{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000431","ANALYSIS_ID":"AN000681","VERSION":"1","CREATED_ON":"July 29, 2016, 11:14 am"},

"PROJECT":{"PROJECT_TITLE":"C2C12 stretch cessation models muscle atrophy and anaplerotic changes in metabolism","PROJECT_TYPE":"GC-MS non targeted qualitative analysis","PROJECT_SUMMARY":"Studies of skeletal muscle disuse either in patients on bed rest or experimentally in animals(immobilization) have demonstrated that decreased protein synthesis is common, with transient parallel increases in protein degradation. Muscle disuse atrophy involves a process of transition from slow to fast myosin fiber types 6 . A shift toward glycolysis, decreased capacity for fat oxidation, and substrate accumulation in atrophied muscles have been reported as has accommodation of the liver with an increased gluconeogenic capacity. Recent studies have modeled skeletal muscle disuse by using cyclic stretch of differentiated myotubes (C2C12), which mimics the loading pattern of mature skeletal muscle, followed by cessation of stretch.We utilized this model to determine the metabolic changes using non-targeted metabolomics analysis of the media. We identified increases in amino acids resulting from protein degradation (largely sarcomere) that occurs with muscle atrophy that are involved in feeding the Kreb’s cycle through anaplerosis. Specifically, we identified increased alanine/proline metabolism (significantly elevated proline, alanine, glutamine, and asparagine) and increased -ketoglutaric acid, the proposed Kreb’s cycle intermediate being fed by the alanine/proline metabolic anaplerotic mechanism. Additionally, several unique pathways not clearly delineated in previous studies of muscle unloading were seen, including: 1) elevated ethanolamine and elevated keto-acids (e.g. 2-ketoleucine and 2-keovaline) represent intermediates in the Ehlrich amino acid degradation pathway, which feeds into a metabolic pathway supplying acetyl-CoA and 2-hydroxybutyrate (also significantly increased); and 2) elevated guanine, an intermediate of purine metabolism, was seen at 12 hours unloading. Given the interest in targeting different aspects of the ubiquitin proteasome system to inhibit protein degradation, this C2C12 system may allow the identification of direct and indirect alterations in metabolism due to anaplerosis or through other yet to be identified mechanisms using a non-targeted metabolomics approach.","INSTITUTE":"University of North Carolina","DEPARTMENT":"McAllister heart Institute, Department of Internal medicine","LABORATORY":"Multiple Centers","LAST_NAME":"Ilaiwy, Willis","FIRST_NAME":"Amro, Monte","ADDRESS":"111 Mason Farm road, Chapel Hill, North Carolina, 27599-7126, USA","EMAIL":"amroilaiwy@gmail.com, monte_willis@med.unc.edu","PHONE":"210-596-0171","FUNDING_SOURCE":"NIH, Fondation Leducq"},

"STUDY":{"STUDY_TITLE":"C2C12 stretch cessation models muscle atrophy and anaplerotic changes in metabolism","STUDY_TYPE":"GC-MS non-targeted metabolomic profiling","STUDY_SUMMARY":"Studies of skeletal muscle disuse either in patients on bed rest or experimentally in animals(immobilization) have demonstrated that decreased protein synthesis is common, with transient parallel increases in protein degradation. Muscle disuse atrophy involves a process of transition from slow to fast myosin fiber types 6 . A shift toward glycolysis, decreased capacity for fat oxidation, and substrate accumulation in atrophied muscles have been reported as has accommodation of the liver with an increased gluconeogenic capacity. Recent studies have modeled skeletal muscle disuse by using cyclic stretch of differentiated myotubes (C2C12), which mimics the loading pattern of mature skeletal muscle, followed by cessation of stretch.We utilized this model to determine the metabolic changes using non-targeted metabolomics analysis of the media. We identified increases in amino acids resulting from protein degradation (largely sarcomere) that occurs with muscle atrophy that are involved in feeding the Kreb’s cycle through anaplerosis. Specifically, we identified increased alanine/proline metabolism (significantly elevated proline, alanine, glutamine, and asparagine) and increased -ketoglutaric acid, the proposed Kreb’s cycle intermediate being fed by the alanine/proline metabolic anaplerotic mechanism. Additionally, several unique pathways not clearly delineated in previous studies of muscle unloading were seen, including: 1) elevated ethanolamine and elevated keto-acids (e.g. 2-ketoleucine and 2-keovaline) represent intermediates in the Ehlrich amino acid degradation pathway, which feeds into a metabolic pathway supplying acetyl-CoA and 2-hydroxybutyrate (also significantly increased); and 2) elevated guanine, an intermediate of purine metabolism, was seen at 12 hours unloading. Given the interest in targeting different aspects of the ubiquitin proteasome system to inhibit protein degradation, this C2C12 system may allow the identification of direct and indirect alterations in metabolism due to anaplerosis or through other yet to be identified mechanisms using a non-targeted metabolomics approach.","INSTITUTE":"University of North Carolina","DEPARTMENT":"McAllister Heart Institute","LABORATORY":"Mutliple Centers","LAST_NAME":"Ilaiwy, WIllis","FIRST_NAME":"Amro, Monte","ADDRESS":"111 Mason Farm road, Chapel Hill, North Carolina, 27599-7126, USA","EMAIL":"amroilaiwy@gmail.com, monte_willis@med.unc.edu","PHONE":"919-3607599"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"p0 #1",
"Factors":{"Group":"6 hour stretch"}
},
{
"Subject ID":"-",
"Sample ID":"p0 #2",
"Factors":{"Group":"6 hour stretch"}
},
{
"Subject ID":"-",
"Sample ID":"p0 #3",
"Factors":{"Group":"6 hour stretch"}
},
{
"Subject ID":"-",
"Sample ID":"p1 #1",
"Factors":{"Group":"1 hour reversal"}
},
{
"Subject ID":"-",
"Sample ID":"p1 #2",
"Factors":{"Group":"1 hour reversal"}
},
{
"Subject ID":"-",
"Sample ID":"p1 #3",
"Factors":{"Group":"1 hour reversal"}
},
{
"Subject ID":"-",
"Sample ID":"p3 #1",
"Factors":{"Group":"3 hour reversal"}
},
{
"Subject ID":"-",
"Sample ID":"p3 #2",
"Factors":{"Group":"3 hour reversal"}
},
{
"Subject ID":"-",
"Sample ID":"p3 #3",
"Factors":{"Group":"3 hour reversal"}
},
{
"Subject ID":"-",
"Sample ID":"p6 #1",
"Factors":{"Group":"6 hour reversal"}
},
{
"Subject ID":"-",
"Sample ID":"p6 #2",
"Factors":{"Group":"6 hour reversal"}
},
{
"Subject ID":"-",
"Sample ID":"p6 #3",
"Factors":{"Group":"6 hour reversal"}
},
{
"Subject ID":"-",
"Sample ID":"p12 #1",
"Factors":{"Group":"12 hour reversal"}
},
{
"Subject ID":"-",
"Sample ID":"p12 #2",
"Factors":{"Group":"12 hour reversal"}
},
{
"Subject ID":"-",
"Sample ID":"p12 #3",
"Factors":{"Group":"12 hour reversal"}
},
{
"Subject ID":"-",
"Sample ID":"p0 no stretch #1",
"Factors":{"Group":"no stretch-serum free"}
},
{
"Subject ID":"-",
"Sample ID":"p1 no stretch #1",
"Factors":{"Group":"no stretch-serum free"}
},
{
"Subject ID":"-",
"Sample ID":"p3 no stretch #1",
"Factors":{"Group":"no stretch-serum free"}
},
{
"Subject ID":"-",
"Sample ID":"p6 no stretch #1",
"Factors":{"Group":"no stretch-serum free"}
},
{
"Subject ID":"-",
"Sample ID":"serum 6hr no stretch #1",
"Factors":{"Group":"serum-no stretch"}
},
{
"Subject ID":"-",
"Sample ID":"serum 6hr no stretch #2",
"Factors":{"Group":"serum-no stretch"}
},
{
"Subject ID":"-",
"Sample ID":"serum 6hr no stretch #3",
"Factors":{"Group":"serum-no stretch"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Media was collected from all different 6 wells, and stored in -80 C"},

"TREATMENT":{"TREATMENT_SUMMARY":"N/A"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"N/A"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"GC/MS methods follow previous studies using a 6890 N GC connected to a 5975 Inert single quadrupole MS (Agilent Technologies, Santa Clara, CA) (Bonikos et al. 1975; Fiehn 2008; Kind et al. 2009). The two wall-coated, open-tubular GC columns connected in series are both from J&W/Agilent (part 122–5512), DB5-MS, 15 meters in length, 0.25 mm in diameter, with an 0.25-l m luminal film. Positive ions generated with conventional electron-ionization at 70 eV are scanned broadly from 600 to 50 m/z in the detector throughout the 45 min cycle time.","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 6890N","COLUMN_NAME":"Agilent DB5-MS (15m × 0.25mm, 0.25um)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 5975","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"EI","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
"Units":"Peak values (Log transformed)",

"Data":[{"Metabolite":"Glyoxylic acid","p0 #1":"13.08","p0 #2":"12.66","p0 #3":"13.58","p1 #1":"","p1 #2":"13.08","p1 #3":"12.94","p3 #1":"","p3 #2":"13.08","p3 #3":"13.34","p6 #1":"12.85","p6 #2":"","p6 #3":"","p12 #1":"","p12 #2":"","p12 #3":"","p0 no stretch #1":"","p1 no stretch #1":"","p3 no stretch #1":"","p6 no stretch #1":"","serum 6hr no stretch #1":"12.8","serum 6hr no stretch #2":"12.96","serum 6hr no stretch #3":"13"},{"Metabolite":"C10 hydrocarbon","p0 #1":"13.29","p0 #2":"13.57","p0 #3":"14.07","p1 #1":"14.87","p1 #2":"13.76","p1 #3":"14.93","p3 #1":"15.02","p3 #2":"14.7","p3 #3":"14.88","p6 #1":"15.27","p6 #2":"13.54","p6 #3":"14.63","p12 #1":"14.66","p12 #2":"14.87","p12 #3":"14.84","p0 no stretch #1":"14.65","p1 no stretch #1":"14.82","p3 no stretch #1":"14.87","p6 no stretch #1":"15.29","serum 6hr no stretch #1":"15.04","serum 6hr no stretch #2":"14.73","serum 6hr no stretch #3":"13.38"},{"Metabolite":"epsilon-Caprolactam","p0 #1":"","p0 #2":"12.61","p0 #3":"13.15","p1 #1":"12.46","p1 #2":"11.74","p1 #3":"14.34","p3 #1":"12.04","p3 #2":"13.88","p3 #3":"13.41","p6 #1":"12.73","p6 #2":"13.09","p6 #3":"","p12 #1":"14.41","p12 #2":"13.84","p12 #3":"14.46","p0 no stretch #1":"14.31","p1 no stretch #1":"13.46","p3 no stretch #1":"14.07","p6 no stretch #1":"11.24","serum 6hr no stretch #1":"14.7","serum 6hr no stretch #2":"14.37","serum 6hr no stretch #3":"13.09"},{"Metabolite":"2-Hydroxypyridine","p0 #1":"12.14","p0 #2":"","p0 #3":"","p1 #1":"","p1 #2":"12.27","p1 #3":"","p3 #1":"11.48","p3 #2":"","p3 #3":"","p6 #1":"14.04","p6 #2":"","p6 #3":"11.86","p12 #1":"","p12 #2":"","p12 #3":"14.38","p0 no stretch #1":"","p1 no stretch #1":"","p3 no stretch #1":"","p6 no stretch #1":"11.37","serum 6hr no stretch #1":"","serum 6hr no stretch #2":"12.73","serum 6hr no stretch #3":""},{"Metabolite":"Pyruvic acid","p0 #1":"22.39","p0 #2":"22.32","p0 #3":"22.99","p1 #1":"22.5","p1 #2":"22.36","p1 #3":"22.7","p3 #1":"22.44","p3 #2":"22.41","p3 #3":"22.54","p6 #1":"22.28","p6 #2":"22.43","p6 #3":"22.57","p12 #1":"21.9","p12 #2":"21.93","p12 #3":"21.81","p0 no stretch #1":"22.35","p1 no stretch #1":"22.8","p3 no stretch #1":"22.22","p6 no stretch #1":"21.68","serum 6hr no stretch #1":"21.21","serum 6hr no stretch #2":"21.34","serum 6hr no stretch #3":"21.46"},{"Metabolite":"Lactic acid","p0 #1":"26.03","p0 #2":"25.81","p0 #3":"26.19","p1 #1":"25.84","p1 #2":"26.15","p1 #3":"26.25","p3 #1":"26.35","p3 #2":"26.26","p3 #3":"26.23","p6 #1":"26.48","p6 #2":"26.87","p6 #3":"26.63","p12 #1":"26.84","p12 #2":"27.11","p12 #3":"26.93","p0 no stretch #1":"25.98","p1 no stretch #1":"26.24","p3 no stretch #1":"26.48","p6 no stretch #1":"26.41","serum 6hr no stretch #1":"27.24","serum 6hr no stretch #2":"27.7","serum 6hr no stretch #3":"27.63"},{"Metabolite":"Glycolic acid","p0 #1":"14.16","p0 #2":"","p0 #3":"","p1 #1":"13.99","p1 #2":"14.12","p1 #3":"","p3 #1":"14.15","p3 #2":"14.18","p3 #3":"14.1","p6 #1":"13.96","p6 #2":"14.04","p6 #3":"14.22","p12 #1":"15.27","p12 #2":"15.28","p12 #3":"14.86","p0 no stretch #1":"13.72","p1 no stretch #1":"","p3 no stretch #1":"11.92","p6 no stretch #1":"","serum 6hr no stretch #1":"15.42","serum 6hr no stretch #2":"15.78","serum 6hr no stretch #3":"15.33"},{"Metabolite":"Alanine","p0 #1":"21.96","p0 #2":"21.91","p0 #3":"22.43","p1 #1":"22.16","p1 #2":"22.23","p1 #3":"22.57","p3 #1":"22.46","p3 #2":"22.4","p3 #3":"22.42","p6 #1":"22.71","p6 #2":"23.01","p6 #3":"23.05","p12 #1":"23.13","p12 #2":"23.27","p12 #3":"23.19","p0 no stretch #1":"22.29","p1 no stretch #1":"22.49","p3 no stretch #1":"22.65","p6 no stretch #1":"22.68","serum 6hr no stretch #1":"22.76","serum 6hr no stretch #2":"23.3","serum 6hr no stretch #3":"23.11"},{"Metabolite":"C11 hydrocarbon","p0 #1":"15.31","p0 #2":"15.69","p0 #3":"15.41","p1 #1":"16.22","p1 #2":"15.46","p1 #3":"15.83","p3 #1":"14.93","p3 #2":"15.65","p3 #3":"13.58","p6 #1":"13.84","p6 #2":"15.41","p6 #3":"15.6","p12 #1":"13.73","p12 #2":"15.8","p12 #3":"13.75","p0 no stretch #1":"13.93","p1 no stretch #1":"13.71","p3 no stretch #1":"13.83","p6 no stretch #1":"16.02","serum 6hr no stretch #1":"15.9","serum 6hr no stretch #2":"15.61","serum 6hr no stretch #3":"15.19"},{"Metabolite":"2-Hydroxy-2-methylbutyric acid","p0 #1":"","p0 #2":"15.12","p0 #3":"15.9","p1 #1":"","p1 #2":"15.63","p1 #3":"15.1","p3 #1":"15.25","p3 #2":"","p3 #3":"","p6 #1":"","p6 #2":"15.48","p6 #3":"","p12 #1":"14.75","p12 #2":"15.81","p12 #3":"","p0 no stretch #1":"","p1 no stretch #1":"","p3 no stretch #1":"15.36","p6 no stretch #1":"15.3","serum 6hr no stretch #1":"","serum 6hr no stretch #2":"","serum 6hr no stretch #3":""},{"Metabolite":"2-Ketovaline","p0 #1":"16.61","p0 #2":"16.27","p0 #3":"16.96","p1 #1":"16.27","p1 #2":"16.19","p1 #3":"17.11","p3 #1":"16.83","p3 #2":"17.35","p3 #3":"17.02","p6 #1":"17.2","p6 #2":"17.52","p6 #3":"17.65","p12 #1":"18.01","p12 #2":"18.31","p12 #3":"18.21","p0 no stretch #1":"16.91","p1 no stretch #1":"17.28","p3 no stretch #1":"17.42","p6 no stretch #1":"17.42","serum 6hr no stretch #1":"17.88","serum 6hr no stretch #2":"18.5","serum 6hr no stretch #3":"18.4"},{"Metabolite":"2-Hydroxybutyric acid","p0 #1":"23.17","p0 #2":"23.19","p0 #3":"23.82","p1 #1":"23.71","p1 #2":"23.61","p1 #3":"23.87","p3 #1":"23.36","p3 #2":"23.33","p3 #3":"23.89","p6 #1":"23.29","p6 #2":"23.69","p6 #3":"23.86","p12 #1":"23.23","p12 #2":"23.3","p12 #3":"23.57","p0 no stretch #1":"23.4","p1 no stretch #1":"23.6","p3 no stretch #1":"23.4","p6 no stretch #1":"22.99","serum 6hr no stretch #1":"23.18","serum 6hr no stretch #2":"24.12","serum 6hr no stretch #3":"23.59"},{"Metabolite":"Sulfuric acid","p0 #1":"","p0 #2":"","p0 #3":"","p1 #1":"","p1 #2":"16.57","p1 #3":"","p3 #1":"17.4","p3 #2":"12.47","p3 #3":"13.85","p6 #1":"","p6 #2":"12.55","p6 #3":"14.6","p12 #1":"","p12 #2":"15.39","p12 #3":"","p0 no stretch #1":"","p1 no stretch #1":"","p3 no stretch #1":"17","p6 no stretch #1":"16.18","serum 6hr no stretch #1":"","serum 6hr no stretch #2":"","serum 6hr no stretch #3":""},{"Metabolite":"Dodecamethylpentasiloxane","p0 #1":"17.14","p0 #2":"16.68","p0 #3":"16.83","p1 #1":"16.29","p1 #2":"16.84","p1 #3":"16.92","p3 #1":"17.54","p3 #2":"16.64","p3 #3":"17.05","p6 #1":"17.39","p6 #2":"17.71","p6 #3":"17.71","p12 #1":"17.61","p12 #2":"17.66","p12 #3":"17.55","p0 no stretch #1":"15.93","p1 no stretch #1":"16.35","p3 no stretch #1":"15.87","p6 no stretch #1":"15.89","serum 6hr no stretch #1":"17.43","serum 6hr no stretch #2":"17.92","serum 6hr no stretch #3":"18.07"},{"Metabolite":"Malonic acid","p0 #1":"17.24","p0 #2":"17.75","p0 #3":"17.17","p1 #1":"16.45","p1 #2":"17.88","p1 #3":"16.97","p3 #1":"17.85","p3 #2":"16.92","p3 #3":"17.27","p6 #1":"15.99","p6 #2":"17.1","p6 #3":"17.11","p12 #1":"16.5","p12 #2":"17.47","p12 #3":"16.94","p0 no stretch #1":"16.45","p1 no stretch #1":"16.52","p3 no stretch #1":"17.27","p6 no stretch #1":"17.07","serum 6hr no stretch #1":"17.44","serum 6hr no stretch #2":"17.23","serum 6hr no stretch #3":"16.58"},{"Metabolite":"2-Ketoleucine","p0 #1":"19.5","p0 #2":"19.23","p0 #3":"20.09","p1 #1":"19.51","p1 #2":"18.94","p1 #3":"20.05","p3 #1":"19.95","p3 #2":"19.84","p3 #3":"19.99","p6 #1":"20.11","p6 #2":"20.36","p6 #3":"20.49","p12 #1":"20.69","p12 #2":"20.94","p12 #3":"20.77","p0 no stretch #1":"19.76","p1 no stretch #1":"20.03","p3 no stretch #1":"20.04","p6 no stretch #1":"20.14","serum 6hr no stretch #1":"20.28","serum 6hr no stretch #2":"21","serum 6hr no stretch #3":"21"},{"Metabolite":"Valine","p0 #1":"23.48","p0 #2":"23.26","p0 #3":"24.58","p1 #1":"24.05","p1 #2":"23.53","p1 #3":"24.71","p3 #1":"23.28","p3 #2":"23.96","p3 #3":"24.43","p6 #1":"24.08","p6 #2":"24.06","p6 #3":"24.47","p12 #1":"24.56","p12 #2":"23.94","p12 #3":"24.82","p0 no stretch #1":"24.42","p1 no stretch #1":"24.77","p3 no stretch #1":"24.06","p6 no stretch #1":"24.3","serum 6hr no stretch #1":"24.21","serum 6hr no stretch #2":"24.84","serum 6hr no stretch #3":"24.75"},{"Metabolite":"C12 hydrocarbon","p0 #1":"13.57","p0 #2":"14.66","p0 #3":"13.98","p1 #1":"14.57","p1 #2":"13.82","p1 #3":"14.82","p3 #1":"14.93","p3 #2":"14.2","p3 #3":"14.51","p6 #1":"14.42","p6 #2":"14.24","p6 #3":"14.44","p12 #1":"14.18","p12 #2":"14.36","p12 #3":"13.85","p0 no stretch #1":"14.36","p1 no stretch #1":"14.36","p3 no stretch #1":"14.32","p6 no stretch #1":"14.58","serum 6hr no stretch #1":"14.49","serum 6hr no stretch #2":"15.16","serum 6hr no stretch #3":"14.64"},{"Metabolite":"Benzoic acid","p0 #1":"16.69","p0 #2":"16.67","p0 #3":"16.76","p1 #1":"16.84","p1 #2":"16.66","p1 #3":"16.8","p3 #1":"16.86","p3 #2":"16.83","p3 #3":"17.05","p6 #1":"17.03","p6 #2":"16.68","p6 #3":"16.76","p12 #1":"16.83","p12 #2":"16.84","p12 #3":"16.84","p0 no stretch #1":"16.64","p1 no stretch #1":"16.67","p3 no stretch #1":"16.69","p6 no stretch #1":"16.33","serum 6hr no stretch #1":"17.06","serum 6hr no stretch #2":"17.23","serum 6hr no stretch #3":"16.91"},{"Metabolite":"Ethanolamine","p0 #1":"16.38","p0 #2":"16.37","p0 #3":"16.97","p1 #1":"16.69","p1 #2":"16.63","p1 #3":"16.82","p3 #1":"17.05","p3 #2":"16.77","p3 #3":"17.03","p6 #1":"16.9","p6 #2":"16.87","p6 #3":"17.1","p12 #1":"17.7","p12 #2":"17.65","p12 #3":"17.57","p0 no stretch #1":"16.97","p1 no stretch #1":"17.37","p3 no stretch #1":"17.22","p6 no stretch #1":"17.5","serum 6hr no stretch #1":"17.36","serum 6hr no stretch #2":"17.84","serum 6hr no stretch #3":"17.68"},{"Metabolite":"Phosphoric acid","p0 #1":"17.65","p0 #2":"17.45","p0 #3":"","p1 #1":"17.46","p1 #2":"16.87","p1 #3":"16.85","p3 #1":"18.11","p3 #2":"17.35","p3 #3":"17.34","p6 #1":"17.2","p6 #2":"18.41","p6 #3":"17.11","p12 #1":"17.68","p12 #2":"17.34","p12 #3":"17.02","p0 no stretch #1":"16.97","p1 no stretch #1":"17.12","p3 no stretch #1":"16.53","p6 no stretch #1":"17.99","serum 6hr no stretch #1":"17.97","serum 6hr no stretch #2":"17.67","serum 6hr no stretch #3":"17.59"},{"Metabolite":"1,3-Dihydroxyacetone","p0 #1":"23.24","p0 #2":"23.35","p0 #3":"","p1 #1":"","p1 #2":"23.62","p1 #3":"","p3 #1":"23.72","p3 #2":"23.42","p3 #3":"23.9","p6 #1":"23.75","p6 #2":"23.63","p6 #3":"","p12 #1":"24","p12 #2":"23.82","p12 #3":"","p0 no stretch #1":"","p1 no stretch #1":"","p3 no stretch #1":"23.71","p6 no stretch #1":"","serum 6hr no stretch #1":"","serum 6hr no stretch #2":"","serum 6hr no stretch #3":""},{"Metabolite":"Leucine","p0 #1":"24.08","p0 #2":"24.25","p0 #3":"24.84","p1 #1":"24.13","p1 #2":"24.42","p1 #3":"25","p3 #1":"24.53","p3 #2":"24.04","p3 #3":"24.69","p6 #1":"24.5","p6 #2":"24.49","p6 #3":"24.69","p12 #1":"24.88","p12 #2":"24.64","p12 #3":"25.03","p0 no stretch #1":"24.59","p1 no stretch #1":"25","p3 no stretch #1":"24.31","p6 no stretch #1":"24.54","serum 6hr no stretch #1":"24.46","serum 6hr no stretch #2":"24.85","serum 6hr no stretch #3":"24.91"},{"Metabolite":"Glycerol","p0 #1":"23.24","p0 #2":"23.35","p0 #3":"21.41","p1 #1":"19.76","p1 #2":"23.62","p1 #3":"25","p3 #1":"21.28","p3 #2":"23.42","p3 #3":"23.9","p6 #1":"23.75","p6 #2":"20.72","p6 #3":"20.6","p12 #1":"21.5","p12 #2":"22.04","p12 #3":"22.78","p0 no stretch #1":"24.59","p1 no stretch #1":"20.63","p3 no stretch #1":"23.71","p6 no stretch #1":"20.44","serum 6hr no stretch #1":"20.82","serum 6hr no stretch #2":"20.37","serum 6hr no stretch #3":"22.56"},{"Metabolite":"Ethylmalonic acid","p0 #1":"23.24","p0 #2":"23.35","p0 #3":"","p1 #1":"","p1 #2":"23.62","p1 #3":"22.48","p3 #1":"23.72","p3 #2":"23.42","p3 #3":"23.9","p6 #1":"23.75","p6 #2":"23.63","p6 #3":"","p12 #1":"24","p12 #2":"23.82","p12 #3":"22.78","p0 no stretch #1":"","p1 no stretch #1":"","p3 no stretch #1":"23.71","p6 no stretch #1":"","serum 6hr no stretch #1":"","serum 6hr no stretch #2":"","serum 6hr no stretch #3":"22.56"},{"Metabolite":"C13 hydrocarbon","p0 #1":"16.42","p0 #2":"16.85","p0 #3":"16.77","p1 #1":"17.18","p1 #2":"16.57","p1 #3":"17","p3 #1":"17.08","p3 #2":"16.78","p3 #3":"16.97","p6 #1":"17.16","p6 #2":"16.65","p6 #3":"16.67","p12 #1":"17.06","p12 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#1":"","p1 #2":"","p1 #3":"","p3 #1":"","p3 #2":"15.24","p3 #3":"","p6 #1":"13.25","p6 #2":"15.21","p6 #3":"","p12 #1":"","p12 #2":"","p12 #3":"","p0 no stretch #1":"","p1 no stretch #1":"","p3 no stretch #1":"","p6 no stretch #1":"","serum 6hr no stretch #1":"","serum 6hr no stretch #2":"","serum 6hr no stretch #3":"15.04"},{"Metabolite":"C22 hydrocarbon","p0 #1":"","p0 #2":"13.92","p0 #3":"","p1 #1":"14.6","p1 #2":"","p1 #3":"14.51","p3 #1":"14.48","p3 #2":"13.72","p3 #3":"14.4","p6 #1":"14.07","p6 #2":"","p6 #3":"13.21","p12 #1":"14.3","p12 #2":"14.12","p12 #3":"14.47","p0 no stretch #1":"13.92","p1 no stretch #1":"13.93","p3 no stretch #1":"14.23","p6 no stretch #1":"14.41","serum 6hr no stretch #1":"14.07","serum 6hr no stretch #2":"13.76","serum 6hr no stretch #3":""},{"Metabolite":"Tryptamine/Norepinephrine","p0 #1":"13.61","p0 #2":"15.14","p0 #3":"15.08","p1 #1":"14.76","p1 #2":"14.94","p1 #3":"14.79","p3 #1":"14.76","p3 #2":"14.7","p3 #3":"15.82","p6 #1":"14.65","p6 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#1":"22.24","p12 #2":"22.15","p12 #3":"22.35","p0 no stretch #1":"21.95","p1 no stretch #1":"22.06","p3 no stretch #1":"22.12","p6 no stretch #1":"22.27","serum 6hr no stretch #1":"22.32","serum 6hr no stretch #2":"22.16","serum 6hr no stretch #3":"21.51"},{"Metabolite":"Hexacosemethyldodecasiloxane","p0 #1":"","p0 #2":"","p0 #3":"13.16","p1 #1":"","p1 #2":"13","p1 #3":"12.51","p3 #1":"","p3 #2":"14.23","p3 #3":"","p6 #1":"","p6 #2":"13.96","p6 #3":"13.15","p12 #1":"","p12 #2":"","p12 #3":"","p0 no stretch #1":"","p1 no stretch #1":"12.33","p3 no stretch #1":"13.27","p6 no stretch #1":"","serum 6hr no stretch #1":"","serum 6hr no stretch #2":"13.68","serum 6hr no stretch #3":"14.73"},{"Metabolite":"Cystine","p0 #1":"22.62","p0 #2":"22.51","p0 #3":"22.52","p1 #1":"22.19","p1 #2":"22.56","p1 #3":"22.75","p3 #1":"22.77","p3 #2":"22.35","p3 #3":"22.21","p6 #1":"21.72","p6 #2":"23.13","p6 #3":"22.8","p12 #1":"22.81","p12 #2":"22.8","p12 #3":"22.94","p0 no stretch #1":"22.67","p1 no stretch #1":"23.04","p3 no stretch #1":"22.44","p6 no stretch #1":"22.49","serum 6hr no stretch #1":"22.4","serum 6hr no stretch #2":"22.87","serum 6hr no stretch #3":"22.97"},{"Metabolite":"Hexose-6-phosphate","p0 #1":"18.89","p0 #2":"19.13","p0 #3":"","p1 #1":"17.13","p1 #2":"","p1 #3":"","p3 #1":"18.74","p3 #2":"18.49","p3 #3":"16.49","p6 #1":"","p6 #2":"18.9","p6 #3":"18.24","p12 #1":"17.13","p12 #2":"","p12 #3":"17.11","p0 no stretch #1":"19.34","p1 no stretch #1":"","p3 no stretch #1":"","p6 no stretch #1":"","serum 6hr no stretch #1":"19.79","serum 6hr no stretch #2":"18.24","serum 6hr no stretch #3":"19.36"},{"Metabolite":"5-Hydroxytryptophan","p0 #1":"","p0 #2":"","p0 #3":"14.6","p1 #1":"14.34","p1 #2":"","p1 #3":"14.73","p3 #1":"","p3 #2":"","p3 #3":"14.44","p6 #1":"15.25","p6 #2":"","p6 #3":"15.87","p12 #1":"17.06","p12 #2":"17.33","p12 #3":"17.46","p0 no stretch #1":"","p1 no stretch #1":"15.1","p3 no stretch #1":"15.18","p6 no stretch #1":"15.74","serum 6hr no stretch #1":"16.61","serum 6hr no stretch #2":"18.61","serum 6hr no stretch #3":"17.95"},{"Metabolite":"beta-Monopalmitin","p0 #1":"17.26","p0 #2":"16.81","p0 #3":"15.86","p1 #1":"16.63","p1 #2":"16.82","p1 #3":"16.64","p3 #1":"16.76","p3 #2":"16.65","p3 #3":"16.23","p6 #1":"16.39","p6 #2":"18.19","p6 #3":"16.21","p12 #1":"16.75","p12 #2":"16.7","p12 #3":"16.81","p0 no stretch #1":"16.77","p1 no stretch #1":"16.72","p3 no stretch #1":"16.43","p6 no stretch #1":"14.04","serum 6hr no stretch #1":"16.85","serum 6hr no stretch #2":"18.88","serum 6hr no stretch #3":"17.19"},{"Metabolite":"alpha-Monopalmitin","p0 #1":"21.8","p0 #2":"21.85","p0 #3":"21.55","p1 #1":"21.97","p1 #2":"21.8","p1 #3":"22.11","p3 #1":"22.08","p3 #2":"21.72","p3 #3":"22.06","p6 #1":"21.87","p6 #2":"22.08","p6 #3":"22.05","p12 #1":"21.91","p12 #2":"22.22","p12 #3":"22.38","p0 no stretch #1":"22.24","p1 no stretch #1":"22.25","p3 no stretch #1":"22","p6 no stretch #1":"21.77","serum 6hr no stretch #1":"22.1","serum 6hr no stretch #2":"22","serum 6hr no stretch #3":"22.07"},{"Metabolite":"Sucrose and similar disaccharides","p0 #1":"13.67","p0 #2":"","p0 #3":"","p1 #1":"13.37","p1 #2":"13.28","p1 #3":"","p3 #1":"","p3 #2":"11.93","p3 #3":"12.12","p6 #1":"12.9","p6 #2":"13.76","p6 #3":"13.71","p12 #1":"12.06","p12 #2":"","p12 #3":"","p0 no stretch #1":"13.57","p1 no stretch #1":"","p3 no stretch #1":"","p6 no stretch #1":"13.93","serum 6hr no stretch #1":"","serum 6hr no stretch #2":"","serum 6hr no stretch #3":"13.02"},{"Metabolite":"Lactose or similar disaccharide","p0 #1":"18.3","p0 #2":"18.19","p0 #3":"18.88","p1 #1":"17.93","p1 #2":"18.25","p1 #3":"18.55","p3 #1":"18.57","p3 #2":"18.47","p3 #3":"18.83","p6 #1":"17.92","p6 #2":"18.53","p6 #3":"19.19","p12 #1":"19.06","p12 #2":"18.63","p12 #3":"19.31","p0 no stretch #1":"18.42","p1 no stretch #1":"18.81","p3 no stretch #1":"18.96","p6 no stretch #1":"18.48","serum 6hr no stretch #1":"","serum 6hr no stretch #2":"","serum 6hr no stretch 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#3":"18.21"},{"Metabolite":"alpha-Monostearin","p0 #1":"24.83","p0 #2":"24.92","p0 #3":"24.67","p1 #1":"25.16","p1 #2":"25","p1 #3":"25.24","p3 #1":"25.21","p3 #2":"24.79","p3 #3":"25.2","p6 #1":"25.04","p6 #2":"25.05","p6 #3":"25.1","p12 #1":"25.08","p12 #2":"25.28","p12 #3":"25.4","p0 no stretch #1":"25.35","p1 no stretch #1":"25.39","p3 no stretch #1":"25.23","p6 no stretch #1":"24.93","serum 6hr no stretch #1":"25.14","serum 6hr no stretch #2":"24.97","serum 6hr no stretch #3":"25.08"},{"Metabolite":"Isomaltose or similar disaccharide","p0 #1":"19.67","p0 #2":"19.5","p0 #3":"19.73","p1 #1":"19.12","p1 #2":"19.52","p1 #3":"19.78","p3 #1":"19.86","p3 #2":"19.42","p3 #3":"19.49","p6 #1":"19.02","p6 #2":"20.09","p6 #3":"19.96","p12 #1":"19.86","p12 #2":"19.85","p12 #3":"20.07","p0 no stretch #1":"19.72","p1 no stretch #1":"20.11","p3 no stretch #1":"19.71","p6 no stretch #1":"19.73","serum 6hr no stretch #1":"19.24","serum 6hr no stretch #2":"20.21","serum 6hr no stretch #3":"20.34"}],

"Metabolites":[{"Metabolite":"Glyoxylic acid","CAS":"563-96-2","Retention time":"5.916","Reverse":"73.5","SimPeak":"7"},{"Metabolite":"C10 hydrocarbon","CAS":"124-18-5","Retention time":"6.185","Reverse":"81.2","SimPeak":"8"},{"Metabolite":"epsilon-Caprolactam","CAS":"105-60-2","Retention time":"6.2574","Reverse":"82.5","SimPeak":"9"},{"Metabolite":"2-Hydroxypyridine","CAS":"142-08-5","Retention time":"6.4525","Reverse":"85.2","SimPeak":"13"},{"Metabolite":"Pyruvic acid","CAS":"127-17-3","Retention time":"6.5922","Reverse":"99","SimPeak":"14"},{"Metabolite":"Lactic acid","CAS":"79-33-4","Retention time":"6.7791","Reverse":"99.8","SimPeak":"16"},{"Metabolite":"Glycolic acid","CAS":"79-14-1","Retention time":"7.0133","Reverse":"88.1","SimPeak":"20"},{"Metabolite":"Alanine","CAS":"56-41-7","Retention time":"7.4056","Reverse":"99","SimPeak":"23"},{"Metabolite":"C11 hydrocarbon","CAS":"1120-21-4","Retention time":"7.4866","Reverse":"75.1","SimPeak":"24"},{"Metabolite":"2-Hydroxy-2-methylbutyric acid","CAS":"3739-30-8","Retention time":"7.8051","Reverse":"68.9","SimPeak":"28"},{"Metabolite":"2-Ketovaline","CAS":"759-05-7","Retention time":"7.8521","Reverse":"94.9","SimPeak":"29"},{"Metabolite":"2-Hydroxybutyric acid","CAS":"565-70-8","Retention time":"7.9649","Reverse":"74","SimPeak":"32"},{"Metabolite":"Sulfuric acid","CAS":"7664-93-9","Retention time":"8.3068","Reverse":"86.9","SimPeak":"35"},{"Metabolite":"Dodecamethylpentasiloxane","CAS":"","Retention time":"8.3661","Reverse":"0","SimPeak":"36"},{"Metabolite":"Malonic acid","CAS":"141-82-2","Retention time":"8.9088","Reverse":"84.9","SimPeak":"46"},{"Metabolite":"2-Ketoleucine","CAS":"816-66-0","Retention time":"9.0128","Reverse":"99.3","SimPeak":"49"},{"Metabolite":"Valine","CAS":"72-18-4","Retention time":"9.0754","Reverse":"99.2","SimPeak":"50"},{"Metabolite":"C12 hydrocarbon","CAS":"112-40-3","Retention time":"9.2413","Reverse":"74.3","SimPeak":"53"},{"Metabolite":"Benzoic acid","CAS":"65-85-0","Retention time":"9.5983","Reverse":"98.4","SimPeak":"60"},{"Metabolite":"Ethanolamine","CAS":"141-43-5","Retention time":"9.8107","Reverse":"90.5","SimPeak":"64"},{"Metabolite":"Phosphoric acid","CAS":"7664-38-2","Retention time":"9.8485","Reverse":"91.8","SimPeak":"65"},{"Metabolite":"1,3-Dihydroxyacetone","CAS":"96-26-4","Retention time":"9.8665","Reverse":"65.6","SimPeak":"66"},{"Metabolite":"Leucine","CAS":"61-90-5","Retention time":"9.8713","Reverse":"97.9","SimPeak":"67"},{"Metabolite":"Glycerol","CAS":"56-81-5","Retention time":"9.8815","Reverse":"93.4","SimPeak":"69"},{"Metabolite":"Ethylmalonic acid","CAS":"601-75-2","Retention time":"9.8799","Reverse":"69.9","SimPeak":"70"},{"Metabolite":"C13 hydrocarbon","CAS":"629-50-5","Retention time":"10.0037","Reverse":"77.7","SimPeak":"72"},{"Metabolite":"Isoleucine","CAS":"443-79-8","Retention time":"10.1788","Reverse":"100","SimPeak":"74"},{"Metabolite":"Proline","CAS":"147-85-3","Retention time":"10.2512","Reverse":"96","SimPeak":"75"},{"Metabolite":"Glycine","CAS":"56-40-6","Retention time":"10.3698","Reverse":"99","SimPeak":"77"},{"Metabolite":"Succinic acid","CAS":"110-15-6","Retention time":"10.4499","Reverse":"75.6","SimPeak":"79"},{"Metabolite":"Glyceric acid","CAS":"473-81-4","Retention time":"10.663","Reverse":"71.7","SimPeak":"83"},{"Metabolite":"MSTFA artifact","CAS":"24589-78-4","Retention time":"10.7331","Reverse":"86.4","SimPeak":"84"},{"Metabolite":"Fumaric acid","CAS":"17013-01-3","Retention time":"10.961","Reverse":"86.3","SimPeak":"87"},{"Metabolite":"Serine","CAS":"56-45-1","Retention time":"11.0755","Reverse":"99","SimPeak":"88"},{"Metabolite":"Threonine","CAS":"72-19-5","Retention time":"11.4268","Reverse":"99","SimPeak":"92"},{"Metabolite":"Hydroquinone","CAS":"123-31-9","Retention time":"11.8527","Reverse":"51","SimPeak":"95"},{"Metabolite":"C14 Hydrocarbon","CAS":"629-59-4","Retention time":"11.9049","Reverse":"73.3","SimPeak":"96"},{"Metabolite":"beta-Alanine","CAS":"107-95-9","Retention time":"12.0056","Reverse":"75.6","SimPeak":"97"},{"Metabolite":"Threose/erythrose","CAS":"95-43-2","Retention time":"12.2856","Reverse":"73.5","SimPeak":"98"},{"Metabolite":"Aminomalonic acid","CAS":"1068-84-4","Retention time":"12.5131","Reverse":"65.3","SimPeak":"101"},{"Metabolite":"Aspartic acid","CAS":"16504-56-6","Retention time":"12.5295","Reverse":"71.6","SimPeak":"102"},{"Metabolite":"Malic acid","CAS":"617-48-1","Retention time":"12.7361","Reverse":"87.3","SimPeak":"105"},{"Metabolite":"Nicotinamide","CAS":"98-92-0","Retention time":"12.7709","Reverse":"92.5","SimPeak":"106"},{"Metabolite":"C15 hydrocarbon","CAS":"629-62-9","Retention time":"12.8566","Reverse":"82.1","SimPeak":"107"},{"Metabolite":"Hydroxyprolines","CAS":"4298-08-2","Retention time":"12.9591","Reverse":"75.8","SimPeak":"110"},{"Metabolite":"Threitol/erythritol","CAS":"149-32-6","Retention time":"12.9845","Reverse":"81.5","SimPeak":"111"},{"Metabolite":"Methionine","CAS":"63-68-3","Retention time":"13.1669","Reverse":"86.8","SimPeak":"112"},{"Metabolite":"Glutamic acid","CAS":"56-86-0","Retention time":"13.199","Reverse":"99.7","SimPeak":"113"},{"Metabolite":"Erythronic acid/threonic acid","CAS":"13752-84-6","Retention time":"13.4125","Reverse":"75.4","SimPeak":"115"},{"Metabolite":"Cysteine","CAS":"52-90-4","Retention time":"13.5897","Reverse":"93.1","SimPeak":"119"},{"Metabolite":"alpha Ketoglutaric acid","CAS":"328-50-7","Retention time":"13.8052","Reverse":"82.2","SimPeak":"121"},{"Metabolite":"2-Isopropylmalic acid","CAS":"16048-89-8","Retention time":"14.1449","Reverse":"77","SimPeak":"125"},{"Metabolite":"Phenylalanine","CAS":"63-91-2","Retention time":"14.4664","Reverse":"97","SimPeak":"128"},{"Metabolite":"Succinylacetone","CAS":"51568-18-4","Retention time":"14.6441","Reverse":"78.8","SimPeak":"131"},{"Metabolite":"Asparagine","CAS":"70-47-3","Retention time":"14.9279","Reverse":"93.3","SimPeak":"136"},{"Metabolite":"Cysteinesulfinic acid","CAS":"1115-65-7","Retention time":"15.0536","Reverse":"75.6","SimPeak":"140"},{"Metabolite":"Pentitols","CAS":"488-82-4","Retention time":"15.5475","Reverse":"81.4","SimPeak":"149"},{"Metabolite":"Putrescine","CAS":"110-60-1","Retention time":"15.7483","Reverse":"81","SimPeak":"151"},{"Metabolite":"Glutamine","CAS":"56-85-9","Retention time":"16.1276","Reverse":"98","SimPeak":"154"},{"Metabolite":"Gentisic acid","CAS":"490-79-9","Retention time":"16.2475","Reverse":"75","SimPeak":"157"},{"Metabolite":"Unoximated aldohexose","CAS":"138-59-0","Retention time":"16.4398","Reverse":"55.7","SimPeak":"159"},{"Metabolite":"Hypoxanthine","CAS":"68-94-0","Retention time":"16.4736","Reverse":"85.3","SimPeak":"160"},{"Metabolite":"Citric acid/isocitric acid","CAS":"5949-29-1","Retention time":"16.5612","Reverse":"98.2","SimPeak":"162"},{"Metabolite":"Ornithine","CAS":"70-26-8","Retention time":"16.5768","Reverse":"92.1","SimPeak":"163"},{"Metabolite":"Arginine/Citrulline","CAS":"74-79-3","Retention time":"16.6427","Reverse":"96.1","SimPeak":"164"},{"Metabolite":"deuterated Myristic Acid (RTL std)","CAS":"60658-41-5","Retention time":"16.7219","Reverse":"99","SimPeak":"165"},{"Metabolite":"Myristic acid or Pentadecanol","CAS":"629-76-5","Retention time":"16.9412","Reverse":"94","SimPeak":"169"},{"Metabolite":"Methionine sulfoxide","CAS":"3226-65-1","Retention time":"17.001","Reverse":"81.4","SimPeak":"171"},{"Metabolite":"Fructose or similar ketohexose","CAS":"87-81-0","Retention time":"17.1235","Reverse":"98.8","SimPeak":"173"},{"Metabolite":"Gluconic acid or similar sugar acid","CAS":"1198-69-2","Retention time":"17.2245","Reverse":"83.9","SimPeak":"176"},{"Metabolite":"Pyridoxine","CAS":"65-23-6","Retention time":"17.39","Reverse":"93","SimPeak":"183"},{"Metabolite":"Glucose and other aldohexoses 2","CAS":"2595-98-4","Retention time":"17.5606","Reverse":"98.7","SimPeak":"184"},{"Metabolite":"Glucose and other aldohexoses 1","CAS":"50-99-7","Retention time":"17.5983","Reverse":"99.3","SimPeak":"187"},{"Metabolite":"Dehydroascorbic acid�","CAS":"490-83-5","Retention time":"17.5577","Reverse":"73.3","SimPeak":"188"},{"Metabolite":"Hexitols","CAS":"87-78-5","Retention time":"17.5814","Reverse":"90.7","SimPeak":"189"},{"Metabolite":"Histidine","CAS":"5934-29-2","Retention time":"17.6883","Reverse":"81.1","SimPeak":"191"},{"Metabolite":"Lysine","CAS":"56-87-1","Retention time":"17.7219","Reverse":"99","SimPeak":"192"},{"Metabolite":"Tyrosine","CAS":"60-18-4","Retention time":"17.8678","Reverse":"99","SimPeak":"195"},{"Metabolite":"Sedoheptulose or similar sugar","CAS":"469-90-9","Retention time":"18.0049","Reverse":"75.7","SimPeak":"200"},{"Metabolite":"Glucose and other aldohexoses 3","CAS":"50-99-7","Retention time":"18.1978","Reverse":"97.4","SimPeak":"206"},{"Metabolite":"Pantothenic acid","CAS":"137-08-6","Retention time":"18.3531","Reverse":"94.6","SimPeak":"208"},{"Metabolite":"Palmitic acid","CAS":"57-10-3","Retention time":"18.908","Reverse":"99.9","SimPeak":"217"},{"Metabolite":"Myoinositol","CAS":"87-89-8","Retention time":"19.3215","Reverse":"97","SimPeak":"221"},{"Metabolite":"Guanine","CAS":"73-40-5","Retention time":"19.6127","Reverse":"85","SimPeak":"225"},{"Metabolite":"C21 Hydrocarbon","CAS":"629-94-7","Retention time":"19.6866","Reverse":"66.9","SimPeak":"227"},{"Metabolite":"Methyl stearate","CAS":"112-61-8","Retention time":"19.7165","Reverse":"87.8","SimPeak":"228"},{"Metabolite":"Tetracosamethylundecasiloxane","CAS":"107-53-9","Retention time":"19.7579","Reverse":"62.7","SimPeak":"229"},{"Metabolite":"Heptadecanoic acid/Octadecanol","CAS":"506-12-7","Retention time":"19.8307","Reverse":"81.3","SimPeak":"230"},{"Metabolite":"C22 hydrocarbon","CAS":"629-97-0","Retention time":"20.0663","Reverse":"66.5","SimPeak":"232"},{"Metabolite":"Tryptamine/Norepinephrine","CAS":"61-54-1","Retention time":"20.235","Reverse":"73","SimPeak":"233"},{"Metabolite":"Tryptophan","CAS":"73-22-3","Retention time":"20.4606","Reverse":"100","SimPeak":"236"},{"Metabolite":"Stearic acid","CAS":"57-11-4","Retention time":"20.7175","Reverse":"99.1","SimPeak":"240"},{"Metabolite":"Hexacosemethyldodecasiloxane","CAS":"2471-08-1","Retention time":"21.0244","Reverse":"64.8","SimPeak":"246"},{"Metabolite":"Cystine","CAS":"56-89-3","Retention time":"21.1313","Reverse":"99.4","SimPeak":"247"},{"Metabolite":"Hexose-6-phosphate","CAS":"3672-15-9","Retention time":"21.3133","Reverse":"78.7","SimPeak":"248"},{"Metabolite":"5-Hydroxytryptophan","CAS":"4350-09-8","Retention time":"22.1245","Reverse":"69.7","SimPeak":"255"},{"Metabolite":"beta-Monopalmitin","CAS":"23470-00-0","Retention time":"23.2523","Reverse":"96.1","SimPeak":"264"},{"Metabolite":"alpha-Monopalmitin","CAS":"542-44-9","Retention time":"23.5166","Reverse":"99.8","SimPeak":"266"},{"Metabolite":"Sucrose and similar disaccharides","CAS":"57-50-1","Retention time":"23.8844","Reverse":"75.2","SimPeak":"268"},{"Metabolite":"Lactose or similar disaccharide","CAS":"63-42-3","Retention time":"24.6518","Reverse":"81.6","SimPeak":"273"},{"Metabolite":"beta-Monostearin","CAS":"31566-31-1","Retention time":"24.6937","Reverse":"96.6","SimPeak":"275"},{"Metabolite":"Maltose or similar disaccharide","CAS":"69-79-4","Retention time":"24.8427","Reverse":"89.5","SimPeak":"278"},{"Metabolite":"alpha-Monostearin","CAS":"123-94-4","Retention time":"24.9608","Reverse":"100","SimPeak":"279"},{"Metabolite":"Isomaltose or similar disaccharide","CAS":"499-40-1","Retention time":"25.6047","Reverse":"98.2","SimPeak":"282"}]
}

}