#METABOLOMICS WORKBENCH montewillis_20170520_053032 DATATRACK_ID:917 STUDY_ID:ST000623 ANALYSIS_ID:AN001820 PROJECT_ID:PR000455
VERSION             	1
CREATED_ON             	January 10, 2019, 8:40 am
#PROJECT
PR:PROJECT_TITLE                 	Non-targeted Metabolomics Analysis of Golden Retriever Muscular
PR:PROJECT_TITLE                 	Dystrophy-Affected Muscles Dog
PR:PROJECT_TYPE                  	GC-MS non targeted analysis
PR:PROJECT_SUMMARY               	Non-targeted Metabolomics Analysis of Golden Retriever Muscular
PR:PROJECT_SUMMARY               	Dystrophy-Affected Muscles Dog
PR:INSTITUTE                     	University of North Carolina
PR:DEPARTMENT                    	McAllister heart Institute, Department of Internal medicine
PR:LABORATORY                    	Multiple Centers
PR:LAST_NAME                     	Willis
PR:FIRST_NAME                    	Monte
PR:ADDRESS                       	111 Mason Farm road, Chapel Hill, North Carolina, 27599-7126, USA
PR:EMAIL                         	monte_willis@med.unc.edu
PR:PHONE                         	(984) 999-5431
PR:FUNDING_SOURCE                	NIH, Fondation Leducq
#STUDY
ST:STUDY_TITLE                   	Non-targeted Metabolomics Analysis of Golden Retriever Muscular
ST:STUDY_TITLE                   	Dystrophy-Affected Muscles Reveals Alterations in Arginine and Proline
ST:STUDY_TITLE                   	Metabolism, and Elevations in Glutamic and Oleic Acid In Vivo
ST:STUDY_SUMMARY                 	Like Duchenne muscular dystrophy (DMD), the Golden Retriever Muscular Dystrophy
ST:STUDY_SUMMARY                 	(GRMD) dog model of DMD exhibits is characterized by muscle necrosis,
ST:STUDY_SUMMARY                 	progressive paralysis, and pseudohypertrophy in specific skeletal muscles. This
ST:STUDY_SUMMARY                 	severe GRMD phenotype included atrophy of the biceps femoris (BF) and compared
ST:STUDY_SUMMARY                 	to unaffected normal dogs, while the long digital extensor (LDE) of the pelvic
ST:STUDY_SUMMARY                 	limb, serving as a hip flex and stifle extensor, is unaffected. A recent
ST:STUDY_SUMMARY                 	microarray analysis of GRMD identified alterations in genes associated with
ST:STUDY_SUMMARY                 	lipid metabolism and energy production. We, therefore, undertook a non-targeted
ST:STUDY_SUMMARY                 	metabolomics analysis of the GRMD BF (affected) and LDE (unaffected) using GC-MS
ST:STUDY_SUMMARY                 	to identify underlying metabolic defects specific for affected GRMD skeletal
ST:STUDY_SUMMARY                 	muscle. Of the 134 metabolites identified in BF, eight were significantly
ST:STUDY_SUMMARY                 	altered in GRMD BF compared to control BF (Glutamic Acid (2.48 fold vs.
ST:STUDY_SUMMARY                 	controls); Oleic Acid (1.76 fold vs. controls); Proline (1.73 fold vs.
ST:STUDY_SUMMARY                 	controls); Myoinositol-2- Phosphate (0.44 fold vs. controls); Fumaric Acid (0.40
ST:STUDY_SUMMARY                 	fold vs. controls); Carnosine (0.40 fold vs. controls); Lactamide (0.33 fold vs.
ST:STUDY_SUMMARY                 	controls); and Stearamide (0.23 fold vs. controls). Pathway analysis of the
ST:STUDY_SUMMARY                 	T-test significant metabolites identified BF muscle metabolites significantly
ST:STUDY_SUMMARY                 	enriched for Arginine and proline metabolism (p=5.8E-4, FDR=0.04) and Alanine,
ST:STUDY_SUMMARY                 	aspartate, and glutamate metabolism (p=1.3E-3, FDR=0.05). The GRMD LDE
ST:STUDY_SUMMARY                 	previously reported to be unaffected, in contrast, had only one significantly
ST:STUDY_SUMMARY                 	altered metabolite (3-Phosphoglyceric Acid (0.35 Fold vs. controls)).The
ST:STUDY_SUMMARY                 	identification of elevated BF Oleic acid (a long-chain fatty acid) is consistent
ST:STUDY_SUMMARY                 	with recent microarray studies identifying altered lipid metabolism genes, while
ST:STUDY_SUMMARY                 	alterations in Arginine and Proline metabolism are consistent with recent
ST:STUDY_SUMMARY                 	studies identifying elevated L-arginine in DMD patient sera as a biomarker of
ST:STUDY_SUMMARY                 	disease (alterations in DMD or GRMD muscle itself have not previously been
ST:STUDY_SUMMARY                 	reported).Together, these studies demonstrate muscle-specific alterations in
ST:STUDY_SUMMARY                 	GRMD-affected muscle, which illustrate previously unidentified metabolic
ST:STUDY_SUMMARY                 	changes.
ST:INSTITUTE                     	University of North Carolina
ST:DEPARTMENT                    	McAllister heart Institute, Department of Internal medicine, Department of
ST:DEPARTMENT                    	Pathology & Laboratory, Department of Pharmacology
ST:LABORATORY                    	Multiple Centers
ST:LAST_NAME                     	Willis
ST:FIRST_NAME                    	Monte
ST:ADDRESS                       	111 Mason Farm Road, MBRB 2336, Chapel Hill, North Carolina, 27599-7126, USA
ST:EMAIL                         	monte_willis@med.unc.edu
ST:PHONE                         	(984) 999-5431
ST:STUDY_COMMENTS                	Skeletal Muscle (Biceps femoris (BF), long digital extensor(LDE))
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Canis lupus familiaris
SU:TAXONOMY_ID                   	9615
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	K 8	Gentotype:Control BF	
SUBJECT_SAMPLE_FACTORS           	-	K 10	Gentotype:Control BF	
SUBJECT_SAMPLE_FACTORS           	-	K 7	Gentotype:Control BF	
SUBJECT_SAMPLE_FACTORS           	-	K 9	Gentotype:Control BF	
SUBJECT_SAMPLE_FACTORS           	-	K 2	Gentotype:GRMD BF	
SUBJECT_SAMPLE_FACTORS           	-	K 3	Gentotype:GRMD BF	
SUBJECT_SAMPLE_FACTORS           	-	K 4	Gentotype:GRMD BF	
SUBJECT_SAMPLE_FACTORS           	-	K 5	Gentotype:GRMD BF	
SUBJECT_SAMPLE_FACTORS           	-	K 6	Gentotype:GRMD BF	
SUBJECT_SAMPLE_FACTORS           	-	K 1	Gentotype:GRMD BF	
SUBJECT_SAMPLE_FACTORS           	-	K17	Gentotype:Control LDE	
SUBJECT_SAMPLE_FACTORS           	-	K 19	Gentotype:Control LDE	
SUBJECT_SAMPLE_FACTORS           	-	K 18	Gentotype:Control LDE	
SUBJECT_SAMPLE_FACTORS           	-	K 20	Gentotype:Control LDE	
SUBJECT_SAMPLE_FACTORS           	-	K 12	Gentotype:GRMD LDE	
SUBJECT_SAMPLE_FACTORS           	-	K 13	Gentotype:GRMD LDE	
SUBJECT_SAMPLE_FACTORS           	-	K 14	Gentotype:GRMD LDE	
SUBJECT_SAMPLE_FACTORS           	-	K 16	Gentotype:GRMD LDE	
SUBJECT_SAMPLE_FACTORS           	-	K 11	Gentotype:GRMD LDE	
SUBJECT_SAMPLE_FACTORS           	-	K 15	Gentotype:GRMD LDE	
#COLLECTION
CO:COLLECTION_SUMMARY            	Skeletal muscle (BF, LDE) was surgically biosied and flash frozen in liquid
CO:COLLECTION_SUMMARY            	nitrogen.
CO:SAMPLE_TYPE                   	Muscle
#TREATMENT
TR:TREATMENT_SUMMARY             	Fraction of cardiac tissue weighed (25-50 mg wet weight), then the finely cut up
TR:TREATMENT_SUMMARY             	tissue quickly added to fresh pre-made buffer (50 % acetyl-nitrile, 50% water,
TR:TREATMENT_SUMMARY             	0.3% formic acid) at a standard concentration of 25 mg/475 mcl buffer then fully
TR:TREATMENT_SUMMARY             	homogenized on ice for 20-25 s and placed on dry ice/stored at - 80C
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The samples were crash deprotonized by methanol precipitation and spiked with
SP:SAMPLEPREP_SUMMARY            	D27-deuterated myristic acid (D27-C14:0) as an internal standard for
SP:SAMPLEPREP_SUMMARY            	retention-time locking and dried. The trimethylsilyl-D27-C14:0 standard
SP:SAMPLEPREP_SUMMARY            	retention time (RT) was set at 16.727 min. Reactive carbonyls were stabilized at
SP:SAMPLEPREP_SUMMARY            	50C with methoxyamine hydrochloride in dry pyridine. Metabolites were made
SP:SAMPLEPREP_SUMMARY            	volatile with TMS groups using N-methyl-N-(trimethylsilyl) trifluoroacetamide or
SP:SAMPLEPREP_SUMMARY            	MSTFA with catalytic trimethylchlorosilane at 50C.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	GC/MS methods follow previous studies using a 6890 N GC connected to a 5975
CH:CHROMATOGRAPHY_SUMMARY        	Inert single quadrupole MS (Agilent Technologies, Santa Clara, CA) (Bonikos et
CH:CHROMATOGRAPHY_SUMMARY        	al. 1975; Fiehn 2008; Kind et al. 2009). The two wall-coated, open-tubular GC
CH:CHROMATOGRAPHY_SUMMARY        	columns connected in series are both from J&W/Agilent (part 122-5512), DB5-MS,
CH:CHROMATOGRAPHY_SUMMARY        	15 meters in length, 0.25 mm in diameter, with an 0.25-l m luminal film.
CH:CHROMATOGRAPHY_SUMMARY        	Positive ions generated with conventional electron-ionization at 70 eV are
CH:CHROMATOGRAPHY_SUMMARY        	scanned broadly from 600 to 50 m/z in the detector throughout the 45 min cycle
CH:CHROMATOGRAPHY_SUMMARY        	time.
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 6890N
CH:COLUMN_NAME                   	Agilent DB5-MS (15m × 0.25mm, 0.25um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 5975
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	none
MS:INSTRUMENT_NAME               	Agilent 5975 MS
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak values (Log transformed)
MS_METABOLITE_DATA_START
Samples	K 19	K 18	K 20	K 12	K 13	K 14	K 16	K 11	K 15	K 8	K 10	K 7	K 9	K 2	K 3	K 4	K 5	K 6	K 1
Factors	Gentotype:Control LDE	Gentotype:Control LDE	Gentotype:Control LDE	Gentotype:GRMD LDE	Gentotype:GRMD LDE	Gentotype:GRMD LDE	Gentotype:GRMD LDE	Gentotype:GRMD LDE	Gentotype:GRMD LDE	Gentotype:Control BF	Gentotype:Control BF	Gentotype:Control BF	Gentotype:Control BF	Gentotype:GRMD BF	Gentotype:GRMD BF	Gentotype:GRMD BF	Gentotype:GRMD BF	Gentotype:GRMD BF	Gentotype:GRMD BF
1,2-Propanediol	18.36	19.48	18.62	17.98	18.24	17.48	18.46	18.73	18.82	19.91	14.2	17.85	20.51	18.84	18.67	18.82	16.53	19.95	16.52
1,5-Anhydroglucitol	16.92	18.17	17.58	15.83	17.54	18.11	15.83		16.63		17.21	17.94	17.74	18.16	16.7	17.34	18.1	18.03	17.73
2-Aminoadipic Acid	21.96	20.93	22.2	21.8	21.6	21.5	20.33	19.56	21.37	22.02	22.12	21.78	22.02	22.44	20.93	21.62	21.32	21.63	21.64
2-Hydroxybutyric Acid	15.85	14.4	15.65	14.23	15.24	16.2	15.82		14.76	16.21			15.61	15.92	16.28	13.35		16.15	14.68
2-Hydroxyglutaric Acid	18.06	17.34	18.05	18.41	17.4	17.9	17.07	16.94	17.66	19.3	17.61		18.82		18.33	17.97		18.29	18.44
2-Hydroxypyridine	17.4	17.75	17.45	16.82	17.45	17.31	17.23	17.13	17.4	17.59	17.43	17.48	17.51	17.09	17.61	17.2	17.54	17.46	17.93
3-Phosphoglyceric Acid	17.58	17.24	17.34	16.6	16.67	17.22		14.62	15.37	15.08	15.73	14.64	14.74		13.69	18.56	17.28	18.08	15.62
4-Hydroxymandelic Acid	14.47	15.71	15.06	14.3	14.45	14.79	15.34	14.43	14.89	14.92	15.21	15.16	14.97	14.81	15.26	13.65		14.74	15.12
Adenine	14.94		14.88		15.52	15.45	14.6	15.78	14.84	16.38	15.2	15.11	15.42	15.29	15.05	15.55	15.07	15.31	15.72
Adenosine	17.66	19.25	18.35	17.34	17.53	18.06	18.88	17.35	17.96	18.02	18.77	18.08	18.84	17.82	18.61	17.77	16.02	17.56	17.87
Adenosine-5-Monophosphate	20.35	21.79	20.43	20.69	18.58	19.48	20.1	18.53	21.6	21.14	18.55	19	22.02		13.72	19.21	20.81	20.38	17.45
Alanine	20.9	21.07	20.78	20.26	20.98	20.76	20.73	20.01	20.76	21.13	20.88	21.04	21.21	21.25	20.64	20.87	20.23	20.64	21.6
Alpha-Tocopherol	16.9	17.15	16.62	16.81	16.52	17.03	16.49	15.24	16.25	17.09	15.85	17.19	16.14	16.16	16	17.19	16.76	17.17	16.46
Aminomalonic Acid	17.97	17.93	17.01	18.16	17.86	17.33	17.61	16.24	17.04	17.14	17.4	17.97	17.36	17.42	17.3	17.28	17.55	16.97	17.95
Lactamide	15.73	15.34	15.95		15.48	15.24		14.24	15.65	13.98	15.71	14.26	16.11		11.95	14.81	12.61	13.93	
Arachidonic Acid (Also Eicosapentaenoic Acid)	19.18	19.39	19.76	17.83	19.52	19.89	18.93	18.37	19.43	19.39	19.56	18.8	19.43	19.88	20.63	19.78	16.82	19.13	20.52
Asparagine	18.25	18.25	18.04	18.83	18.74	18.39	19.19	17.86	17.91	19.18	18.2	19.15	19.25	18.77	19.49	18.3	19.04	18.62	19.22
Aspartic Acid	19.96	20.07	19.37	19.48	18.77	20.14	19.42	18.19	18.7	20.06	18.49	20.57	19.79	19.55	18.04	18.97	19.24	19.71	19.69
Beta-Alanine	15.5	16.52	16.22	20.13	15.27	15.12	16.59	16.4	16.35	15.84	16.58	15.69	16.27	15.36	16.3	14.36	19.99	14.88	15.48
Beta-Hydroxybutyric Acid	16.04	16.48	17.53	16.69	17.39	16.46	17.87	16.06	17.48	16.58	17.58	15.4	17.64	16.54	18.64	17.05	16.22	16.28	17.77
Campesterol	15.05	13.22	14.4		14.56	13.61	13.28		13.91	13.78	13.9	14.06	14	13.69		14.7		13.86	11.53
Carnosine	22.08	23.04	23.02	22.16	21.56	21.44	23.21	23.12	22.56	22.77	23.35	22.14	22.56	20.57	22.26	21.28	19.96	21.41	22.09
Cholesterol	24.78	24.35	24.01	24.69	24.85	24.94	24.29	22.85	24	24.96	23.98	24.16	24.07	24.53	24.37	24.42	23.65	24.86	24.19
Citric Acid/Isocitric Acid	19.96	20.47	20.07	19.9	20.11	20.01	19.18	21.16	19.95	20.82	19.2	21.27	21.16	17.98	17.47	20.74	19.99	21.57	20.18
Creatinine	24.16	24.89	24.76	24.9	24.38	24.24	24.45	24	24.44	24.23	24.54	23.96	24.34	24.42	23.41	24.25	24.35	23.66	25.2
Dehydroascorbic Acid	19.47	17.16	16.7	18.59	19.52	19.66	19.11	16.73	17.08	18.8	16.82	16.24	16.1	18.56	17.8	19.11	17.17	18.67	15.86
Disaccharide	20.03	19.11	19.21	15.83	20.15	19.83	20.1	20.34	17.89	18.47	20.1	16.44	17.26	16.68	16.05	19.24	16.49	18.13	18.27
Ethanolamine	16.49	16.98	17.29	15.51	16.9	16.98	16.38	15.55	16.5	16.9	17.15	15.7	16.49	16.35	17.71	17.55	15.31	16.21	16.45
Fructose Or Similar Ketohexose	15.52	13.73	15.41	14.2	14.82	14.8	14.43	13.79	14.77	13.31	17.64	12.12	17.11			13.36		13.88	16.07
Fructose-6-Phosphate	20.65	20.73	19.9	18.92	19.27	19.58	19.64	19.43	21.48	18.66	22.01	18.15	20.6	17.45	18.11	19.32	17.09	18.11	22.77
Fumaric Acid	18.76	19.98	19.66	18.46	18.47	18.7	19.61	18.31	19.52	19.12	19.27	19.31	20.16	18.42	18.34	18.03	17.74	17.98	18.55
Gamma-Hydroxybutyric Acid/Ethylmalonic Acid	17.58	15.6	18.28	15.39	16.75	17.25	16.67	15.49	18	15.32	18.74	13.59	17.96	15.6	18.53	16.78	15.07	14.66	19.77
Glucose And Other Aldohexoses	23.92	23.38	21.74	21.38	22.2	23.67	23.05	23.13	23.48	21.64	22.79	19.89	22.96	22.5	21.05	22.61	22.37	23.44	23.12
Glucose-6-Phosphate	22.39	22.12	21.62	20.51	20.49	21.29	21.33	20.67	23.18	20.09	23.7	19.61	22.25	18.55	19.03	20.57	18.13	19.75	21
Glutamic Acid	21.98	21.97	20.33	21.07	21.91	22.05	20.6	19.57	21.32	20.86	19.48	21.71	20.44	21.77	23.29	22.11	21.74	21.62	21.41
Glutamine	22.91	22.74	22.74	22.12	22.73	22.84	22.46	21.3	22.02	22.89	21.82	22.22	22.59	21.38	23.53	22.48	21.52	22.52	21.61
Glycerol 1-Phosphate	22.42	23.42	23.2	21.89	22.13	21.91	22.79	21.37	22.44	20.75	22.95	20.45	22.76	20.53	23.3	22.62	21.24	19.84	21.48
Glycine	22.41	22.07	20.99	22.66	22.44	21.98	21.99	20.93	21.34	23.15	21.72	22.5	21.96	22.08	21.6	22.1	21.81	21.86	22.27
Hydroxyprolines	17.16	16.87	15.56	15.94	18.01	16.89	15.77	15.29	16.71	17.33	16.9	18.41	17.86	17.88	17.23	17.85	14.59	16.55	17.08
Hypotaurine	17.84	16.38	15.83	18.4	17.85	16.79	16.75	14.88		17.52	15.61	14.82	15.32	16.88	15.48	17.24	16.77	16.34	
Hypoxanthine	20.2	19.72	20.24	18.77	20.55	20.29	20.84	20.3	19.69	20.19	20.27	18.66	19.86	20.54	18.61	19.79	18.42	20.33	19.55
Inosine	23.81	23	23.59	21.46	23.92	22.91	23.61	21.98	21.92	22.53	23.4	21.94	23.09	22.84	21.14	23.55	20.89	22.54	22.46
Isoleucine/Leucine	17.26	17.21	16.75	18.52	17.34	17.9	17.79	16.3	16.81	17.65	16.45	17.2	16.76	17.01	17.86	16.66	18.8	17.4	17.23
Ketopentose-5-Phosphate	17.98	16.84	17.88	15.15	17.98	17.59	18.04	17.54	16.52	18.01	18.02	16.74	16.56	17.01	14.74	18.03	15.6	17.9	16.53
Lactic Acid	26.45	26.14	26.46	26.06	26.39	26.13	25.98	25.5	26.34	25.49	26.63	24.58	26.35	25.76	25.17	25.87	24.96	25.23	26.63
Linoleic Acid	19.09	19.59	19.86	18.53	19.27	19.36	18.94	18.92	19.58	19.41	20.23	19.25	19.52	20.04	21.08	20.07	18.25	19.06	20.51
Lysine	21.4	20.61	20.25	20.85	21.27	21.39	20.66	19.47	20.09	21.56	19.37	20.21	20.78	21.18	20.46	21.06	19.99	21.07	20.27
Malic Acid	21.64	21.85	22.2	20.98	21.65	21.97	22.36	20.86	21.53	21.96	21.97	22.34	21.15	21.7	20.38	21.32	20.38	21.75	20.79
Maltose Or Similar Disaccharide	21.77	21.51	21.26	19.46	22.22	21.66	22.19	22.27	20.24	20.18	22.23	20.33	21.39	20.57	21.79	21.27	18.61	19.78	20.49
Myoinositol	24.39	23.99	23.39	24.11	24.09	24.34	23.87	22.6	23.46	25.52	23.45	24.13	23.96	24.92	24.13	24.73	25.12	25.11	24.35
Myoinositol-2-Phosphate			15.71	15.07	15.3	16.18	15.13	15.77	16.31	15.46	16.11	16.56	16.3		13.81		14.37	15.92	
N-Acetylneuraminic Acid	16.19	17.3	15.95	16.9	15.64	15.63	15.78	13.12	15.9	16.32	16.52	15.42	15.72	15.21	16.66	15.18	15.26	15.57	
N-Methylalanine/2-Aminobutanoic Acid/N-Ethylglycine	15.06	14.06	12.95	12.5	12.3	14.96	15.22	11.32	14.1	14.27	11.62	12.56	12.45	14.96	13.94	13.57	12.89	13.08	15.51
O-Methylphosphate	13.8	17.42	16.2	18.77	14.98	14.55	17	19.86	17.82	19.57	16.24	19.66	19.31	16.2	15.99	16.48	17.65	18.55	16.53
O-Phosphocolamine	20.81	19.67	19.24	19.97	20.09	21.16	20.49	18.63	19.39	20.2	18.69	18.28	18.57	18.14	18.78	19.87	18.47	20.34	17.27
Oleic Acid	17.25	18.12	17.94	17.54	16.47	17.25	18.84	15.82	17.55	17.21	17.57	17.23	17.09	17.72	18.5	17.92	18.18	18.2	18.01
Pantothenic Acid	16.05	17.34	16.14	17.08	15.36	15.2	17	14.44	16.25	16.08	15.79	16.75	15.98	14.65	17.04	15.36	16.32	14.61	16.52
Phenylalanine	18	17.94	17.98	17.97	17.84	18.59	18.1	16.3	17.27	18.17	17.44	17.47	18.1	17.17	17.83	17.33	18.34	17.86	18.13
Phosphoric Acid	26.04	26.21	25.68	26.06	25.85	25.82	25.86	25.79	25.95	25.77	25.4	25.41	25.91	25.04	25.42	25.43	25.6	25.56	25.54
Proline	18.62	16.43	17.37	18.96	18.73	18.9	18.31	17.12	17.27	18.78	17.5	17.93	17.52	19.53	18.38	18.62	18.46	18.91	18.72
Pyrophosphate	18.68	21.32	20.51	19.69	17.21	18.11	19.95	21.6	21.21	20.25	20.33	22.82	22.21		13.27	19.51	20.26	21.81	16.31
Serine	20.34	20.29	19.82	20.41	20.54	20.06	20.49	18.67	19.53	21.06	19.55	20.06	20.52	20.24	20.78	20.39	20.27	19.85	20.55
Siloxanes_R1		15.09	14.69	13.25	13.05	13.85	11.2	12.65	13.95	13.46	15.67	13.92	14.22		14.15	12.9			14.04
Siloxanes_R2	15.75	14.18	15.53	14.82	13.18	16.38	15.6	16.14	15.53	13.38	14.17	14.02	14.1	12.65		13.02	13.2	13.2	14.14
Siloxanes_R3	16.69	18.16	17.51	18.44	17.64	17.07	16.44	17.47	17.56	17.71	17.37	17.9	17.79	17.88	16.38	17.82	17.56	17.81	17.71
Spermidine	19.26	16.27	16.16	17.68	18.94	19.25	18.49	15.69	15.8	19.3	14.8	15.15	15.51	18.33	16.61	19.04	17.12	19.04	
Spermine	16.38	15.44	14.85	15.51	17.49	16.51	15.49	15.61	13.73	17	13.81	14.23	14.1	16.32	15.1	18.04	15.51	16.85	14.96
Squalene	16.59	18.86	17.46	16.39	15.82	15.77	17.79	17.3	18.31	17.6	18.53	18.26	18.73	16.75	18.38	16.42	15.5	16.47	18.55
Stearamide		20.02	19.18	17.1	18.71	17.73	18.78	19.99	19.71	18.73	20.09	19.39	20.9	17.2	17.96	17.99		17.51	18.74
Succinic Acid	20.74	22.01	21.84	20.62	20.49	19.8	21.31	19.72	21.7	19.76	22.31	20.3	21.13	19.82	22.24	20.26	19.85	18.48	21.6
Threonine	20.42	20.7	20.15	20.29	20.64	21.02	20.36	18.92	20.09	20.79	19.65	20.31	20.44	20.35	20.13	20.04	19.74	20.58	20.59
Trisaccharide	19.84	20.21	19.47	16.27	20.49	18.94	19.68	18.58	18.78	17.58	20.77	17.51	17.63	17.08	18.67	19.6	16.22	16.73	20.62
Tyrosine	18.32	18.53	18.94	18.25	17.97	18.9	18.54	17.85	18.18	18.31	17.84	18.14	18.9	17.33	17.93	17.19	18.78	18.4	17.98
Uracil	16.62	15.85	14.88	16.08	17.1	17.01	16.73	14.53	15.87	16.52	15.01	13.04	15.39	16.03	15.88	15.89	15.05	15.74	15.2
Urea	21.97	23.05	21.97	22.44	22.25	21.98	22.15	22.53	22.38	22.12	22.89	22.62	23.13	22.19	22.34	22.04	21.99	22.04	22.68
Uric Acid	16.45	15.32	14.99	17.17	17.07	17.39	15.89	15.52	14.85	16.58	15.22	13.6	15.06	14.59	14.25	16.32	15.3	16.61	14.51
Valine	18.48	16.54	17.14	17.65	16.49	18.7	18.76	17.26	17.87	18.46	16.49	16.29	15.69	18.16	16.81	17.17	19.17	16.74	18.37
Xanthine	18.09	16.67	17.32	17.23	18.47	18.42	18.01	16.98	17.37	17.83	17.25	15.4	17.54	16.77	15.15	17.7	16.16	17.95	15.91
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
1,2-Propanediol
1,5-Anhydroglucitol
2-Aminoadipic Acid
2-Hydroxybutyric Acid
2-Hydroxyglutaric Acid
2-Hydroxypyridine
3-Phosphoglyceric Acid
4-Hydroxymandelic Acid
Adenine
Adenosine
Adenosine-5-Monophosphate
Alanine
Alpha-Tocopherol
Aminomalonic Acid
Lactamide
Arachidonic Acid (Also Eicosapentaenoic Acid)
Asparagine
Aspartic Acid
Beta-Alanine
Beta-Hydroxybutyric Acid
Campesterol
Carnosine
Cholesterol
Citric Acid/Isocitric Acid
Creatinine
Dehydroascorbic Acid
Disaccharide
Ethanolamine
Fructose Or Similar Ketohexose
Fructose-6-Phosphate
Fumaric Acid
Gamma-Hydroxybutyric Acid/Ethylmalonic Acid
Glucose And Other Aldohexoses
Glucose-6-Phosphate
Glutamic Acid
Glutamine
Glycerol 1-Phosphate
Glycine
Hydroxyprolines
Hypotaurine
Hypoxanthine
Inosine
Isoleucine/Leucine
Ketopentose-5-Phosphate
Lactic Acid
Linoleic Acid
Lysine
Malic Acid
Maltose Or Similar Disaccharide
Myoinositol
Myoinositol-2-Phosphate
N-Acetylneuraminic Acid
N-Methylalanine/2-Aminobutanoic Acid/N-Ethylglycine
O-Methylphosphate
O-Phosphocolamine
Oleic Acid
Pantothenic Acid
Phenylalanine
Phosphoric Acid
Proline
Pyrophosphate
Serine
Siloxanes_R1
Siloxanes_R2
Siloxanes_R3
Spermidine
Spermine
Squalene
Stearamide
Succinic Acid
Threonine
Trisaccharide
Tyrosine
Uracil
Urea
Uric Acid
Valine
Xanthine
METABOLITES_END
#END