	0.0347	2.0998	0.0347	0.0347	0.0347	0.0347	0.7233	0.7696	1.3987	0.7692	2.4137	0.0347	0.0347	0.0347	1.2195	1.7495	1.3579	1.2615	1.3920	1.2262	0.7280	1.2108	2.8168	1.1855	1.2945	2.0114	0.5226	0.4998	0.7067	0.9799	0.8382	0.0347	1.4710	1.1793	1.5245	2.4334	1.1759	0.6041	1.3590	1.2874	1.7742	1.5072	1.0183	0.0695	1.0852	1.9554	1.0455	1.0732
N-methylhistidine	5.0316	0.7113	0.4574	1.3798	1.1745	1.0144	0.8295	1.5679	4.4031	0.9846	6.4377	0.9428	0.6209	1.0016	0.8897	0.9578	1.3166	2.2412	2.2259	0.3597	0.5745	0.5159	0.7268	0.6027	0.4175	0.4550	0.3406	0.3341	0.3262	0.3287	0.5159	0.4621	0.5464	0.3499	0.3945	0.7193	0.6556	0.9461	0.6528	0.4506	0.5991	0.7229	1.0432	0.4186	0.7139	0.4576	0.6192	0.3118	0.8514	0.8091	0.5080	0.5022	0.5797
Norleucine	0.6615	1.2051	0.9471	1.1129	1.8970	0.3561	0.6144	0.6108	2.1603	0.7802	1.2816	0.8244	0.8639	2.7003	1.2897	1.1818	1.0248	1.0448	0.7842	1.2160	1.1084	0.6571	1.2753	0.3164	0.6861	0.9056	1.1521	0.9796	0.7001	0.5169	0.5571	1.1746	0.7937	1.9622	0.8055	2.1934	1.4361	0.4409	0.7848	1.1522	0.5735	0.5502	1.2759	0.7936	0.8133	0.5473	0.9103	0.5073	0.7307	0.9041	1.3924	0.8014	1.0447
Norvaline	0.1471	0.5503	0.6738	1.0526	0.8699	0.8183	0.5485	0.4898	2.4702	1.5586	1.0515	1.0175	0.7122	1.4920	0.6041	1.0257	0.7549	1.1494	1.1738	1.2446	1.8736	0.7806	1.0378	0.3641	0.8613	1.1069	1.1296	1.2573	0.9751	0.4142	0.7005	1.0975	0.7457	1.2235	0.9773	1.9012	1.0881	0.8884	0.8568	1.4103	0.4742	0.4607	0.8413	1.0208	1.0397	0.7299	1.2556	0.6503	1.1619	1.2325	1.0077	1.4708	1.5602
Oleic acid	0.1300	0.6703	0.6943	0.1298	0.5876	0.6233	0.2900	1.1189	0.4817	0.7212	0.2032	0.2326	0.1069	0.3612	0.6713	0.6861	1.2978	0.3955	0.2443	3.0335	1.2153	0.4504	0.7077	2.0094	0.7720	2.2598	0.5058	2.7099	1.3073	1.6373	0.9486	1.4167	1.0180	2.2261	1.4700	0.7204	1.2367	1.9805	1.2415	0.6168	1.2299	0.3190	1.0963	0.8580	0.6292	1.1740	1.3564	1.8241	0.8059	1.5820	0.7390	1.1533	1.1030
Ornithine	0.1127	1.8392	1.0850	1.0378	1.0138	1.2426	1.0620	0.6532	1.8654	1.1344	0.9741	0.9933	1.0181	1.3270	0.7943	1.0350	0.9780	1.2495	1.3548	1.2802	0.9364	1.4799	0.7557	0.5156	1.4692	0.4999	0.7551	1.0769	0.7189	1.1140	0.6158	1.3973	0.8676	0.9259	0.8723	1.0716	1.6999	0.6032	0.8954	1.1468	1.3841	0.1127	1.2877	0.8027	0.9846	0.6623	0.7551	0.7721	0.7211	1.0390	0.9855	1.1046	0.9206
Oxalic acid	0.0311	1.7969	1.3284	1.5849	1.7358	2.8092	2.4970	3.1851	2.1196	0.0311	0.0311	1.5145	1.3704	1.9163	2.4953	3.7326	0.0311	0.0311	0.0311	0.0311	0.0311	0.5714	0.5248	1.0121	0.5566	0.5814	1.1227	0.7251	0.8407	0.8550	1.4722	0.0311	0.5589	0.5433	0.8708	0.0311	0.5420	0.8736	0.3473	0.7400	0.8283	1.3101	0.0311	0.6224	1.0163	0.9487	1.5634	0.6249	1.4718	0.4781	1.2140	0.8832	0.8728
Palmitic acid	0.4788	0.8419	0.7151	0.4465	0.8874	0.8375	0.4684	1.0399	0.7325	1.1909	0.7663	0.5673	0.3989	0.6047	0.7911	0.7836	1.0287	0.7230	0.5620	2.3430	1.3135	0.7338	0.7727	2.2193	0.8373	1.5135	0.7346	1.7750	1.0619	1.2337	0.7515	1.0429	0.9688	1.8516	1.1500	0.9991	0.9475	1.3569	1.1901	0.8153	1.1188	0.5096	1.2732	1.0018	0.7572	1.1419	1.3421	1.4706	0.8358	1.1311	0.8238	1.0685	1.0489
Palmitoleic acid	0.0421	0.5876	0.0421	0.0421	0.7747	0.2868	0.0421	0.8672	0.3727	0.6672	0.0421	0.0421	0.0421	0.0421	1.0317	0.5025	1.1764	0.0421	0.0421	3.4840	1.2897	0.4417	0.4088	1.4308	0.9428	4.5583	0.3203	4.0541	1.1790	2.3729	1.3715	0.9616	1.3353	3.0869	1.4428	0.9139	0.7462	0.9074	1.5325	0.4771	0.9207	0.0421	1.1082	0.2431	0.5473	0.8527	1.7381	3.4947	0.5873	0.9804	0.5169	1.1101	0.9133
Phenylalanine	10.4594	0.6726	0.6341	1.0203	1.2218	1.0294	0.9702	1.5450	4.0419	2.1732	5.3745	0.5118	0.9223	0.6237	1.1606	0.8633	0.0234	0.0234	0.8305	0.8595	0.3001	0.5261	0.7890	0.7894	0.4543	0.3209	0.2140	1.1346	0.5317	0.7006	0.6146	0.7602	0.9470	0.4358	0.4035	0.7795	0.2907	0.5096	0.4791	0.8043	0.9464	0.5445	1.0208	0.0234	0.3282	0.4230	0.5173	0.1799	0.3421	0.7037	0.6955	0.4826	0.0468
Phosphoric acid	1.1951	1.0072	1.0999	0.7311	1.1966	1.0189	0.9673	0.9306	1.0602	1.2002	0.9643	1.3208	0.9945	1.2028	1.4460	0.9342	1.2572	0.8104	1.0597	1.3406	0.7602	0.9885	0.6828	1.3166	1.6014	0.7427	0.5654	1.0170	0.7971	0.9149	0.8945	0.8415	0.7197	0.8510	0.7979	1.1283	0.8659	0.8878	0.7260	1.3389	0.7450	1.1641	0.9892	0.8190	1.0874	0.7412	0.9542	1.0895	1.0996	1.0899	1.1406	0.9190	0.9856
Porphine	1.5714	2.0162	0.7168	0.9750	0.8453	1.2460	1.7118	1.7521	1.2708	1.1572	0.9543	0.8533	0.7508	1.1589	1.4343	1.9782	0.1041	2.7760	1.0487	0.6381	0.1041	0.8969	0.4605	1.1670	0.8962	0.6851	0.4652	0.8526	1.1692	0.6531	1.1925	0.3588	0.7644	0.4962	0.5889	0.5790	0.4896	0.8393	0.6853	0.6654	1.1377	0.8541	0.6503	1.6868	0.9157	0.6479	1.1752	1.0223	1.4445	0.7280	1.5471	1.0729	1.1487
Proline	1.7052	1.1401	1.2658	1.1666	1.0417	1.1176	0.8771	0.6694	0.8996	1.0180	2.1662	1.4888	1.6783	1.7622	1.4861	1.2955	0.7723	1.5739	0.8449	0.6400	1.2665	1.1809	0.4076	0.4388	0.8755	0.3059	1.0832	0.7991	0.5661	0.7313	0.4676	1.1603	0.8544	0.4284	0.9942	1.7327	1.2870	0.5592	0.7061	1.1166	1.1786	0.2553	1.2539	0.7278	0.8937	0.5998	0.7619	0.8409	0.6187	1.1238	1.8068	0.5607	0.8077
Pyrophosphate	0.0917	0.0917	0.0917	0.0917	0.0917	12.4790	3.0135	0.0917	0.0917	0.0917	0.0917	0.0917	0.0917	0.0917	0.0917	15.6833	0.0917	0.0917	0.0917	0.8598	0.0917	0.2866	0.0917	0.1933	0.3711	0.0917	0.7082	0.0917	0.3328	0.0917	6.0499	0.0917	0.0917	0.0917	0.2657	0.0917	0.0917	0.0917	0.0917	0.7219	0.5639	0.0917	0.0917	0.0917	1.3020	0.9039	0.6705	0.4544	0.0917	2.6528	0.6939	1.2832	0.5770
Pyruvic acid	0.0315	0.8750	1.9363	0.9342	0.2661	1.4261	0.0631	1.2121	0.8264	2.8087	1.3202	0.4432	1.1513	0.7386	0.0315	0.6579	0.7702	1.5698	0.8178	0.9975	3.8360	2.0927	0.1766	0.6391	1.0550	0.4024	1.1375	0.6404	0.5084	0.5131	1.6391	0.2867	0.9391	0.9998	0.6283	2.5765	0.2268	1.1006	1.6341	1.3174	0.3650	0.9833	1.4024	1.2393	1.6028	0.8872	0.6394	0.3006	0.9597	0.8141	0.4825	0.9755	1.1215
Serine	0.7439	1.6189	0.8057	0.2549	1.4400	0.8223	0.4205	0.9651	1.1748	1.1015	0.7805	0.7219	0.7059	1.0700	0.6214	0.5659	0.9661	1.1193	0.5664	1.3847	1.6310	1.6927	0.6848	2.2979	1.7549	1.5201	0.7885	1.1452	1.2743	0.8943	0.5327	1.5748	0.4471	0.9537	1.1312	2.0263	1.0741	0.7725	1.1798	1.0770	1.3107	0.3351	0.7613	1.0497	1.0052	0.9003	0.5357	0.8399	0.6682	0.9971	0.8583	0.7785	0.6578
Serotonin	0.1694	0.1694	1.6513	0.1694	1.6367	0.1694	1.1616	0.1694	0.1694	0.1694	0.1694	0.1694	0.1694	1.5927	1.6796	1.3377	0.1694	0.1694	0.1694	1.8505	1.9686	1.6461	2.7705	1.6213	1.3249	1.6115	1.1537	1.6746	0.5976	1.2767	1.2284	1.1106	0.1694	0.4892	0.6304	1.8531	0.1694	0.1694	1.7669	1.7308	1.6589	0.1694	1.5105	1.2346	1.9316	1.1217	1.6043	0.6976	0.1694	1.1523	1.4397	1.1783	1.0562
Stearic acid	0.7289	0.8848	1.1133	0.5990	0.9369	1.0710	0.7259	1.0069	0.7780	1.0078	0.6542	0.6655	0.4738	0.8295	1.1288	0.8176	0.8293	0.7266	0.6060	1.7834	1.1473	0.8459	0.8334	1.9261	1.0977	1.0108	0.8033	1.1134	0.9273	1.1513	0.7223	1.1346	0.8333	1.3206	1.0277	1.0550	1.1829	1.1614	1.2843	0.8727	1.1674	0.7610	1.2030	1.1063	0.9237	1.1807	1.1922	1.3856	0.8173	1.2793	0.9966	1.0987	1.0699
Succinate	2.3413	0.2837	0.0952	2.1976	1.6243	1.8156	0.1231	0.6435	1.8352	1.5739	2.9412	0.2215	0.4300	0.3483	1.6218	1.9163	1.7469	2.4963	2.2883	0.0132	1.1704	1.2510	3.5640	0.4501	0.3838	0.3885	0.0786	1.3549	0.3075	0.4684	0.1169	0.4234	0.1971	0.4471	1.5370	0.2828	1.5171	0.7161	0.5984	0.0793	1.3000	0.0132	2.4468	0.2626	0.0132	0.7800	1.1712	1.6252	0.1657	1.8463	0.4135	0.6008	0.4714
Sucrose	0.1993	0.4870	19.2371	0.2090	0.5065	0.2890	0.3292	0.1240	0.0645	0.0071	3.0035	0.2211	4.3389	0.0071	0.1601	0.0909	9.0549	0.1787	0.0579	0.0698	0.2355	0.0071	0.0071	0.0769	0.1746	0.0071	0.0071	0.0071	0.0071	1.8656	0.4328	0.0071	0.0071	0.0071	0.0071	0.0071	0.0071	0.1884	0.0231	0.0071	0.2070	0.3244	0.0071	0.0071	0.0071	0.4719	0.0071	0.0071	0.0071	9.3080	0.9070	0.0071	0.0071
Tagatose	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	0.1397	1.0104	0.1397	0.6943	0.7865	0.1397	0.1397	1.2764	2.9226	0.1397	4.2844	1.1636	1.3141	2.7904	0.5520	0.1397	0.1397	0.1397	0.1397	15.6897	0.1397	0.1397	3.8134	0.1397	2.5659	0.1397	0.4024	0.1397	0.6118	1.4216	2.7553	4.0571
Threitol	2.2222	0.6299	0.6450	0.7333	0.7286	2.6267	0.5314	1.0984	0.6009	0.7895	0.8571	1.2191	3.8148	0.5598	0.4447	0.5366	1.9124	1.5399	0.7525	0.3796	0.5142	0.4873	0.3620	0.2918	1.1101	0.4571	0.2903	0.3519	0.5635	3.3444	0.9383	1.1795	0.7396	0.9215	1.2796	0.6096	0.4304	1.1210	0.4351	0.7614	0.4869	0.4782	0.8454	0.8519	0.8895	2.0749	0.6798	1.6576	0.3348	2.2464	1.7105	1.0130	0.9201
Threonine	0.7987	1.8013	0.7677	0.6044	1.1532	0.6425	0.8470	0.5440	1.4703	1.1277	1.0619	0.6963	0.8925	1.4004	0.6944	0.5635	1.1543	1.3968	1.0384	1.2225	1.6764	1.8549	0.7135	1.9855	2.1520	0.9375	1.0601	1.5600	0.7875	0.7931	0.4823	0.8364	0.5414	0.4912	0.7013	1.7818	1.5153	0.4704	0.7989	1.0966	1.2224	0.2603	0.5778	0.7319	0.7726	0.5528	0.8450	0.6680	0.5290	1.1182	1.3098	1.2477	1.0504
Tryptophan	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	0.2717	2.0979	1.9259	1.5029	1.0160	0.2717	0.2717	0.7186	2.2298	0.2717	2.5587	0.9169	2.4935	1.3322	4.4253	0.2717	0.2717	0.2717	0.2717	2.0685	0.2717	0.2717	2.0398	0.2717	2.1039	0.2717	3.7600	0.2717	2.6023	3.8108	4.0148	2.1460
Tyrosine	5.0127	0.6084	0.6821	1.0069	1.4127	0.9602	0.6932	1.0984	4.7475	0.5722	6.7879	1.0030	0.6277	0.8360	1.0584	0.9233	1.9353	3.1174	3.0664	0.4133	0.6064	0.4351	0.6015	0.5800	0.5224	0.5246	0.4250	0.5592	0.2230	0.2543	0.3900	0.3058	0.4660	0.6813	0.5304	0.5483	0.4772	0.8135	0.6304	0.5952	0.5095	0.6190	0.6963	0.5167	0.4541	0.4140	0.3854	0.4661	0.5896	0.5268	0.3577	0.2992	0.4328
Urea	1.9774	1.0258	0.9889	0.8517	0.6518	0.6208	0.6757	0.7367	0.8613	1.2831	1.0304	1.3880	2.0673	0.7764	0.6155	0.8978	2.1977	1.8771	0.6110	0.8537	1.0878	0.8365	0.4310	0.3319	1.0890	0.5436	0.5969	0.5542	0.8693	2.1500	1.1606	1.4502	0.8902	0.8673	0.9551	0.7386	0.8418	1.1235	0.6795	1.0728	0.5156	0.6944	0.9999	0.8430	1.1114	1.2370	0.6501	0.5162	0.6363	2.1158	1.8034	0.7410	0.8781
Uric acid	2.0682	0.4734	1.2609	0.4569	0.9362	1.7984	0.4135	1.1774	0.6347	0.7460	0.9328	0.7744	3.8107	0.8085	0.5898	0.6182	1.8388	1.1334	0.5375	0.2325	0.7569	0.2048	0.5669	0.1895	0.4972	0.3636	0.7367	0.5546	0.5761	2.6392	1.1114	1.4228	0.7571	1.1181	0.7669	1.2082	0.5837	1.2852	0.5981	1.0207	0.3658	0.3409	1.2338	0.6865	0.9729	1.7658	1.1731	0.5094	0.6486	2.4157	2.4245	1.2379	1.0252
Valine	1.3366	0.7202	0.6521	1.5480	1.2031	1.3070	0.6853	0.8984	1.5641	1.3343	2.1697	0.8955	0.7362	1.0849	1.2220	1.2661	1.1722	1.5195	1.6631	0.4758	1.2142	0.9368	1.2540	1.4669	0.7902	0.9381	0.5279	0.6339	0.4891	0.4486	0.6745	0.6885	0.5555	0.9025	1.0694	1.0680	1.0821	0.7266	0.7953	1.0032	0.8315	0.7192	1.7458	0.7279	0.8363	1.0989	1.0672	1.1569	0.9415	1.3710	0.7892	0.4319	0.5630
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
2-HB (2-hydroxybutyric acid)								MAYO_ID
2-hydroxypyridine								MAYO_ID
3-AIB (a-amino[1-(14)C]isobutyric acid)								MAYO_ID
3-HB (3-hydroxybutyric acid)								MAYO_ID
Acetate								MAYO_ID
Acetoacetate								MAYO_ID
Acetone								MAYO_ID
Acetylsalicylic acid								MAYO_ID
Alanine								MAYO_ID
Allo-inositol								MAYO_ID
Arabitol								MAYO_ID
Benzoic acid								MAYO_ID
Beta- alanine								MAYO_ID
Cholesterol								MAYO_ID
Citrate								MAYO_ID
Creatine								MAYO_ID
Creatinine								MAYO_ID
Creatinine g								MAYO_ID
Cysteine								MAYO_ID
Fumaric acid								MAYO_ID
Galactinol								MAYO_ID
Galacturonic acid								MAYO_ID
Gluconic acid								MAYO_ID
Glucose_A								MAYO_ID
Glucose_beta								MAYO_ID
Glutamic acid								MAYO_ID
Glutamic acid  (dehydrated)								MAYO_ID
Glutamine								MAYO_ID
Glyceric acid								MAYO_ID
Glycerol								MAYO_ID
Glycerol -1-P								MAYO_ID
Glycine								MAYO_ID
Glycolic acid								MAYO_ID
Heptadecanoic acid								MAYO_ID
Iminodiacetic acid								MAYO_ID
Isoleucine								MAYO_ID
Isopropyl beta--thiogalactopyranoside								MAYO_ID
Lactate								MAYO_ID
Leucine								MAYO_ID
Linoleic acid								MAYO_ID
Lysine								MAYO_ID
Malic acid								MAYO_ID
Malonate								MAYO_ID
Mannitol								MAYO_ID
Melezitose								MAYO_ID
Methylamine								MAYO_ID
Methylguanidine								MAYO_ID
Myristic acid								MAYO_ID
Nicotinic acid								MAYO_ID
N-methylhistidine								MAYO_ID
Norleucine								MAYO_ID
Norvaline								MAYO_ID
Oleic acid								MAYO_ID
Ornithine								MAYO_ID
Oxalic acid								MAYO_ID
Palmitic acid								MAYO_ID
Palmitoleic acid								MAYO_ID
Phenylalanine								MAYO_ID
Phosphoric acid								MAYO_ID
Porphine								MAYO_ID
Proline								MAYO_ID
Pyrophosphate								MAYO_ID
Pyruvic acid								MAYO_ID
Serine								MAYO_ID
Serotonin								MAYO_ID
Stearic acid								MAYO_ID
Succinate								MAYO_ID
Sucrose								MAYO_ID
Tagatose								MAYO_ID
Threitol								MAYO_ID
Threonine								MAYO_ID
Tryptophan								MAYO_ID
Tyrosine								MAYO_ID
Urea								MAYO_ID
Uric acid								MAYO_ID
Valine								MAYO_ID
METABOLITES_END
#END