#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