#METABOLOMICS WORKBENCH montewillis_20171225_093329 DATATRACK_ID:1286 STUDY_ID:ST000925 ANALYSIS_ID:AN001518 PROJECT_ID:PR000641 VERSION 1 CREATED_ON January 24, 2018, 2:00 pm #PROJECT PR:PROJECT_TITLE The Multi-Faceted Roles of MuRF1 in Unloaded HL-1 Cardiomyocyte-Derived Cell PR:PROJECT_TITLE Metabolism Identified by Untargeted Metabolomics PR:PROJECT_TYPE GC-MS Non-targeted analysis PR:PROJECT_SUMMARY Stretch-induced alterations in metabolites (+/- MuRF1 knock-down) in HL-1 PR:PROJECT_SUMMARY cardiomyocyte-derived cell line PR:INSTITUTE University of North Carolina PR:DEPARTMENT McAllister heart Institute, Dept. Pathology & Lab Medicine, Dept. Pharmacology 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, Leducq Foundation #STUDY ST:STUDY_TITLE MuRF1-Related Metabolomic Changes in Stretched and Unloaded HL-1 Cells ST:STUDY_SUMMARY Introduction: Left ventricular assist devices (LVADs) provide significant ST:STUDY_SUMMARY pressure and volume unloading, which reverse key structural features of heart ST:STUDY_SUMMARY failure, including hypertrophy, fibrosis, and altered sympathetic innervation. ST:STUDY_SUMMARY This has led to LVADs increasing utilization as both a bridge or destination ST:STUDY_SUMMARY therapy for heart failure. While distinct metabolic changes occur in the human ST:STUDY_SUMMARY myocardium with LVAD placement, the specific molecular mechanisms underlying ST:STUDY_SUMMARY these changes have not been identified. Objectives: To identify the role of ST:STUDY_SUMMARY MuRF1 in the metabolic changes in cardiomyocytes unloading in vitro. Methods: ST:STUDY_SUMMARY HL-1 atrial cardiomyocyte cells were plated on silastic membranes coated with ST:STUDY_SUMMARY gelatin/fibronectin and transduced with AdshRNA MuRF1 (or AdshRNA Scramble ST:STUDY_SUMMARY control) to knock-down MuRF1 protein to <25% of controls and subjected to 15% ST:STUDY_SUMMARY biaxial stretch at 1 Hz using the Flexcell FX-5000™ Compression System in ST:STUDY_SUMMARY serum free DMEM (or no-stretch). After 6 hours stretch, media was collected in ST:STUDY_SUMMARY parallel with time-matched no-stretch controls, followed by serial collections ST:STUDY_SUMMARY at 1, 3, 6, and 12 hours unloading (i.e. after termination of stretch). Media ST:STUDY_SUMMARY was analyzed by untargeted metabolomics using GC-MS. Results: After 6 hours ST:STUDY_SUMMARY stretch, control HL-1 cell media (AdshRNA Scramble) had 19 significantly altered ST:STUDY_SUMMARY metabolites compared to non-stretched control cell media (AdshRNA Scramble) by ST:STUDY_SUMMARY t-test, involved in: 1) glyoxylate and dicarboxylate metabolism (p=0.00087043, ST:STUDY_SUMMARY FDR=0.071375), 2) methane metabolism (p=0.0041113, FDR=0.089824), 3) glycine, ST:STUDY_SUMMARY serine and threonine metabolism (p=0.0043816, FDR=0.089824), and 4) ST:STUDY_SUMMARY aminoacyl-tRNA biosynthesis(p=0.0060141, FDR=0.09863). To determine the role of ST:STUDY_SUMMARY MuRF1 in stretch, we additionally compared the AdshRNA Scramble groups to ST:STUDY_SUMMARY AdshRNA MuRF1 +/- stretch at 6 hours and identified 41 significant metabolites ST:STUDY_SUMMARY (of 79 identified) by ANOVA, involved in: 1) phenylalanine, tyrosine, and ST:STUDY_SUMMARY tryptophan biosynthesis (p=0.0036482, FDR=0.05983), 2) aminoacyl-tRNA ST:STUDY_SUMMARY biosynthesis (p=3.74E-07, FDR=3.06E-05), and 3) valine, leucine, and isoleucine ST:STUDY_SUMMARY biosynthesis (p=0.0021624, FDR=0.053255). We next compared the 6 hour stretch ST:STUDY_SUMMARY time point of the four groups to the 1, 3, 6, and 12 hours unloading conditions ST:STUDY_SUMMARY to identify MuRF1-associated metabolites during the unloading period. At 12 ST:STUDY_SUMMARY hours of unloading (representative 1, 3, and 6 hours unloading), MuRF1 ST:STUDY_SUMMARY knock-down cell media had 35 (of 82 named metabolites) significantly different ST:STUDY_SUMMARY metabolites by ANOVA involved in 1) phenylalanine, tyrosine and tryptophan ST:STUDY_SUMMARY biosynthesis (p=0.0023668, FDR=0.048519), 2) aminoacyl-tRNA biosynthesis ST:STUDY_SUMMARY (p=0.0011403, FDR=0.0032631), 3) phenylalanine metabolism (P= 0.0011403, FDR ST:STUDY_SUMMARY 0.042673),and arginine and proline metabolism (p=0.0015612, FDR 0.042673). A ST:STUDY_SUMMARY final analysis comparing all four groups across all five time points identified ST:STUDY_SUMMARY 21 significant metabolites. When MuRF1 was knocked down (no stretch), these 21 ST:STUDY_SUMMARY metabolites were significantly increased without stretch. In response to stretch ST:STUDY_SUMMARY and unloading, these metabolites were further decreased in AdshRNA Scramble ST:STUDY_SUMMARY (control) cell media decreased. In contrast, these stretch and unloading induced ST:STUDY_SUMMARY decreases were attenuated in AdshRNA MuRF1 cell media. These metabolites ST:STUDY_SUMMARY included nine (9) amino acids (citrulline, phenylalanine, tyrosine, asparagine, ST:STUDY_SUMMARY 2-ketovaline, and -ketoleucine/ketoisoleucine, threonine, isoleucine, leucine), ST:STUDY_SUMMARY three (3) metabolic co-factors (Pantothenic acid, Myoinositol, ST:STUDY_SUMMARY 5,6-Dihydrouracil), and one fatty acid (stearic acid). Conclusion: These studies ST:STUDY_SUMMARY identify for the first time a role for MuRF1 in generating key amino acids ST:STUDY_SUMMARY recently reported in LVAD unloading in human myocardium using an in vitro model ST:STUDY_SUMMARY of atrial cardiomyocyte unloading. ST:INSTITUTE University of North Carolina ST:DEPARTMENT McAllister heart Institute, Department of Internal medicine ST:LABORATORY Multiple Centers ST:LAST_NAME Willis ST:FIRST_NAME Monte ST:ADDRESS 111 Mason Farm road, Chapel Hill, North Carolina, 27599-7126, USA ST:EMAIL monte_willis@med.unc.edu ST:PHONE (984) 999-5431 ST:STUDY_COMMENTS Cell culture media #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 1 Sample type:Ad.shRNA Scramble | Stretch Cycle:Non-stretched SUBJECT_SAMPLE_FACTORS - 2 Sample type:Ad.shRNA Scramble | Stretch Cycle:Non-stretched SUBJECT_SAMPLE_FACTORS - 3 Sample type:Ad.shRNA Scramble | Stretch Cycle:Non-stretched SUBJECT_SAMPLE_FACTORS - 4 Sample type:Ad.shRNA Scramble | Stretch Cycle:Non-stretched SUBJECT_SAMPLE_FACTORS - 5 Sample type:Ad.shRNA Scramble | Stretch Cycle:Non-stretched SUBJECT_SAMPLE_FACTORS - 6 Sample type:Ad.shRNA Scramble | Stretch Cycle:Non-stretched SUBJECT_SAMPLE_FACTORS - 7 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch SUBJECT_SAMPLE_FACTORS - 8 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch SUBJECT_SAMPLE_FACTORS - 9 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch SUBJECT_SAMPLE_FACTORS - 10 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch SUBJECT_SAMPLE_FACTORS - 11 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch SUBJECT_SAMPLE_FACTORS - 12 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch SUBJECT_SAMPLE_FACTORS - 13 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:Non-stretched SUBJECT_SAMPLE_FACTORS - 14 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:Non-stretched SUBJECT_SAMPLE_FACTORS - 15 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:Non-stretched SUBJECT_SAMPLE_FACTORS - 16 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:Non-stretched SUBJECT_SAMPLE_FACTORS - 17 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:Non-stretched SUBJECT_SAMPLE_FACTORS - 18 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:Non-stretched SUBJECT_SAMPLE_FACTORS - 19 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch SUBJECT_SAMPLE_FACTORS - 20 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch SUBJECT_SAMPLE_FACTORS - 21 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch SUBJECT_SAMPLE_FACTORS - 22 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch SUBJECT_SAMPLE_FACTORS - 23 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch SUBJECT_SAMPLE_FACTORS - 24 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch SUBJECT_SAMPLE_FACTORS - 31 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 1 hour unloading SUBJECT_SAMPLE_FACTORS - 32 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 1 hour unloading SUBJECT_SAMPLE_FACTORS - 33 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 1 hour unloading SUBJECT_SAMPLE_FACTORS - 34 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 1 hour unloading SUBJECT_SAMPLE_FACTORS - 35 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 1 hour unloading SUBJECT_SAMPLE_FACTORS - 36 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 1 hour unloading SUBJECT_SAMPLE_FACTORS - 43 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 1 hour unloading SUBJECT_SAMPLE_FACTORS - 44 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 1 hour unloading SUBJECT_SAMPLE_FACTORS - 45 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 1 hour unloading SUBJECT_SAMPLE_FACTORS - 46 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 1 hour unloading SUBJECT_SAMPLE_FACTORS - 47 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 1 hour unloading SUBJECT_SAMPLE_FACTORS - 48 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 1 hour unloading SUBJECT_SAMPLE_FACTORS - 55 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 3 hours unloading SUBJECT_SAMPLE_FACTORS - 56 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 3 hours unloading SUBJECT_SAMPLE_FACTORS - 57 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 3 hours unloading SUBJECT_SAMPLE_FACTORS - 58 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 3 hours unloading SUBJECT_SAMPLE_FACTORS - 59 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 3 hours unloading SUBJECT_SAMPLE_FACTORS - 60 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 3 hours unloading SUBJECT_SAMPLE_FACTORS - 67 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 3 hours unloading SUBJECT_SAMPLE_FACTORS - 68 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 3 hours unloading SUBJECT_SAMPLE_FACTORS - 69 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 3 hours unloading SUBJECT_SAMPLE_FACTORS - 70 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 3 hours unloading SUBJECT_SAMPLE_FACTORS - 71 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 3 hours unloading SUBJECT_SAMPLE_FACTORS - 72 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 3 hours unloading SUBJECT_SAMPLE_FACTORS - 79 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 6 hours unloading SUBJECT_SAMPLE_FACTORS - 80 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 6 hours unloading SUBJECT_SAMPLE_FACTORS - 81 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 6 hours unloading SUBJECT_SAMPLE_FACTORS - 82 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 6 hours unloading SUBJECT_SAMPLE_FACTORS - 83 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 6 hours unloading SUBJECT_SAMPLE_FACTORS - 84 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 6 hours unloading SUBJECT_SAMPLE_FACTORS - 91 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 6 hours unloading SUBJECT_SAMPLE_FACTORS - 92 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 6 hours unloading SUBJECT_SAMPLE_FACTORS - 93 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 6 hours unloading SUBJECT_SAMPLE_FACTORS - 94 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 6 hours unloading SUBJECT_SAMPLE_FACTORS - 95 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 6 hours unloading SUBJECT_SAMPLE_FACTORS - 96 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 6 hours unloading SUBJECT_SAMPLE_FACTORS - 103 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 12 hours unloading SUBJECT_SAMPLE_FACTORS - 104 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 12 hours unloading SUBJECT_SAMPLE_FACTORS - 105 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 12 hours unloading SUBJECT_SAMPLE_FACTORS - 106 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 12 hours unloading SUBJECT_SAMPLE_FACTORS - 107 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 12 hours unloading SUBJECT_SAMPLE_FACTORS - 108 Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 12 hours unloading SUBJECT_SAMPLE_FACTORS - 115 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 12 hours unloading SUBJECT_SAMPLE_FACTORS - 116 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 12 hours unloading SUBJECT_SAMPLE_FACTORS - 117 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 12 hours unloading SUBJECT_SAMPLE_FACTORS - 118 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 12 hours unloading SUBJECT_SAMPLE_FACTORS - 119 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 12 hours unloading SUBJECT_SAMPLE_FACTORS - 120 Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 12 hours unloading #COLLECTION CO:COLLECTION_SUMMARY Cell culture media was collected and immediately stored at -80C. CO:SAMPLE_TYPE cardiomyocyte cells #TREATMENT TR:TREATMENT_SUMMARY No further treatment prior to extraction was performed. #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:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 5975 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 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 31 32 33 34 35 36 43 44 45 46 47 48 55 56 57 58 59 60 67 68 69 70 71 72 79 80 81 82 83 84 91 92 93 94 95 96 103 104 105 106 107 108 115 116 117 118 119 120 Factors Sample type:Ad.shRNA Scramble | Stretch Cycle:Non-stretched Sample type:Ad.shRNA Scramble | Stretch Cycle:Non-stretched Sample type:Ad.shRNA Scramble | Stretch Cycle:Non-stretched Sample type:Ad.shRNA Scramble | Stretch Cycle:Non-stretched Sample type:Ad.shRNA Scramble | Stretch Cycle:Non-stretched Sample type:Ad.shRNA Scramble | Stretch Cycle:Non-stretched Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch Sample type:Ad.shRNA MuRF1 | Stretch Cycle:Non-stretched Sample type:Ad.shRNA MuRF1 | Stretch Cycle:Non-stretched Sample type:Ad.shRNA MuRF1 | Stretch Cycle:Non-stretched Sample type:Ad.shRNA MuRF1 | Stretch Cycle:Non-stretched Sample type:Ad.shRNA MuRF1 | Stretch Cycle:Non-stretched Sample type:Ad.shRNA MuRF1 | Stretch Cycle:Non-stretched Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 1 hour unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 1 hour unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 1 hour unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 1 hour unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 1 hour unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 1 hour unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 1 hour unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 1 hour unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 1 hour unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 1 hour unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 1 hour unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 1 hour unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 3 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 3 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 3 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 3 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 3 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 3 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 3 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 3 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 3 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 3 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 3 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 3 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 6 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 6 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 6 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 6 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 6 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 6 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 6 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 6 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 6 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 6 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 6 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 6 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 12 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 12 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 12 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 12 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 12 hours unloading Sample type:Ad.shRNA Scramble | Stretch Cycle:6 hours stretch, 12 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 12 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 12 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 12 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 12 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 12 hours unloading Sample type:Ad.shRNA MuRF1 | Stretch Cycle:6 hours stretch, 12 hours unloading 5,6-Dihydrouracil 13.90 14.47 14.73 15.18 14.72 13.85 16.32 13.64 14.90 14.69 14.41 15.60 15.11 14.61 15.26 14.88 14.86 15.35 15.14 15.32 15.06 15.60 15.70 16.07 16.10 15.89 15.58 15.36 15.41 15.31 15.61 16.18 15.12 16.17 16.47 15.89 15.48 15.83 15.30 15.43 15.88 15.96 15.57 16.21 15.43 15.53 16.82 15.79 16.20 15.99 14.79 14.52 16.45 15.88 12.87 15.87 16.03 15.43 15.94 16.00 16.44 16.40 1-Dodecanol 14.05 13.78 15.23 13.31 14.02 15.77 13.82 14.20 13.39 13.16 13.88 13.42 13.98 14.26 1,2-Propanediol 19.03 18.86 19.03 19.12 18.89 18.93 19.22 18.41 19.19 19.76 19.15 19.99 18.50 18.70 19.61 19.22 18.34 19.16 20.00 19.84 20.35 20.35 20.19 20.61 19.99 19.24 19.90 19.93 20.13 20.15 20.14 20.02 20.46 20.50 20.00 20.47 19.62 19.90 19.97 20.35 20.35 20.75 19.59 20.00 20.60 20.16 20.92 20.23 20.07 19.91 20.16 20.54 20.80 20.82 19.89 21.11 19.58 20.54 20.64 19.10 19.82 19.67 20.53 19.71 20.77 21.11 20.59 20.70 21.21 1,3-Dihydroxyacetone 18.84 18.18 18.95 18.74 18.94 18.58 18.27 17.67 18.11 18.67 17.87 18.97 17.98 18.24 17.79 17.79 18.16 17.52 18.25 17.84 17.51 17.96 18.18 17.79 18.73 18.29 18.68 18.89 18.31 17.74 17.81 17.43 18.64 18.37 18.83 18.73 18.41 18.63 18.42 18.18 18.68 17.83 18.10 17.82 18.58 18.40 18.76 18.91 19.02 17.89 16.87 16.40 17.86 17.76 18.52 19.04 17.29 19.44 18.58 19.50 17.89 17.86 17.74 17.79 18.37 2-Amino-2-Methyl-1,3-Propanediol 18.02 17.48 18.25 17.92 18.08 17.67 17.69 17.77 16.81 17.47 17.52 17.46 17.82 17.81 17.72 17.58 18.18 17.86 17.56 17.69 17.88 17.98 17.62 17.64 17.70 2-Ethylhexanoic Acid 14.07 13.27 15.71 13.26 14.68 13.78 15.81 15.90 16.22 14.20 15.37 14.83 13.06 16.53 2-Hydroxy-3-Methylvaleric Acid 13.53 14.03 13.22 15.09 14.93 14.93 15.27 14.82 14.12 14.30 14.00 13.53 14.46 13.34 13.08 13.69 14.71 14.30 13.30 13.22 14.75 14.71 14.04 14.80 13.59 12.48 15.10 14.29 14.89 13.72 14.11 14.82 14.79 14.37 13.16 13.91 14.12 14.24 14.69 14.73 14.83 15.65 13.75 14.04 2-Hydroxybutyric Acid 14.69 13.96 14.26 13.97 15.73 14.14 2-Hydroxyglutaric Acid 18.92 18.38 19.13 18.74 19.65 18.72 18.47 17.01 17.18 18.34 17.93 18.82 18.14 18.75 18.51 18.95 18.46 18.79 18.06 17.81 19.24 18.07 18.01 18.24 18.51 18.73 18.41 18.56 18.77 17.74 17.70 17.76 18.25 18.56 18.53 16.65 18.34 18.27 18.87 18.05 18.30 17.13 18.81 18.29 18.84 18.30 19.29 15.33 18.79 19.18 18.29 17.42 18.19 18.15 18.14 17.16 18.69 18.85 18.83 18.35 19.30 18.59 17.96 18.25 18.25 18.30 18.52 2-Isopropylmalic Acid 19.26 19.70 19.73 19.60 20.48 20.23 20.47 19.91 20.39 22.62 20.09 20.78 20.54 19.88 19.94 19.67 20.58 20.82 20.45 19.74 20.86 21.51 19.73 20.48 19.80 21.44 21.69 20.28 19.49 20.95 21.62 2-Ketoleucine/Ketoisoleucine 23.49 23.35 23.51 22.42 23.41 23.32 22.62 20.85 22.36 22.99 22.35 23.28 23.24 23.72 23.54 23.91 23.37 23.70 23.43 23.19 23.94 23.45 23.46 23.59 23.44 23.04 23.98 23.19 23.47 23.23 23.33 23.47 23.58 23.69 23.98 23.34 23.32 23.45 23.00 23.56 22.48 23.83 23.65 23.88 23.25 24.23 24.06 24.39 23.72 23.36 23.19 23.83 23.55 23.64 23.85 23.24 23.87 21.84 23.57 23.99 21.70 23.33 23.09 23.36 22.47 23.85 24.08 23.74 24.06 23.87 23.94 24.10 2-Ketovaline 20.68 20.14 20.53 20.00 20.37 20.14 19.78 18.28 19.35 20.26 19.38 20.37 20.65 21.06 20.70 21.30 20.87 21.12 20.63 20.41 21.02 20.90 20.50 20.77 20.44 20.14 20.44 20.27 20.48 20.38 20.53 20.58 20.65 20.95 21.08 20.27 20.24 20.57 19.99 20.55 20.15 20.89 20.98 20.86 19.75 21.55 21.33 21.60 21.02 20.63 20.22 21.03 20.61 20.79 21.00 20.59 20.79 19.48 21.04 21.10 18.49 20.81 19.92 20.46 19.78 20.95 21.23 20.79 21.10 21.08 21.08 21.21 2-Phenylacetamide 17.38 15.91 17.24 16.11 17.28 16.90 16.02 17.30 17.22 17.72 16.20 17.39 17.21 18.19 17.04 14.98 15.21 17.01 17.31 17.11 17.59 17.26 17.86 16.04 16.50 16.69 16.15 18.17 16.86 17.62 17.87 16.83 17.68 16.93 17.63 18.00 2-Phenylacetic Acid 16.06 15.95 15.92 15.69 16.04 16.00 16.19 14.23 15.77 15.82 15.95 14.42 16.12 16.00 15.89 16.03 16.21 13.68 14.90 14.16 16.28 16.09 15.90 16.08 16.28 16.57 14.58 14.53 14.44 13.80 15.96 15.32 16.45 14.77 14.10 15.91 15.65 16.43 16.52 15.80 16.68 14.87 3- Or 4-Methylcatechol 12.56 13.14 13.68 12.67 11.68 13.36 13.00 13.06 13.08 3-Indolelactic Acid 13.07 13.87 14.63 15.15 14.33 15.22 14.67 15.86 14.98 15.12 14.39 15.02 14.65 14.49 14.49 14.89 14.68 14.12 14.33 14.40 14.24 15.88 15.23 14.84 15.76 14.39 15.29 15.76 16.25 14.76 14.18 13.86 15.27 14.52 14.78 14.11 15.73 14.59 15.24 14.78 15.09 3-Phenyllactic Acid 16.06 15.06 15.77 16.48 16.06 15.44 15.60 15.38 16.32 15.72 16.23 16.64 15.46 16.57 16.95 16.27 15.44 15.62 17.23 15.71 17.03 16.23 15.89 17.19 4-Hydroxy-3-Methoxybenzoic Acid 16.58 16.59 18.39 15.94 16.37 16.32 16.32 16.95 17.54 15.89 16.49 16.77 16.68 16.88 17.36 16.95 17.20 17.38 17.14 17.06 17.10 15.66 16.80 16.59 17.14 17.36 16.90 17.06 17.93 17.31 17.04 17.49 16.45 16.54 17.15 17.22 16.98 16.78 17.22 16.38 17.36 17.28 15.87 16.26 17.26 17.18 16.22 17.84 16.57 17.72 16.63 17.90 18.04 16.72 15.70 16.10 16.72 15.20 16.26 18.07 17.15 17.61 17.89 18.04 17.43 4-Hydroxybenzaldehyde 14.60 15.16 14.65 14.33 14.87 14.77 15.43 15.94 14.59 4-Hydroxymandelic Acid 17.50 17.08 17.18 17.80 17.75 17.93 17.54 16.95 17.05 18.18 17.97 18.46 18.09 17.59 18.12 18.33 17.79 18.14 18.02 17.79 18.18 18.22 18.27 18.56 18.50 19.01 18.42 18.41 18.86 17.84 18.18 19.37 18.90 18.04 18.74 4-Hydroxyphenylacetic Acid 16.67 16.46 16.84 16.51 16.87 16.64 16.89 15.96 15.96 16.57 16.23 16.35 14.15 14.05 14.39 13.92 14.43 14.67 13.28 16.56 16.73 16.94 17.22 16.72 16.60 13.24 13.73 14.32 16.94 17.03 16.74 16.93 17.30 18.01 14.38 14.67 17.05 16.52 15.73 17.43 17.58 14.02 13.40 14.24 14.80 16.55 16.55 17.09 17.51 16.10 18.09 14.67 13.01 15.18 4-Hydroxypyridine 14.84 14.99 14.53 14.89 14.75 14.14 15.17 14.61 14.00 14.60 13.04 14.84 14.23 14.71 13.85 14.21 14.47 14.67 15.30 13.82 14.43 14.26 14.15 14.49 14.17 15.20 14.74 14.42 14.72 13.76 14.29 13.71 14.62 15.02 14.91 14.87 14.04 15.35 14.71 14.84 14.77 14.76 15.16 12.80 14.78 4-Methyl-5-Thiazoleethanol 17.45 17.12 15.43 15.61 16.14 15.97 15.65 15.95 15.42 16.20 17.48 17.57 17.35 17.68 18.01 16.69 16.27 16.16 16.87 17.21 16.38 17.81 17.70 17.64 18.56 17.75 16.70 17.04 15.61 17.41 16.94 17.40 16.62 17.46 17.28 17.99 17.48 16.69 16.55 17.51 15.49 16.87 16.75 16.51 18.31 17.49 17.93 18.22 17.05 17.39 17.25 17.78 17.33 5-(Hydroxymethyl)Furfural 19.17 18.82 19.16 19.55 18.95 19.28 18.26 17.73 18.49 18.48 17.85 18.46 19.44 19.71 19.41 19.89 19.11 19.61 19.52 19.46 19.56 19.48 19.48 19.77 19.12 18.92 18.85 19.30 18.62 19.41 19.43 19.52 19.77 19.79 19.52 19.14 18.82 18.95 19.11 19.16 19.42 19.55 19.59 19.23 20.06 19.66 19.98 19.67 18.65 19.20 19.60 19.03 19.20 19.79 19.11 19.86 19.79 19.77 18.06 18.30 19.05 19.20 19.94 19.59 19.83 19.83 19.95 20.03 5-Aminovaleric Acid 15.67 16.25 16.62 16.50 16.58 16.12 15.89 15.95 16.54 16.09 16.54 15.80 16.46 16.86 16.20 16.32 16.52 16.41 16.28 16.48 16.75 16.75 5-Hydroxylysine 14.36 14.60 15.47 15.20 14.11 13.38 13.79 14.76 14.29 13.52 12.41 14.99 13.60 13.73 14.57 15.03 13.64 12.95 14.33 14.26 13.93 15.74 12.93 14.22 Adenine 14.08 14.20 15.02 15.14 15.20 15.56 14.78 16.25 15.91 14.56 14.47 15.10 15.98 15.80 14.64 14.90 14.86 15.47 15.95 15.44 15.65 Alanine 22.15 21.76 22.24 21.76 22.08 21.86 22.04 22.33 22.16 22.25 21.92 22.40 22.35 22.62 22.67 22.71 22.13 22.21 22.20 22.11 20.98 22.16 22.03 21.91 22.67 22.12 22.30 21.91 21.89 22.33 21.61 21.89 21.89 21.83 22.17 21.77 22.25 22.30 22.03 22.13 22.02 22.60 22.37 21.72 20.72 22.12 22.10 22.70 22.37 22.38 22.29 22.00 22.43 22.34 21.98 21.72 21.10 20.58 22.10 22.46 21.81 22.26 22.23 22.12 21.65 22.64 21.84 22.10 22.03 21.68 22.07 22.49 Aldopentoses 21.52 20.87 21.64 21.35 21.45 21.33 21.07 19.97 20.29 21.06 20.37 21.61 21.11 21.83 21.60 21.87 21.48 21.79 21.29 20.60 21.10 21.14 20.55 20.98 21.46 21.15 21.52 21.26 21.52 20.98 20.92 20.89 21.03 21.31 21.11 19.88 21.51 21.40 21.08 21.44 21.16 21.80 21.40 21.62 20.63 22.16 21.46 21.57 21.72 21.99 21.34 21.93 21.60 21.90 21.52 20.98 21.33 20.31 20.80 20.66 20.68 21.81 21.83 21.72 21.32 22.30 21.92 21.50 21.68 21.74 21.08 21.17 Alpha Ketoglutaric Acid 20.11 18.56 17.84 20.07 17.74 18.36 19.18 18.98 19.72 20.34 20.43 20.16 18.86 18.00 18.42 17.49 17.41 18.98 18.19 18.60 18.21 18.69 19.54 18.89 19.00 20.58 18.79 17.66 18.38 17.09 18.91 17.88 19.72 18.98 17.06 21.10 20.44 21.53 18.83 17.80 19.79 18.51 17.93 19.49 17.17 19.00 20.01 19.91 17.84 18.31 16.52 19.37 20.08 18.57 19.75 19.20 20.13 20.43 Aminomalonic Acid 21.70 21.51 21.45 21.95 20.73 21.59 20.38 20.47 21.14 21.21 20.00 21.51 21.85 22.15 21.41 22.81 21.90 22.34 21.73 22.18 23.81 22.09 22.57 22.48 21.07 20.02 20.35 20.04 21.29 20.42 21.81 22.03 21.70 21.70 23.08 22.46 21.16 20.71 20.64 20.94 21.55 22.09 22.53 21.65 20.34 22.58 22.96 23.40 22.21 20.61 20.54 22.21 21.69 21.40 22.72 20.73 21.96 20.65 23.16 23.26 20.13 20.80 20.07 20.68 19.68 21.41 22.55 21.68 21.74 21.83 23.04 23.54 Arachidic Acid 18.57 18.97 19.20 18.95 19.63 19.08 19.35 19.26 18.75 19.11 19.21 19.10 19.14 18.78 19.78 19.19 19.29 18.75 19.24 19.41 18.98 19.57 18.88 19.09 18.14 19.61 19.07 19.94 19.88 19.10 18.86 19.63 19.58 20.11 19.93 19.37 19.28 19.03 19.10 19.58 19.92 19.15 18.81 18.97 19.67 19.60 19.64 19.55 19.59 18.71 19.43 19.53 19.39 19.41 17.12 19.66 19.41 19.56 20.42 19.49 17.18 19.46 18.37 19.10 19.59 19.75 19.30 19.51 19.84 20.04 19.76 Asparagine 18.82 18.60 18.29 18.16 17.90 17.82 18.19 18.69 18.39 19.19 18.59 17.70 17.57 17.50 17.85 19.48 17.88 18.60 18.64 17.79 18.83 19.11 19.72 18.44 18.06 18.76 19.78 18.71 18.55 18.57 19.06 19.14 18.14 17.03 17.38 19.43 19.73 18.41 18.96 17.63 18.37 19.53 17.75 17.88 17.81 19.61 19.54 Aspartic Acid 18.93 18.58 19.10 19.24 18.59 18.57 17.48 16.33 16.85 18.07 17.90 17.99 16.73 18.40 17.19 18.39 18.15 17.62 19.23 17.96 17.31 17.91 17.70 16.45 17.65 16.82 17.47 16.11 17.16 17.39 17.46 16.77 18.26 17.52 16.53 16.14 17.29 16.86 17.92 17.45 17.67 17.61 17.91 16.89 17.44 16.95 18.06 16.94 17.58 18.17 17.44 15.77 17.13 18.09 17.37 18.06 17.25 17.75 17.96 Benzene-1,2,4-Triol 17.80 19.17 18.43 17.65 18.29 17.15 17.57 15.71 19.93 19.40 Benzoic Acid 21.37 21.41 21.37 21.54 21.35 21.53 21.14 21.28 21.42 21.02 21.00 21.39 21.25 21.46 21.14 21.54 21.17 21.54 21.36 21.32 21.89 21.41 21.42 21.52 21.31 21.15 21.55 21.25 21.55 21.22 21.10 21.24 21.28 21.44 21.71 21.56 21.40 21.28 21.12 21.04 21.28 21.49 21.21 21.21 21.48 21.60 21.80 21.83 21.45 21.60 20.99 21.40 21.49 21.32 21.42 21.40 21.67 21.46 21.45 21.56 21.31 20.91 21.47 21.09 21.27 21.47 21.60 21.37 21.58 21.48 21.63 21.83 Beta-Alanine 17.00 17.20 17.04 17.18 16.92 17.31 17.14 17.05 15.79 16.89 16.50 17.20 16.87 16.75 16.91 17.49 16.87 17.21 17.11 17.31 16.56 17.40 17.44 17.25 16.99 17.40 17.16 17.26 18.45 17.07 17.27 17.19 17.49 17.74 17.36 17.12 17.70 17.33 17.59 17.62 19.56 16.56 17.22 17.65 18.07 17.06 17.63 17.49 17.41 17.69 17.42 17.62 15.58 17.54 17.05 17.93 17.28 17.73 17.05 17.59 17.69 17.49 17.52 17.90 16.60 Cholesterol 19.90 19.61 19.74 18.67 19.18 19.00 19.24 18.79 19.33 19.24 18.62 19.76 19.75 19.78 19.59 20.00 20.12 20.54 19.43 19.05 18.63 19.71 18.07 19.64 18.98 17.68 18.92 18.78 17.91 18.90 19.31 18.98 19.55 18.53 19.63 18.58 19.93 19.32 19.55 19.38 18.95 20.05 20.05 19.26 19.49 19.93 19.45 19.86 20.72 19.14 18.47 20.49 19.47 20.23 20.48 19.15 20.23 20.30 19.93 19.78 18.65 18.89 19.48 19.12 17.17 19.09 19.47 17.74 19.30 18.63 18.68 19.09 Citramalic Acid 16.43 16.35 16.00 16.43 16.11 16.39 17.57 15.55 16.28 17.03 16.89 16.46 16.56 16.20 16.51 15.70 16.46 16.37 15.85 16.67 16.09 18.27 16.81 16.95 16.49 17.32 15.23 18.41 17.59 17.10 Citric Acid/Isocitric Acid 21.37 20.12 20.29 20.97 21.40 19.83 20.08 20.01 20.45 20.06 21.78 19.88 21.32 21.30 22.04 20.42 19.45 21.73 20.20 20.04 20.10 19.52 19.88 19.42 19.88 19.70 19.63 20.73 20.21 19.49 20.23 19.62 20.83 20.89 20.52 20.93 20.46 20.36 19.96 19.91 21.23 20.47 20.81 20.97 19.87 20.52 20.37 21.35 21.29 Citrulline 16.20 15.82 16.40 16.28 16.61 17.59 14.73 14.37 18.75 17.82 18.15 18.21 17.09 16.30 17.79 18.47 17.58 18.84 18.66 18.37 19.13 19.00 18.51 17.39 17.77 17.79 18.41 18.66 19.16 19.29 19.29 19.45 19.72 20.78 19.86 17.96 18.46 18.40 19.12 20.27 20.75 19.50 17.10 16.51 18.97 20.87 21.14 17.63 16.98 19.31 18.67 20.60 21.28 18.88 18.73 19.19 16.84 21.65 21.30 15.70 18.86 19.06 18.78 19.82 20.40 18.21 19.05 19.45 19.18 22.00 21.91 Decanoic Acid 14.76 15.15 14.90 14.62 13.08 14.27 14.09 13.13 13.52 15.07 14.60 14.80 14.80 15.46 14.92 14.92 14.34 15.26 15.35 14.87 14.89 15.05 13.94 14.61 14.51 14.64 14.46 14.95 13.98 15.01 14.90 14.92 14.60 14.29 15.27 14.26 15.42 14.46 14.97 15.82 15.21 14.20 14.65 14.42 14.38 14.51 15.69 14.57 14.81 14.20 15.94 15.37 13.33 14.32 13.73 14.34 13.61 13.93 14.25 14.92 14.64 14.89 14.52 14.88 15.64 Diethylene Glycol 15.82 16.66 16.38 16.44 15.91 15.14 15.97 15.39 16.17 12.26 15.12 15.06 15.74 12.90 17.68 16.02 16.10 15.61 17.14 13.54 16.79 16.17 16.94 15.97 16.22 15.99 15.68 15.49 16.61 17.38 13.52 16.81 16.68 16.10 16.26 16.48 16.87 17.34 16.28 16.60 15.47 16.18 16.90 16.00 16.16 16.87 17.39 17.37 16.91 Docosanoic Acid 13.36 14.17 14.56 12.95 14.34 13.02 14.59 13.68 14.11 13.86 14.54 13.56 13.50 15.39 14.83 13.42 15.11 13.96 12.43 13.31 13.88 13.00 13.42 13.60 13.32 13.39 14.32 14.25 14.77 16.30 14.10 13.56 12.92 13.72 12.82 12.65 14.27 14.32 13.77 14.02 13.30 14.41 14.20 13.25 14.19 Erythronic Acid 18.61 19.04 18.80 18.59 18.60 18.57 19.36 17.35 17.94 19.08 19.14 19.36 19.44 19.52 19.00 19.64 19.36 19.57 19.35 18.82 19.42 19.74 19.36 19.52 19.12 18.57 19.77 19.20 19.68 19.81 19.71 19.92 22.71 22.78 19.33 19.12 19.62 19.40 19.24 20.20 19.66 19.88 19.56 19.51 18.22 20.05 19.32 19.90 19.36 19.01 20.05 19.78 19.71 19.98 19.94 19.44 20.11 17.91 19.26 19.38 18.08 19.32 19.90 19.50 19.44 19.94 19.83 19.78 20.16 20.08 19.35 19.42 Ethanolamine 17.27 17.86 18.09 17.65 17.82 18.04 18.06 17.75 18.30 17.35 17.96 17.93 18.20 17.82 18.51 18.18 18.07 17.84 18.16 18.31 17.81 17.65 17.66 18.07 18.45 18.62 18.22 18.07 17.61 17.96 18.02 17.98 18.07 18.19 18.16 18.83 18.64 18.44 18.35 18.05 17.18 18.38 17.88 18.37 18.05 18.84 18.63 18.41 18.56 17.58 17.53 18.32 17.69 17.75 18.39 18.23 18.66 18.60 18.09 18.60 Fructose Or Similar Ketohexose 23.05 22.83 22.96 23.36 22.93 23.31 24.30 22.86 23.20 24.01 23.76 24.46 24.42 24.05 24.29 23.73 24.32 23.89 24.71 24.51 23.51 24.73 24.36 23.64 24.21 24.27 23.07 24.20 23.29 24.01 24.55 24.80 24.81 24.86 24.19 24.51 24.34 24.35 23.56 24.27 23.90 24.32 24.64 23.89 23.69 25.00 24.97 25.13 23.86 23.27 24.45 24.70 24.62 24.36 22.49 24.73 24.92 23.83 25.28 24.12 23.28 24.20 23.16 24.15 24.44 24.83 23.86 24.98 22.94 24.91 25.26 25.43 Fumaric Acid 18.08 17.04 18.08 17.41 17.92 17.69 17.18 16.68 17.17 16.54 18.30 18.02 18.64 18.11 18.75 18.29 18.78 17.86 17.39 18.31 17.76 17.53 17.46 17.44 17.11 17.82 17.43 17.12 17.40 17.64 17.40 17.76 17.98 18.06 16.96 17.47 17.06 17.32 17.71 17.37 17.95 17.98 18.06 12.90 18.83 18.32 18.90 17.88 17.97 17.27 18.07 17.38 17.60 18.26 16.89 18.14 15.63 17.79 17.85 16.21 17.34 18.08 17.35 17.08 18.00 18.45 17.75 18.17 18.25 18.21 18.12 Gamma-Hydroxybutyric Acid/Ethylmalonic Acid 14.39 15.17 15.98 14.22 14.67 16.36 15.05 14.15 16.97 14.60 16.23 14.70 14.75 15.86 15.35 16.31 17.06 16.15 16.47 13.90 16.72 16.62 15.49 16.68 16.47 16.25 16.76 16.45 16.63 16.48 16.19 15.14 13.64 16.80 17.00 14.68 16.30 16.56 16.71 13.91 14.50 15.00 15.93 14.71 16.60 16.64 17.07 15.13 16.09 17.20 Gluconic Acid Lactone 28.20 28.15 28.13 28.22 28.30 28.21 28.14 28.60 27.86 28.10 28.28 28.17 28.32 28.17 28.18 28.23 28.09 28.30 28.15 28.20 28.17 28.12 28.20 28.26 28.32 28.16 28.37 28.26 28.11 27.89 28.20 28.36 28.03 28.34 28.20 28.45 28.42 28.19 27.86 28.05 28.31 28.12 28.13 27.83 27.92 28.21 28.35 28.26 28.47 28.40 28.16 28.34 28.17 28.20 28.23 28.21 28.56 28.58 28.20 28.45 28.50 28.23 28.33 28.10 28.15 28.13 28.16 28.27 28.39 28.10 28.36 28.34 Gluconic Acid Or Similar Sugar Acid 18.21 18.33 18.72 18.56 18.07 18.42 18.44 16.82 17.66 17.98 17.78 18.36 18.12 18.55 18.22 18.62 18.08 18.27 18.05 17.86 18.74 18.14 18.21 18.33 18.40 17.79 18.39 18.00 18.52 18.02 17.67 18.69 19.53 18.66 19.37 19.60 18.43 18.47 18.02 17.93 18.27 18.45 18.67 19.01 17.49 19.48 18.78 19.52 18.78 18.43 18.42 18.80 18.67 18.46 19.19 17.23 19.35 16.93 19.47 20.37 17.42 18.00 18.89 18.03 17.40 18.71 19.79 19.06 19.69 20.33 20.78 Glucose And Other Aldohexoses 27.44 27.65 27.69 27.15 27.80 27.53 27.86 27.52 27.55 27.79 27.72 27.73 27.90 27.87 27.80 27.38 27.70 27.68 27.01 27.85 27.66 27.80 27.90 27.79 27.85 27.88 28.00 27.92 27.99 27.51 27.64 28.02 27.95 27.99 27.48 27.16 27.86 27.93 27.47 27.99 27.36 27.91 27.73 27.83 27.67 27.80 27.97 27.91 27.80 27.81 27.88 27.75 28.10 27.65 27.84 28.10 27.19 27.40 28.07 27.85 27.49 28.02 27.97 27.29 28.08 27.95 27.98 27.89 27.90 27.78 27.83 27.88 Glutamic Acid 23.41 22.46 23.61 22.92 23.21 22.98 23.80 22.00 22.53 24.22 23.34 24.22 23.82 24.12 22.98 24.18 24.02 23.88 23.90 23.47 23.45 24.09 23.78 23.56 23.77 23.87 24.00 23.92 24.54 24.44 23.82 23.85 23.78 23.99 24.58 23.73 24.24 24.10 23.96 24.45 24.74 25.29 24.40 23.78 21.90 24.58 24.90 25.36 24.12 24.21 24.06 24.64 24.98 25.06 24.22 23.33 23.89 20.27 24.74 24.78 22.03 24.54 24.39 24.28 24.27 25.41 24.03 23.99 24.09 24.09 25.02 24.82 Glutamine 23.49 22.07 23.88 23.21 23.44 23.81 23.44 21.70 21.27 23.96 23.29 23.76 24.18 23.46 21.21 24.12 23.58 23.83 24.67 24.28 24.72 24.46 24.67 24.14 23.30 22.89 23.54 22.59 24.56 24.12 24.26 23.81 23.32 23.26 25.68 24.79 23.36 22.95 23.14 23.46 25.01 25.12 24.14 22.01 18.81 22.81 25.16 25.34 23.50 23.29 23.35 23.20 25.14 25.23 23.65 22.51 23.57 25.97 25.82 20.66 22.84 23.18 22.33 24.37 24.76 23.45 23.60 23.11 22.75 26.05 25.93 Glyceric Acid 19.56 19.35 19.49 19.41 19.38 19.45 18.77 17.90 18.70 19.06 19.08 19.64 19.44 19.60 19.22 19.56 18.86 19.29 19.11 18.86 19.93 19.14 19.00 19.00 19.05 18.54 19.23 18.58 19.03 18.90 18.69 18.85 18.99 19.30 19.22 18.91 18.85 18.95 18.91 19.15 18.93 19.53 18.89 19.27 18.22 19.63 19.19 19.58 19.12 19.08 18.85 19.19 19.11 19.26 19.41 18.44 19.32 17.84 19.18 19.42 17.87 18.88 19.13 19.10 18.47 19.58 19.52 18.95 19.44 19.38 19.38 19.55 Glycerol 26.02 25.70 25.78 25.39 25.81 25.89 25.73 24.38 24.88 25.64 25.59 25.89 25.40 25.36 24.74 25.50 25.47 25.31 25.59 25.53 24.65 25.62 25.55 25.64 25.59 25.51 25.63 25.33 25.66 25.25 25.04 25.19 25.00 25.08 25.32 24.81 25.87 25.68 25.20 25.32 25.43 25.76 25.63 25.54 24.78 25.97 25.83 25.89 25.80 25.59 25.26 25.58 25.51 25.77 25.45 25.40 25.17 23.97 25.40 25.60 24.91 25.36 25.50 25.31 25.22 25.68 25.70 25.38 25.24 25.07 25.70 25.77 Glycerol 1-Phosphate 15.87 15.58 15.91 15.78 16.76 15.89 16.56 16.00 16.97 15.87 16.29 16.70 16.75 17.91 17.15 17.89 16.69 17.25 17.60 16.61 15.85 16.70 16.26 17.65 17.62 17.92 17.38 16.62 17.10 17.24 16.42 16.99 16.76 16.52 17.93 17.00 18.04 18.64 18.06 18.39 15.63 16.70 17.34 17.08 16.85 18.27 16.86 Glycine 26.49 26.15 26.30 26.44 26.30 26.33 26.07 25.08 25.46 26.23 25.86 26.43 26.26 26.34 25.90 26.66 26.23 26.34 26.23 26.15 26.54 26.38 26.26 26.30 26.31 26.17 26.37 25.96 26.35 26.16 26.03 26.16 25.91 25.93 26.65 25.78 26.41 26.32 25.91 26.20 26.27 26.70 26.45 25.92 24.61 26.51 26.65 26.89 26.37 26.64 26.15 26.31 26.47 26.48 26.29 25.94 26.18 23.69 26.60 26.65 25.13 26.29 26.42 26.06 26.16 26.71 26.53 26.41 26.36 26.09 26.71 26.78 Glycolic Acid 18.84 18.73 18.63 18.58 18.75 18.88 17.38 18.13 19.06 17.92 18.87 17.14 18.89 19.14 18.40 18.87 18.58 18.87 19.14 16.03 18.61 18.26 18.87 18.99 17.73 19.03 18.61 18.92 19.04 19.37 18.59 18.36 18.47 19.23 19.08 19.22 18.84 19.30 19.03 19.30 19.05 18.30 19.05 17.54 19.45 19.22 18.58 19.00 18.70 18.78 19.35 18.84 18.83 18.69 18.86 19.30 19.14 Guanine 17.72 15.30 17.44 18.58 16.49 17.62 15.51 16.47 16.88 16.31 16.82 15.64 15.72 16.37 15.50 16.49 15.31 16.85 17.28 15.52 15.95 16.58 16.73 15.97 16.91 16.82 Heptadecanoic Acid/Octadecanol 19.45 19.31 19.79 19.71 19.51 20.08 18.84 19.52 19.31 18.86 19.16 19.63 19.39 19.73 19.61 19.77 19.47 19.54 19.43 19.44 20.32 19.88 19.81 19.88 19.61 19.14 20.19 19.31 20.16 19.67 19.48 19.79 19.72 19.95 19.89 19.84 19.58 19.44 19.46 19.01 19.66 19.57 19.48 19.59 19.94 20.13 19.93 19.01 19.71 19.97 19.38 19.84 19.75 19.44 19.77 19.63 20.10 20.19 19.39 19.88 19.98 18.78 19.97 19.34 19.67 19.74 19.59 19.33 19.76 20.14 19.48 19.80 Histidine 24.70 24.20 22.84 23.35 25.04 23.59 23.04 23.19 25.55 25.41 24.31 25.03 23.64 23.24 23.53 23.83 24.00 24.56 24.14 24.23 23.27 23.98 23.90 25.27 24.19 24.32 23.25 22.69 23.46 23.93 24.20 24.33 Homocysteine 12.42 12.73 14.12 14.52 13.99 14.59 14.17 15.08 15.94 15.76 14.99 14.50 14.92 14.94 16.42 16.87 14.30 15.92 16.79 Hydroquinone 16.21 17.95 17.59 15.99 17.76 17.15 16.36 17.14 17.72 16.76 17.22 17.07 16.46 17.35 16.74 17.36 17.43 17.70 17.06 16.44 16.36 16.53 16.61 16.81 17.37 16.52 16.88 18.16 17.49 17.90 17.13 16.48 16.88 17.73 17.02 18.03 17.47 17.34 18.77 17.21 17.91 18.13 16.81 17.44 17.44 17.59 18.28 17.91 17.76 16.69 17.16 18.47 17.93 19.09 17.00 16.34 18.17 16.13 16.82 17.00 17.79 16.72 16.98 18.86 16.94 18.72 17.59 16.59 17.03 17.92 17.34 17.22 Hydroxyprolines 16.83 17.27 17.18 17.05 17.11 17.21 17.01 17.26 17.40 17.12 17.58 17.26 18.04 17.48 17.20 17.83 17.43 17.50 17.34 17.01 17.64 17.79 17.26 17.54 17.74 17.88 17.28 17.21 17.28 17.66 18.02 17.09 17.56 17.00 17.66 16.90 17.44 17.18 17.74 17.90 17.94 16.84 17.83 17.46 17.44 17.72 17.08 16.63 18.08 17.55 16.98 18.01 17.74 17.60 17.79 Isoleucine 24.53 24.33 24.60 24.63 24.49 24.55 24.43 23.67 24.05 24.48 23.93 24.51 24.37 24.56 24.99 25.24 24.33 24.99 24.61 24.40 25.30 24.78 24.60 24.75 25.00 24.70 25.08 24.83 25.41 24.94 24.72 25.06 25.15 25.19 25.73 24.89 24.92 24.82 24.84 25.04 25.15 25.41 25.13 25.10 24.03 25.50 25.44 25.63 24.76 25.27 24.88 25.18 25.33 25.11 25.17 24.68 25.25 23.93 25.45 25.61 23.42 24.83 25.10 24.91 24.79 25.39 25.14 25.18 25.51 25.32 25.43 25.60 Isomaltose Or Similar Disaccharide 21.07 20.53 20.46 21.40 20.72 20.96 20.69 18.78 19.39 20.21 19.88 21.22 20.68 21.13 20.72 21.22 20.73 20.97 20.94 20.74 21.39 21.23 20.99 21.05 21.01 20.77 21.16 20.69 21.24 20.32 20.58 20.96 20.85 21.19 21.50 20.52 21.14 20.99 20.26 20.87 20.88 21.06 21.11 20.56 19.38 21.63 21.24 21.49 21.28 21.35 20.77 21.22 21.15 20.24 21.14 20.82 21.14 19.26 21.27 21.46 19.08 20.87 20.95 20.67 20.43 21.27 21.41 21.10 21.36 21.16 21.55 21.53 Lactic Acid 27.75 27.42 25.89 27.47 27.96 27.36 27.80 27.69 26.93 27.58 27.44 26.94 27.01 27.12 27.69 26.37 26.95 27.95 27.46 27.10 26.92 27.44 27.13 27.47 27.27 27.27 27.49 26.90 27.21 27.09 27.70 27.04 26.73 27.13 27.31 27.26 27.30 27.31 26.96 27.09 27.52 26.45 27.22 27.55 28.14 27.27 26.95 27.54 26.87 26.32 27.07 26.94 27.43 26.07 27.29 27.03 27.29 27.09 27.05 27.05 27.48 27.41 27.14 27.17 27.19 26.58 27.36 27.12 26.79 27.42 26.50 26.97 Lactose Or Similar Disaccharide 18.60 18.82 20.52 18.75 18.72 18.81 18.71 16.84 18.40 18.93 17.99 14.70 18.04 18.77 19.76 19.73 17.72 21.22 18.15 16.66 23.42 18.19 18.51 16.76 19.12 18.68 18.91 18.40 18.87 18.77 18.21 18.41 18.56 18.35 17.67 18.85 18.89 14.88 18.79 17.44 16.50 18.59 16.56 17.74 19.21 19.57 16.84 18.53 19.06 18.87 15.46 18.57 17.55 18.10 17.96 18.69 17.99 18.02 19.13 18.66 18.88 17.51 15.36 19.11 19.04 19.20 18.85 17.37 15.33 Lauric Acid 16.27 16.70 17.31 16.90 16.73 16.56 17.17 17.08 17.63 17.60 17.74 17.82 17.65 17.86 17.73 18.37 18.07 18.55 18.05 17.69 17.79 18.03 18.76 18.11 17.73 17.85 18.60 Leucine 24.72 24.41 24.58 24.91 24.43 24.67 24.46 23.36 23.96 24.48 23.94 24.73 24.68 24.70 25.01 25.19 24.23 24.94 24.66 24.50 25.34 24.74 24.81 24.95 25.02 24.63 25.35 24.73 25.27 24.95 24.77 25.02 25.05 25.19 25.60 24.91 24.93 24.78 24.81 25.07 25.13 25.27 25.05 25.09 24.16 25.57 25.32 25.58 24.84 25.23 24.87 25.03 25.37 25.13 25.06 24.72 25.23 23.62 25.43 25.62 23.62 24.82 24.97 24.77 24.72 25.30 25.30 25.14 25.64 25.36 25.45 25.61 Lysine 26.15 25.54 26.01 25.82 25.77 25.88 26.25 24.86 25.12 26.34 26.07 26.29 26.13 26.26 25.65 26.31 26.34 26.10 26.35 26.28 25.98 26.57 26.48 26.29 26.03 26.05 26.13 26.10 26.33 26.60 26.58 26.69 26.69 26.77 26.96 26.46 26.41 25.96 25.82 26.56 26.80 26.98 26.71 26.13 25.14 26.29 27.00 27.05 26.19 25.83 26.63 26.02 26.95 26.96 26.38 26.50 26.28 24.89 27.12 25.18 24.98 26.68 26.18 26.09 26.74 27.05 25.95 26.40 26.55 26.52 25.00 27.25 Maleamic Acid 15.36 20.91 14.98 13.69 12.96 13.48 15.26 Malic Acid 20.60 19.96 20.72 19.85 20.59 20.05 20.42 19.17 19.52 20.57 19.85 21.13 20.39 21.13 20.74 21.37 20.95 21.12 20.63 19.99 20.97 20.46 19.67 20.26 20.48 20.46 20.80 20.34 20.65 20.60 19.76 20.20 20.24 20.46 20.60 19.83 20.68 20.70 20.23 20.40 20.43 20.85 20.18 20.47 18.92 21.31 20.34 21.17 20.70 20.86 20.49 21.04 20.64 20.96 20.74 19.86 20.26 20.36 20.48 19.16 20.59 20.84 20.29 20.23 21.31 20.89 20.30 20.85 20.83 20.79 20.44 Maltose Or Similar Disaccharide 21.21 20.72 20.96 21.25 20.90 20.95 21.02 19.74 20.27 21.20 20.76 21.82 21.23 21.59 21.05 21.73 21.52 21.78 21.42 21.19 21.84 21.49 21.49 21.53 21.17 21.26 21.54 21.10 21.40 21.14 21.12 21.27 21.24 21.54 21.70 21.45 21.23 21.33 21.30 20.46 21.34 21.40 20.83 20.40 22.04 21.86 21.66 21.65 21.77 21.22 21.91 21.62 21.50 21.62 21.39 21.55 20.11 21.60 21.16 20.04 21.36 21.64 21.34 21.14 22.01 21.88 21.51 21.92 21.79 21.12 21.16 Methionine 22.90 22.29 22.40 23.24 22.13 22.79 22.44 20.87 21.55 22.14 21.42 22.95 23.32 23.60 23.54 23.88 23.16 23.64 23.38 23.25 24.21 23.46 23.49 23.57 22.49 21.88 22.81 22.04 22.58 21.64 23.23 23.54 23.55 23.54 23.77 22.94 23.07 22.58 22.19 22.39 22.09 22.26 23.55 23.45 22.31 24.02 23.71 23.78 23.49 22.80 22.23 23.21 22.59 22.04 23.52 23.22 23.69 21.82 23.62 23.84 21.37 22.32 22.52 22.26 20.95 21.83 23.88 23.62 23.74 23.62 23.67 23.85 Methionine Sulfoxide 19.14 18.18 18.77 19.61 18.73 19.19 19.61 17.42 17.31 19.51 19.05 19.44 19.16 19.53 19.55 19.40 20.06 19.86 19.61 19.84 19.18 19.79 19.57 20.35 17.11 19.59 19.61 18.25 20.40 20.65 16.78 16.71 19.50 19.88 19.29 20.55 20.99 17.47 17.88 Myoinositol 25.31 25.26 25.32 25.54 25.19 25.36 25.12 24.09 24.57 25.02 24.84 25.39 25.16 25.36 25.19 25.51 25.02 25.38 25.23 25.11 25.75 25.47 25.34 25.55 25.35 25.10 25.44 25.07 25.54 25.06 25.16 25.27 25.41 25.60 25.76 25.29 25.55 25.37 25.15 25.35 25.38 25.63 25.38 25.41 24.62 25.83 25.68 25.83 25.48 25.48 25.22 25.35 25.10 25.48 25.62 25.05 25.69 24.34 25.58 25.67 24.55 25.08 25.39 25.19 24.92 25.61 25.64 25.47 25.68 25.56 25.74 25.84 N-Acetylleucine 16.87 15.27 16.42 18.17 16.18 16.89 17.20 15.99 15.52 16.28 16.43 16.34 16.37 17.76 15.66 16.87 16.55 16.49 16.09 18.36 16.85 15.85 18.25 16.58 15.65 17.61 16.80 17.49 N-Methylglutamic Acid 19.23 18.79 19.73 20.47 18.23 19.48 18.65 19.16 20.30 19.78 18.56 20.69 21.01 21.22 21.05 22.02 20.86 21.57 21.55 22.09 23.90 21.52 22.61 22.38 19.95 18.44 19.68 18.48 19.73 18.75 21.75 21.56 22.06 22.18 22.26 22.57 20.41 19.40 19.73 19.65 20.19 20.22 22.06 22.37 21.07 22.30 22.12 22.63 22.07 19.08 21.83 19.47 18.15 22.38 20.04 22.43 21.10 22.45 22.64 19.11 19.09 17.57 18.54 22.20 21.70 21.97 22.06 22.45 22.66 N1-Methyltryptamine 14.46 14.43 14.95 15.14 15.55 14.64 14.19 14.53 14.15 14.73 14.80 14.58 14.78 14.74 14.65 14.60 14.68 14.86 15.19 15.21 14.51 14.44 14.99 15.39 14.56 14.63 14.56 14.93 14.95 15.07 15.26 14.52 15.52 14.91 15.51 15.36 14.82 15.44 14.81 14.17 14.06 15.43 15.35 15.67 14.54 14.83 15.16 14.88 15.46 15.64 14.83 15.31 15.09 15.07 14.22 14.30 14.95 14.85 15.36 15.08 15.05 14.89 15.13 15.18 15.37 15.15 Nicotinamide 19.59 19.89 19.59 20.22 19.30 19.96 20.21 19.77 20.20 20.63 20.58 20.52 20.46 20.22 20.44 21.04 20.48 20.49 20.30 20.66 20.89 20.74 20.12 20.63 20.40 20.87 20.18 20.34 20.62 20.40 20.37 21.09 20.09 20.32 20.46 20.40 20.33 20.55 21.15 20.82 20.45 19.25 21.02 21.03 21.31 20.86 20.31 20.29 20.82 20.70 20.83 20.90 20.17 20.31 19.73 20.83 21.15 19.46 19.59 20.38 19.25 21.10 21.09 20.71 19.71 20.61 21.05 21.26 Nonanoic Acid 14.96 16.33 15.37 15.56 14.49 16.00 15.68 15.35 16.08 15.18 15.74 14.83 16.67 16.82 15.66 16.50 16.66 16.65 15.61 16.23 16.90 15.57 16.75 16.09 16.41 16.60 16.32 17.26 15.34 16.04 15.52 15.11 14.96 16.19 15.50 16.60 16.39 15.62 16.08 15.87 14.60 15.56 16.82 16.73 17.16 15.95 17.18 16.54 16.19 17.32 16.71 16.49 16.88 15.82 17.02 16.67 16.92 16.78 16.32 16.64 16.86 15.61 15.41 15.79 15.40 17.29 O-Methylphosphate 11.88 12.85 Ornithine 20.59 20.58 20.35 20.27 19.97 20.31 20.63 18.73 19.40 20.24 19.93 20.51 20.36 20.42 20.74 20.74 19.95 20.70 20.55 20.08 20.66 20.69 20.23 20.51 20.70 20.27 20.95 20.41 20.65 20.28 20.40 20.33 20.63 20.87 20.50 19.93 21.09 20.47 20.25 20.72 20.23 20.60 20.85 20.77 19.63 21.42 20.37 20.72 21.01 20.76 20.47 20.85 20.39 20.20 21.02 20.18 20.94 18.87 20.28 20.58 19.83 20.32 20.94 20.57 19.98 20.63 21.20 20.70 21.30 21.16 20.36 20.69 Pantothenic Acid 22.35 22.01 22.25 22.50 22.15 22.28 22.07 20.93 21.39 22.04 21.70 22.31 22.12 22.42 22.31 22.63 22.10 22.43 22.32 22.14 22.76 22.32 22.30 22.35 22.24 22.07 22.56 22.08 22.62 22.00 22.00 22.23 22.27 22.55 22.81 22.05 22.45 22.33 22.01 22.29 22.35 22.74 22.36 22.27 21.39 22.94 22.70 22.90 22.43 22.48 22.10 22.48 22.53 22.45 22.61 21.99 22.65 20.92 22.63 22.79 21.18 22.17 22.38 22.25 21.90 22.65 22.71 22.35 22.79 22.65 22.87 22.84 Pentitols 16.75 17.00 17.69 17.96 17.17 17.64 17.31 16.63 17.67 17.65 16.75 17.71 17.18 18.30 18.24 18.22 17.88 18.07 17.94 17.17 17.79 18.48 17.61 17.57 17.30 17.23 18.68 18.05 18.50 18.00 18.38 18.17 18.55 19.67 18.63 17.69 17.95 17.70 18.38 17.77 18.45 18.19 18.32 18.35 18.12 18.51 17.98 19.00 17.44 17.72 18.37 18.12 18.52 18.29 18.40 18.07 19.36 18.27 17.60 18.80 17.43 17.92 17.96 18.33 17.92 18.34 18.83 18.04 19.73 19.58 18.11 18.81 Pentonic Acids 16.48 18.48 17.19 17.11 16.72 17.04 17.53 16.14 15.89 17.30 16.80 17.83 17.21 17.67 17.31 17.12 17.64 17.73 17.24 17.64 17.82 17.26 17.69 17.15 17.45 17.89 17.55 18.01 17.60 17.05 17.81 18.22 17.85 17.57 17.47 17.54 17.38 17.69 17.65 17.62 17.92 17.38 18.24 17.10 18.28 17.80 17.27 17.32 17.93 18.04 18.64 18.13 16.51 18.24 18.06 18.39 16.70 17.68 17.64 17.65 17.34 18.41 18.23 17.57 18.26 18.27 Phenyl-Beta-Glucopyranoside 20.54 22.04 22.66 21.02 20.13 20.96 19.16 20.79 21.61 21.60 20.75 21.73 22.36 21.19 21.31 20.83 22.06 21.29 21.59 20.99 22.45 22.23 21.71 21.82 21.75 20.10 22.04 22.13 22.04 21.99 21.87 20.03 21.98 22.64 20.58 22.07 21.19 21.55 23.41 22.19 23.30 22.85 21.61 23.36 23.77 22.06 22.15 21.96 22.65 21.19 21.61 23.00 22.81 22.09 21.68 17.44 23.05 23.75 20.58 20.55 21.35 21.26 21.67 23.41 21.69 22.36 22.04 20.61 21.65 22.69 21.22 21.37 Phenylalanine 24.73 24.03 24.70 24.88 24.45 24.58 24.81 22.99 23.61 25.02 24.36 25.16 25.01 25.00 24.44 25.36 25.06 24.96 25.30 25.11 25.13 25.57 25.43 25.37 24.92 24.83 25.09 24.74 25.65 25.08 25.33 25.49 25.42 25.17 26.20 25.44 25.20 25.03 24.84 25.26 25.62 26.08 25.57 25.28 23.82 25.73 26.13 26.38 25.07 25.10 24.98 25.31 25.88 25.79 25.45 25.07 25.51 23.34 26.26 26.34 23.20 25.11 25.17 24.90 24.92 26.04 25.41 25.58 25.80 25.62 26.45 26.45 Phenylpyruvate 14.41 15.42 16.53 15.55 16.26 16.77 16.97 16.07 15.35 16.07 16.17 16.65 15.51 16.21 17.40 16.92 16.48 17.31 16.89 15.46 16.41 15.55 16.69 14.56 15.28 15.87 Phosphoric Acid 21.84 22.10 21.85 21.57 21.11 20.78 23.97 22.42 22.58 21.70 21.19 22.04 21.35 21.27 20.59 21.50 21.90 21.19 20.96 22.09 24.21 23.23 21.95 21.10 22.30 21.21 21.28 21.90 23.88 22.51 21.85 23.78 22.19 21.97 24.52 21.09 21.40 21.53 23.60 22.45 22.53 22.52 21.06 20.94 20.80 20.97 21.35 22.14 21.42 21.77 21.91 22.23 21.67 21.85 21.85 20.30 20.73 20.04 20.88 21.98 22.20 21.44 21.48 23.36 22.55 22.94 22.27 21.77 20.23 21.03 20.95 20.69 Proline 20.76 20.48 20.40 20.66 20.15 20.43 20.46 16.85 18.08 20.45 19.69 20.91 20.10 20.15 19.14 20.31 20.48 19.66 20.40 19.96 20.86 20.37 20.12 20.20 19.58 19.62 20.14 19.35 19.68 19.27 19.41 19.28 19.52 19.73 19.75 18.70 20.25 20.02 18.99 19.69 19.45 20.38 19.82 19.67 20.53 19.94 20.38 20.30 19.37 19.37 19.79 19.75 20.55 20.13 19.42 20.02 19.87 20.10 18.29 19.70 19.53 19.57 19.32 20.60 20.87 19.81 20.21 20.21 20.45 20.51 Pseudouridine 17.36 17.22 17.83 18.84 18.11 18.92 17.55 17.40 17.70 17.09 16.41 18.99 16.57 17.94 17.66 18.51 16.85 17.76 18.67 18.98 16.78 15.68 17.99 17.48 Putrescine 15.12 15.20 14.81 14.98 14.86 14.45 15.00 13.16 13.59 15.16 14.23 15.38 15.16 15.49 15.27 15.42 15.00 15.35 15.33 14.71 15.62 15.22 14.93 14.72 15.12 14.89 15.25 14.82 14.94 14.50 14.97 14.89 15.37 15.39 15.05 14.08 15.38 15.15 14.67 15.27 15.06 15.01 15.18 15.15 14.10 15.77 15.19 15.57 15.33 15.69 14.90 15.48 15.23 15.36 15.69 14.95 15.21 13.67 14.82 15.37 14.01 15.27 15.69 15.29 15.08 15.61 15.79 15.41 15.59 15.54 15.32 15.29 Pyridine-2,6-Dicarboxylic Acid 14.69 16.37 17.04 16.59 16.74 16.38 16.86 15.73 16.16 17.07 17.05 17.80 16.91 17.34 16.42 17.23 17.02 15.81 16.08 17.18 16.87 16.67 16.66 16.84 17.07 17.35 17.75 16.74 16.88 15.92 16.63 16.76 17.24 16.21 16.95 17.08 17.82 16.79 17.69 15.67 17.22 16.40 16.64 17.19 17.70 16.94 15.16 16.34 15.83 15.92 17.40 17.29 17.30 17.14 16.78 17.43 17.33 17.56 Pyridoxine 16.98 19.07 20.42 21.22 21.20 20.78 20.64 16.88 21.58 21.32 20.34 18.44 19.02 20.82 21.09 20.23 19.65 22.69 17.73 20.71 20.98 Pyruvic Acid 22.23 20.88 21.27 22.09 21.41 21.48 21.24 19.28 20.11 21.77 20.84 21.48 22.44 21.46 23.82 23.49 22.21 22.55 21.99 22.15 21.92 21.57 22.96 21.32 21.37 20.96 20.99 21.38 21.72 21.64 20.17 20.45 20.26 20.81 21.14 23.23 21.40 21.49 20.74 21.83 22.39 21.05 21.08 21.33 22.03 23.50 20.41 20.51 20.07 21.48 21.23 23.24 21.77 21.31 20.15 23.09 20.63 22.79 22.45 22.47 19.42 21.97 21.79 21.14 22.46 21.67 23.17 23.03 20.79 20.40 23.48 22.67 Serine 25.71 25.62 25.59 25.84 25.57 25.63 25.28 24.34 24.97 25.42 25.05 25.78 25.72 25.84 25.55 26.15 25.38 25.95 25.56 25.36 26.08 25.70 25.81 25.76 25.80 25.36 25.90 25.05 25.81 25.20 25.21 25.59 25.30 25.38 26.07 25.11 25.64 25.62 25.24 25.38 25.55 26.11 25.71 25.36 23.78 25.96 25.94 26.14 25.81 25.97 25.27 25.63 25.79 25.77 25.86 25.18 25.63 22.29 25.98 26.10 24.38 25.52 25.70 25.21 25.15 25.97 25.82 25.67 25.61 25.34 26.15 26.32 Spermidine 14.24 13.92 13.86 14.51 14.62 13.59 14.64 14.14 14.65 Stearic Acid 25.44 25.52 25.65 25.80 25.59 25.99 25.20 25.71 25.48 25.20 25.41 25.59 25.32 25.76 25.70 25.92 25.57 25.74 25.64 25.54 26.18 25.65 25.64 25.66 25.58 25.17 26.02 25.55 26.08 25.94 25.39 25.50 25.84 25.91 25.91 26.04 25.70 25.65 25.67 25.29 25.91 25.88 25.47 25.74 25.96 26.00 26.14 26.14 25.71 26.07 25.40 25.86 26.16 25.77 25.82 25.81 26.12 26.32 26.05 26.24 26.04 25.08 25.98 25.58 25.81 26.02 25.88 25.51 26.06 26.02 26.23 25.97 Succinic Acid 22.05 21.64 22.21 21.70 22.15 22.04 21.81 20.80 21.22 21.78 21.48 22.33 21.63 21.82 21.67 22.41 21.77 22.18 21.53 21.19 22.03 21.72 21.32 21.52 22.04 21.68 22.04 21.83 22.11 21.91 21.43 21.54 21.39 21.57 21.90 21.17 22.09 21.74 21.80 22.18 21.95 22.57 21.46 21.54 20.49 22.20 21.91 22.38 21.59 22.59 21.90 22.01 22.25 22.30 21.88 21.09 21.91 20.91 21.72 21.72 21.11 21.74 22.61 22.11 21.63 22.78 22.13 21.48 22.10 22.00 21.95 22.04 Sucrose And Similar Disaccharides 17.95 17.08 18.34 18.33 18.25 15.70 15.72 18.04 18.33 16.60 16.48 20.36 15.76 16.50 17.76 18.18 15.59 17.79 16.38 18.79 16.40 19.36 17.55 17.16 18.46 17.91 18.15 17.32 17.56 16.45 17.36 18.87 17.39 17.62 16.68 17.48 17.95 19.59 19.23 18.83 18.86 19.03 19.97 16.91 18.70 19.45 19.08 19.17 20.03 18.29 20.14 20.06 19.75 18.91 18.71 19.46 19.13 19.57 20.76 15.68 19.10 18.33 17.39 19.09 19.11 17.65 18.05 17.67 16.09 19.52 19.06 Tartaric Acid 13.81 14.90 14.63 14.92 15.08 15.02 15.34 15.36 13.92 14.63 14.81 14.06 15.27 15.18 15.47 15.12 15.48 15.00 14.98 15.59 15.57 15.96 Tetradecanedioic Acid 13.02 13.44 12.58 14.24 15.87 14.35 14.05 13.79 Threitol/Erythritol 20.20 19.66 20.40 20.36 20.25 20.32 19.79 18.70 19.75 20.04 19.59 20.31 20.49 20.50 20.49 20.92 20.29 20.80 20.43 20.00 20.87 20.51 20.19 20.27 20.12 19.87 20.44 20.13 20.44 20.38 20.46 20.25 20.63 20.73 20.73 20.28 20.31 20.00 20.09 20.40 20.19 20.85 20.35 20.14 19.76 20.86 20.50 20.98 20.19 20.05 20.15 20.56 20.30 20.63 20.77 20.05 20.84 19.85 20.58 20.67 19.52 19.99 20.44 20.36 19.93 20.86 21.00 20.38 20.99 20.85 20.73 20.72 Threonic Acid 18.74 18.30 19.12 18.09 18.78 18.80 18.51 17.06 18.01 18.51 18.26 18.70 18.86 18.80 18.60 19.15 19.17 19.18 18.96 18.55 19.46 19.24 18.93 18.83 18.14 19.11 18.53 19.40 19.45 18.97 19.45 19.62 20.31 19.34 18.49 18.94 19.28 19.74 20.20 18.99 18.70 20.09 20.42 18.64 18.36 18.91 19.20 19.54 19.61 19.22 19.32 20.08 20.33 17.99 18.94 18.85 20.02 19.45 20.41 19.80 Threonine 25.93 25.83 25.94 26.16 25.86 25.81 25.82 25.15 25.62 25.77 25.54 26.01 25.97 26.01 26.39 26.52 25.89 26.21 25.97 25.92 26.49 26.22 26.29 26.25 26.19 26.02 26.54 26.12 26.77 26.31 26.09 26.46 26.43 26.45 27.06 26.16 26.28 26.21 26.19 26.28 26.58 26.90 26.50 26.40 25.09 26.85 26.84 27.01 26.25 26.66 26.27 26.57 26.76 26.61 26.46 26.14 26.63 23.93 26.71 26.91 25.39 26.16 26.56 26.31 26.24 26.84 26.55 26.54 26.66 26.52 26.80 27.03 Threose/Erythrose 14.10 16.57 16.22 15.63 15.15 14.79 14.52 13.96 14.87 15.03 15.44 15.93 17.46 15.74 15.50 16.55 15.84 15.53 16.11 15.72 15.90 15.96 15.77 14.53 14.79 14.85 13.24 16.05 15.81 15.75 16.32 15.84 16.71 15.74 14.53 15.79 13.98 15.68 15.24 15.66 17.90 16.12 16.27 15.79 16.08 16.49 14.68 16.17 15.90 15.66 16.30 15.52 16.30 16.76 16.22 16.42 14.01 14.94 14.55 15.75 16.36 16.09 16.26 16.32 16.40 Trisaccharide 18.16 17.91 18.52 17.50 18.45 18.26 18.50 16.89 17.46 18.62 18.28 19.70 18.58 19.35 18.59 19.42 19.16 19.62 18.52 18.07 18.89 18.73 18.27 18.76 18.04 18.57 18.84 18.57 18.17 18.36 18.21 17.80 18.44 18.49 18.59 16.94 19.03 18.81 18.48 17.43 18.54 19.40 18.76 18.34 16.72 19.15 19.68 19.50 18.75 19.60 18.76 18.92 19.01 18.04 18.35 18.39 18.53 17.74 19.01 19.36 18.68 18.21 19.60 19.19 18.32 19.00 19.00 19.07 18.96 Tryptophan 22.68 22.34 23.17 23.01 23.23 23.18 23.39 19.64 20.53 23.49 22.83 23.69 23.35 22.83 21.49 23.85 23.67 23.58 23.36 23.37 23.44 23.85 23.81 23.78 22.99 22.38 22.96 22.91 23.86 23.42 23.27 23.60 23.13 23.44 24.84 23.89 23.25 23.06 23.05 23.08 23.68 24.59 23.74 21.25 19.26 23.91 24.64 25.02 22.90 22.58 22.92 23.61 24.27 24.27 23.77 21.76 23.50 24.78 25.01 19.05 22.90 22.82 23.05 23.14 24.47 23.35 22.88 23.64 23.48 24.96 25.05 Tyrosine 25.62 24.97 25.49 25.86 25.36 25.54 25.86 24.33 24.57 26.13 25.54 25.99 25.90 25.87 25.35 25.96 25.97 25.89 26.11 25.92 26.24 26.44 26.29 26.14 25.69 25.79 25.89 25.86 26.40 26.15 26.28 26.27 26.37 26.48 26.79 26.19 26.00 26.08 25.94 26.44 26.51 26.74 26.36 25.90 24.72 26.37 26.79 27.01 25.82 25.80 26.22 26.22 26.75 26.77 26.39 26.10 26.24 24.45 26.97 26.84 24.45 26.28 26.07 26.15 26.35 26.81 26.01 26.26 26.44 26.28 26.87 26.77 Uracil 16.85 16.92 17.09 16.99 16.89 16.79 13.61 15.71 15.11 14.36 15.95 15.81 15.94 15.62 16.84 15.59 16.41 15.65 15.29 17.44 15.70 15.80 15.11 15.41 13.73 14.84 15.07 14.85 14.98 14.88 15.23 15.49 14.57 13.14 14.81 14.30 14.68 14.78 16.06 15.40 13.72 15.67 15.58 16.41 15.47 14.77 15.49 15.28 15.51 15.52 15.44 15.67 15.01 13.69 15.60 16.06 15.22 15.70 15.32 16.15 Urea 21.40 21.00 21.86 21.64 21.39 21.64 21.03 19.81 20.59 21.52 20.88 21.61 21.69 21.80 21.10 22.01 21.62 22.10 21.70 21.50 22.12 21.89 21.89 21.67 21.32 20.93 21.47 21.29 21.81 21.53 21.69 21.55 21.69 21.86 22.10 21.80 21.46 21.11 21.51 21.42 21.88 22.42 21.60 20.74 20.11 21.62 21.88 22.40 21.39 21.29 21.34 21.63 21.87 22.15 21.96 21.22 22.08 19.57 22.13 22.17 20.18 20.87 21.50 21.51 21.19 22.14 22.08 21.69 22.03 21.83 22.14 22.29 Uric Acid 16.92 16.87 17.44 14.06 15.56 14.95 14.30 14.03 Valine 25.22 24.00 25.02 25.38 23.54 24.96 24.76 23.79 24.23 24.94 24.30 24.34 24.48 23.82 24.37 24.22 24.28 23.91 24.57 24.21 25.38 24.85 24.27 23.85 23.71 24.70 24.10 23.80 24.44 24.13 24.45 23.75 24.28 24.78 24.60 24.33 23.70 24.70 24.47 24.01 24.14 24.10 23.74 23.71 23.25 23.81 24.52 24.60 23.88 23.70 24.34 24.66 24.33 24.38 24.51 24.88 24.43 23.12 24.85 24.78 23.23 24.08 24.00 23.92 24.42 24.20 24.26 24.38 24.93 24.84 24.37 24.25 Willardiine 13.37 12.60 13.91 13.58 14.30 13.61 13.43 14.18 14.24 12.82 15.39 15.14 14.87 15.47 12.56 14.13 14.28 12.85 14.14 13.59 13.55 13.78 14.42 14.38 Xanthine 16.54 16.37 16.90 14.83 15.88 18.39 15.99 16.80 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID CAS 5,6-Dihydrouracil 504-07-4 1-Dodecanol 112-53-8 1,2-Propanediol 57-55-6 1,3-Dihydroxyacetone 96-26-4 2-Amino-2-Methyl-1,3-Propanediol 115-69-5 2-Ethylhexanoic Acid 149-57-5 2-Hydroxy-3-Methylvaleric Acid 488-15-3 2-Hydroxybutyric Acid 565-70-8 2-Hydroxyglutaric Acid 13095-48-2 2-Isopropylmalic Acid 16048-89-8 2-Ketoleucine/Ketoisoleucine 816-66-0 2-Ketovaline 759-05-7 2-Phenylacetamide 103-81-1 2-Phenylacetic Acid 103-82-2 3- Or 4-Methylcatechol 452-86-8 3-Indolelactic Acid 1821-52-9 3-Phenyllactic Acid 828-01-3 4-Hydroxy-3-Methoxybenzoic Acid 121-34-6 4-Hydroxybenzaldehyde 123-08-0 4-Hydroxymandelic Acid 7198-10-9 4-Hydroxyphenylacetic Acid 156-38-7 4-Hydroxypyridine 626-64-2 4-Methyl-5-Thiazoleethanol 137-00-8 5-(Hydroxymethyl)Furfural 67-47-0 5-Aminovaleric Acid 660-88-8 5-Hydroxylysine 1190-94-9 Adenine 73-24-5 Alanine 56-41-7 Aldopentoses 147-81-9 Alpha Ketoglutaric Acid 328-50-7 Aminomalonic Acid 1068-84-4 Arachidic Acid 506-30-9 Asparagine 70-47-3 Aspartic Acid 56-84-8 Benzene-1,2,4-Triol 533-73-3 Benzoic Acid 65-85-0 Beta-Alanine 107-95-9 Cholesterol 57-88-5 Citramalic Acid 6263-10-8 Citric Acid/Isocitric Acid 5949-29-1 Citrulline 372-75-8 Decanoic Acid 334-48-5 Diethylene Glycol 111-46-6 Docosanoic Acid 112-85-6 Erythronic Acid 13752-84-6 Ethanolamine 141-43-5 Fructose Or Similar Ketohexose 57-48-7 Fumaric Acid 110-17-8 Gamma-Hydroxybutyric Acid/Ethylmalonic Acid 502-85-2 Gluconic Acid Lactone 90-80-2 Gluconic Acid Or Similar Sugar Acid 526-95-4 Glucose And Other Aldohexoses 50-99-7 Glutamic Acid 56-86-0 Glutamine 56-85-9 Glyceric Acid 473-81-4 Glycerol 56-81-5 Glycerol 1-Phosphate 34363-28-5 Glycine 56-40-6 Glycolic Acid 79-14-1 Guanine 73-40-5 Heptadecanoic Acid/Octadecanol 506-12-7 Histidine 5934-29-2 Homocysteine 6027-13-0 Hydroquinone 123-31-9 Hydroxyprolines 51-35-4 Isoleucine 443-79-8 Isomaltose Or Similar Disaccharide 499-40-1 Lactic Acid 79-33-4 Lactose Or Similar Disaccharide 63-42-3 Lauric Acid 143-07-7 Leucine 61-90-5 Lysine 56-87-1 Maleamic Acid 557-24-4 Malic Acid 617-48-1 Maltose Or Similar Disaccharide 69-79-4 Methionine 63-68-3 Methionine Sulfoxide 3226-65-1 Myoinositol 87-89-8 N-Acetylleucine 1188-21-2 N-Methylglutamic Acid 6753-62-4 N1-Methyltryptamine 7518-21-0 Nicotinamide 98-92-0 Nonanoic Acid 112-05-0 O-Methylphosphate 812-00-0 Ornithine 70-26-8 Pantothenic Acid 137-08-6 Pentitols 488-82-4 Pentonic Acids 17812-24-7 Phenyl-Beta-Glucopyranoside 1464-44-4 Phenylalanine 156-06-9 Phenylpyruvate 7664-38-2 Phosphoric Acid 147-85-3 Proline 552-59-0 Pseudouridine 1445-07-4 Putrescine 110-60-1 Pyridine-2,6-Dicarboxylic Acid 499-83-2 Pyridoxine 65-23-6 Pyruvic Acid 127-17-3 Serine 56-45-1 Spermidine 124-20-9 Stearic Acid 57-11-4 Succinic Acid 110-15-6 Sucrose And Similar Disaccharides 57-50-1 Tartaric Acid 133-37-9 Tetradecanedioic Acid 821-38-5 Threitol/Erythritol 6968-16-7 Threonic Acid 3909-12-4 Threonine 72-19-5 Threose/Erythrose 95-43-2 Trisaccharide 1109-28-0 Tryptophan 73-22-3 Tyrosine 60-18-4 Uracil 66-22-8 Urea 57-13-6 Uric Acid 69-93-2 Valine 72-18-4 Willardiine 113573-73-2 Xanthine 69-89-6 METABOLITES_END #END