{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000897","ANALYSIS_ID":"AN001459","VERSION":"1","CREATED_ON":"November 10, 2017, 10:12 am"},

"PROJECT":{"PROJECT_TITLE":"Non targeted metabolomic profiling of sedentary vs. exercise trained rat hearts +/- ischemia reperfusion injury rats","PROJECT_TYPE":"GC-MS non targeted analysis","PROJECT_SUMMARY":"Non targeted meatbolomic profiling of sedentary vs. exercise trained rat hearts +/- ischemia reperfusion injury","INSTITUTE":"University of North Carolina","DEPARTMENT":"McAllister heart Institute, Department of Pathology & Laboratory Medicine","LABORATORY":"Multiple Centers","LAST_NAME":"Willis","FIRST_NAME":"Monte","ADDRESS":"111 Mason Farm road, Chapel Hill, North Carolina, 27599-7126, USA","EMAIL":"monte_willis@med.unc.edu","PHONE":"919-360-7599","FUNDING_SOURCE":"NIH, Fondation Leducq"},

"STUDY":{"STUDY_TITLE":"Untargeted metabolomics analysis of ischemia-reperfusion injured hearts ex vivo from sedentary and exercise trained rats.","STUDY_SUMMARY":"The effects of exercise on the heart and its resistance to disease are well-documented. Recent studies have identified exercise-induced resistance to arrhythmia is due to the preservation of mitochondrial membrane potential. To identify novel metabolic changes that occurred parallel to these mitochondrial alterations, we performed non-targeted metabolomics analysis on hearts from sedentary (Sed) and exercise- trained (Ex) rats challenged with isolated heart ischemia-reperfusion injury (I/R). Eight weeks old Sprague- Dawley rats were treadmill trained five days/week for six weeks (exercise duration and intensity progressively increased to 1 hour at 30 m/min up to 10.5% incline, 75-80% VO2mx). The recovery of pre-ischemic function for sedentary rat hearts was 28.8+/-5.4% (N=12) compared to exercise trained hearts which recovered 51.9%+/-5.7 (N=14)(p<0.001). Non-targeted GC-MS metabolomics analysis of 1) Sedentary rat hearts; 2) Exercise-trained rat hearts; 3) Sedentary rat hearts challenged with global ischemia-reperfusion (I/R) injury; and 4) Exercise-trained rat hearts challeged with global I/R (10/group) revealed 20 statistically significant metabolites between groups by ANOVA using Metaboanalyst (p<0.001). Enrichment analysis of these metabolites for pathway-associated metabolic sets indicated a >10 fold enrichment for ammonia recycling and protein biosynthesis (L-Glutamic acid; L-Proline; L-Histidine; L-Serine; L-Aspartic acid; L-Glutamine)(p<=4.05E-05, FDR=0.0024). Subsequent comparison of the sedentary hearts post-I/R and exercise-trained hearts post-I/R further identified significant differences in metabolites related to Aminoacyl-tRNA biosynthesis and nitrogen metabolism (4) (p<=1.24E-05, FDR<=5.07E-4). These studies shed light on novel mechanisms in which exercise-induced cardioprotection occurs in I/R which complement both the mitochondrial stabilization and antioxidant mechanisms recently described. These findings also link protein synthesis and protein degradation (protein quality control mechanisms) with exercise-linked cardioprotection and mitochondrial susceptibility for the first time in cardiac I/R.","INSTITUTE":"University of North Carolina","DEPARTMENT":"McAllister heart Institute, Department of Internal medicine","LABORATORY":"Multiple Centers","LAST_NAME":"Willis","FIRST_NAME":"Monte","ADDRESS":"111 Mason Farm road, Chapel Hill, North Carolina, 27599-7126, USA","EMAIL":"monte_willis@med.unc.edu","PHONE":"919-360-7599","STUDY_COMMENTS":"Cardiac tissue"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Rattus norvegicus","TAXONOMY_ID":"10116"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"H1",
"Factors":{"Animal Group":"Sedentary Control"}
},
{
"Subject ID":"-",
"Sample ID":"H4",
"Factors":{"Animal Group":"Sedentary Control"}
},
{
"Subject ID":"-",
"Sample ID":"H8",
"Factors":{"Animal Group":"Sedentary Control"}
},
{
"Subject ID":"-",
"Sample ID":"H15",
"Factors":{"Animal Group":"Sedentary Control"}
},
{
"Subject ID":"-",
"Sample ID":"H19",
"Factors":{"Animal Group":"Sedentary Control"}
},
{
"Subject ID":"-",
"Sample ID":"H21",
"Factors":{"Animal Group":"Sedentary Control"}
},
{
"Subject ID":"-",
"Sample ID":"H25",
"Factors":{"Animal Group":"Sedentary Control"}
},
{
"Subject ID":"-",
"Sample ID":"H30",
"Factors":{"Animal Group":"Sedentary Control"}
},
{
"Subject ID":"-",
"Sample ID":"H32",
"Factors":{"Animal Group":"Sedentary Control"}
},
{
"Subject ID":"-",
"Sample ID":"H34",
"Factors":{"Animal Group":"Sedentary Control"}
},
{
"Subject ID":"-",
"Sample ID":"H2",
"Factors":{"Animal Group":"Exercise Control"}
},
{
"Subject ID":"-",
"Sample ID":"H5",
"Factors":{"Animal Group":"Exercise Control"}
},
{
"Subject ID":"-",
"Sample ID":"H13",
"Factors":{"Animal Group":"Exercise Control"}
},
{
"Subject ID":"-",
"Sample ID":"H14",
"Factors":{"Animal Group":"Exercise Control"}
},
{
"Subject ID":"-",
"Sample ID":"H18",
"Factors":{"Animal Group":"Exercise Control"}
},
{
"Subject ID":"-",
"Sample ID":"H23",
"Factors":{"Animal Group":"Exercise Control"}
},
{
"Subject ID":"-",
"Sample ID":"H27",
"Factors":{"Animal Group":"Exercise Control"}
},
{
"Subject ID":"-",
"Sample ID":"H28",
"Factors":{"Animal Group":"Exercise Control"}
},
{
"Subject ID":"-",
"Sample ID":"H36",
"Factors":{"Animal Group":"Exercise Control"}
},
{
"Subject ID":"-",
"Sample ID":"H39",
"Factors":{"Animal Group":"Exercise Control"}
},
{
"Subject ID":"-",
"Sample ID":"H3",
"Factors":{"Animal Group":"Sedentary Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H7",
"Factors":{"Animal Group":"Sedentary Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H10",
"Factors":{"Animal Group":"Sedentary Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H12",
"Factors":{"Animal Group":"Sedentary Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H16",
"Factors":{"Animal Group":"Sedentary Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H24",
"Factors":{"Animal Group":"Sedentary Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H26",
"Factors":{"Animal Group":"Sedentary Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H33",
"Factors":{"Animal Group":"Sedentary Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H35",
"Factors":{"Animal Group":"Sedentary Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H37",
"Factors":{"Animal Group":"Sedentary Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H6",
"Factors":{"Animal Group":"Exercise Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H9",
"Factors":{"Animal Group":"Exercise Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H11",
"Factors":{"Animal Group":"Exercise Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H17",
"Factors":{"Animal Group":"Exercise Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H20",
"Factors":{"Animal Group":"Exercise Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H22",
"Factors":{"Animal Group":"Exercise Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H29",
"Factors":{"Animal Group":"Exercise Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H31",
"Factors":{"Animal Group":"Exercise Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H38",
"Factors":{"Animal Group":"Exercise Ischemia/Reperfusion Injury"}
},
{
"Subject ID":"-",
"Sample ID":"H40",
"Factors":{"Animal Group":"Exercise Ischemia/Reperfusion Injury"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cardiac tissue was harvested amd then flash frozen in a liquid nitrogen."},

"TREATMENT":{"TREATMENT_SUMMARY":"Fraction of cardiac tissue weighed (25-50 mg wet weight), then the finely cut up tissue quickly added to fresh pre-made buffer (50 % acetyl-nitrile, 50 % water, 0.3% formic acid) at a standard concentration of 25 mg/475 mcl buffer then fully homogenized on ice for and placed on dry ice/stored at - 80C Fraction of cardiac tissue weighed (25-50 mg wet weight), then the finely cut up tissue quickly added to fresh pre-made buffer (50 % acetyl-nitrile, 50 % water, 0.3% formic acid) at a standard concentration of 25 mg/475 mcl buffer then fully homogenized on ice for and placed on dry ice/stored at - 80C"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The samples were crash deprotonized by methanol precipitation and spiked with D27-deuterated myristic acid (D27-C14:0) as an internal standard for retention-time locking and dried. The trimethylsilyl-D27-C14:0 standard retention time (RT) was set at 16.727 min. Reactive carbonyls were stabilized at 50C with methoxyamine hydrochloride in dry pyridine. Metabolites were made volatile with TMS groups using N-methyl-N-(trimethylsilyl) trifluoroacetamide or MSTFA with catalytic trimethylchlorosilane at 50C. The samples were crash deprotonized by methanol precipitation and spiked with D27-deuterated myristic acid (D27-C14:0) as an internal standard for retention-time locking and dried. The trimethylsilyl-D27-C14:0 standard retention time (RT) was set at 16.727 min. Reactive carbonyls were stabilized at 50C with methoxyamine hydrochloride in dry pyridine. Metabolites were made volatile with TMS groups using N-methyl-N-(trimethylsilyl) trifluoroacetamide or MSTFA with catalytic trimethylchlorosilane at 50C."},

"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":"1,2-Propanediol","H1":"","H4":"","H8":"","H15":"","H19":"","H21":"14.21","H25":"","H30":"","H32":"","H34":"","H2":"11.61","H5":"13.61","H13":"14.45","H14":"13.66","H18":"13.81","H23":"13.47","H27":"","H28":"13.24","H36":"15.29","H39":"16.85","H3":"","H7":"13.23","H10":"13.07","H12":"14.72","H16":"13.70","H24":"15.32","H26":"","H33":"","H35":"13.61","H37":"15.26","H6":"","H9":"","H11":"12.32","H17":"","H20":"","H22":"","H29":"","H31":"14.50","H38":"11.75","H40":""},{"Metabolite":"2-Aminoadipic acid","H1":"19.37","H4":"17.97","H8":"18.80","H15":"19.56","H19":"19.41","H21":"19.68","H25":"19.66","H30":"18.98","H32":"19.53","H34":"19.70","H2":"19.50","H5":"19.27","H13":"19.23","H14":"19.42","H18":"19.67","H23":"19.62","H27":"19.80","H28":"19.82","H36":"19.38","H39":"19.74","H3":"18.79","H7":"19.74","H10":"19.30","H12":"19.42","H16":"19.30","H24":"19.77","H26":"19.19","H33":"","H35":"19.56","H37":"19.50","H6":"","H9":"19.04","H11":"19.30","H17":"19.38","H20":"19.52","H22":"19.70","H29":"","H31":"19.81","H38":"19.56","H40":"18.45"},{"Metabolite":"2-Hydroxypyridine","H1":"14.68","H4":"","H8":"13.79","H15":"14.64","H19":"14.57","H21":"14.67","H25":"14.90","H30":"14.55","H32":"14.65","H34":"14.81","H2":"14.62","H5":"14.61","H13":"14.52","H14":"14.68","H18":"14.47","H23":"14.90","H27":"14.95","H28":"15.02","H36":"14.87","H39":"14.90","H3":"13.84","H7":"14.58","H10":"14.39","H12":"14.48","H16":"14.46","H24":"14.86","H26":"14.53","H33":"","H35":"14.79","H37":"14.59","H6":"","H9":"14.41","H11":"14.41","H17":"14.58","H20":"14.46","H22":"14.66","H29":"","H31":"14.95","H38":"14.88","H40":"14.35"},{"Metabolite":"3-Phosphoglyceric acid","H1":"","H4":"","H8":"","H15":"12.58","H19":"","H21":"","H25":"","H30":"","H32":"","H34":"","H2":"","H5":"13.87","H13":"","H14":"","H18":"","H23":"","H27":"13.44","H28":"","H36":"13.62","H39":"","H3":"","H7":"13.34","H10":"13.89","H12":"13.97","H16":"","H24":"14.95","H26":"14.99","H33":"","H35":"","H37":"12.88","H6":"","H9":"","H11":"13.57","H17":"14.47","H20":"","H22":"","H29":"","H31":"14.21","H38":"13.43","H40":""},{"Metabolite":"Adenine","H1":"13.49","H4":"11.77","H8":"","H15":"12.99","H19":"13.29","H21":"12.60","H25":"13.05","H30":"12.86","H32":"12.99","H34":"","H2":"13.40","H5":"12.71","H13":"13.78","H14":"12.81","H18":"13.30","H23":"12.99","H27":"","H28":"12.85","H36":"12.82","H39":"13.08","H3":"","H7":"","H10":"","H12":"","H16":"","H24":"13.02","H26":"12.75","H33":"","H35":"","H37":"","H6":"","H9":"12.83","H11":"","H17":"","H20":"12.74","H22":"","H29":"","H31":"12.83","H38":"13.18","H40":""},{"Metabolite":"Adenosine","H1":"","H4":"","H8":"","H15":"","H19":"","H21":"","H25":"","H30":"","H32":"13.07","H34":"","H2":"","H5":"","H13":"","H14":"","H18":"","H23":"","H27":"","H28":"","H36":"","H39":"","H3":"","H7":"","H10":"13.40","H12":"16.90","H16":"","H24":"","H26":"","H33":"","H35":"17.64","H37":"","H6":"","H9":"","H11":"","H17":"","H20":"","H22":"","H29":"","H31":"14.64","H38":"","H40":""},{"Metabolite":"Adenosine-5-monophosphate","H1":"16.86","H4":"16.57","H8":"17.88","H15":"19.31","H19":"20.09","H21":"19.26","H25":"20.21","H30":"19.44","H32":"19.72","H34":"19.27","H2":"","H5":"18.97","H13":"19.66","H14":"18.83","H18":"19.72","H23":"18.85","H27":"20.60","H28":"20.66","H36":"20.51","H39":"20.66","H3":"","H7":"18.82","H10":"18.13","H12":"18.92","H16":"18.20","H24":"19.09","H26":"19.42","H33":"","H35":"19.48","H37":"19.42","H6":"","H9":"17.78","H11":"18.53","H17":"18.68","H20":"19.16","H22":"18.84","H29":"","H31":"19.05","H38":"20.48","H40":"17.74"},{"Metabolite":"Alanine","H1":"17.00","H4":"15.31","H8":"16.04","H15":"16.61","H19":"16.33","H21":"16.45","H25":"16.65","H30":"16.58","H32":"16.56","H34":"16.71","H2":"16.74","H5":"16.38","H13":"15.85","H14":"16.58","H18":"17.06","H23":"16.56","H27":"17.26","H28":"17.38","H36":"16.97","H39":"17.01","H3":"","H7":"16.64","H10":"15.95","H12":"16.53","H16":"15.63","H24":"17.48","H26":"15.85","H33":"","H35":"17.11","H37":"17.00","H6":"","H9":"16.10","H11":"16.05","H17":"15.87","H20":"16.41","H22":"15.81","H29":"","H31":"16.79","H38":"17.09","H40":"15.64"},{"Metabolite":"alpha-Monopalmitin","H1":"19.34","H4":"18.00","H8":"18.77","H15":"19.53","H19":"19.19","H21":"19.28","H25":"19.57","H30":"19.20","H32":"19.17","H34":"20.07","H2":"19.43","H5":"19.37","H13":"19.42","H14":"19.40","H18":"19.55","H23":"19.66","H27":"19.49","H28":"19.88","H36":"19.65","H39":"19.65","H3":"18.85","H7":"19.95","H10":"19.59","H12":"19.14","H16":"19.24","H24":"19.81","H26":"19.60","H33":"17.23","H35":"19.74","H37":"20.06","H6":"15.99","H9":"19.29","H11":"19.54","H17":"19.01","H20":"19.43","H22":"19.22","H29":"","H31":"19.89","H38":"19.61","H40":"18.96"},{"Metabolite":"alpha-Monostearin","H1":"22.23","H4":"20.70","H8":"21.70","H15":"22.36","H19":"22.07","H21":"22.13","H25":"22.44","H30":"22.00","H32":"22.07","H34":"22.81","H2":"22.38","H5":"22.02","H13":"22.34","H14":"22.16","H18":"22.45","H23":"22.01","H27":"22.27","H28":"22.77","H36":"22.41","H39":"22.63","H3":"21.66","H7":"22.77","H10":"22.34","H12":"21.99","H16":"22.15","H24":"22.65","H26":"22.37","H33":"20.22","H35":"22.48","H37":"22.84","H6":"19.11","H9":"22.14","H11":"22.40","H17":"22.03","H20":"22.25","H22":"22.20","H29":"15.66","H31":"22.69","H38":"22.38","H40":"21.90"},{"Metabolite":"alpha-Tocopherol","H1":"15.06","H4":"13.67","H8":"14.22","H15":"15.22","H19":"14.97","H21":"14.11","H25":"14.04","H30":"14.95","H32":"14.84","H34":"13.27","H2":"15.82","H5":"15.07","H13":"15.19","H14":"","H18":"15.04","H23":"13.24","H27":"","H28":"14.41","H36":"14.52","H39":"","H3":"13.86","H7":"14.33","H10":"12.72","H12":"14.75","H16":"13.02","H24":"13.52","H26":"","H33":"12.09","H35":"","H37":"13.64","H6":"","H9":"14.42","H11":"13.84","H17":"15.14","H20":"","H22":"13.92","H29":"","H31":"13.84","H38":"13.14","H40":"13.21"},{"Metabolite":"Arachidonic acid (also Eicosapentaenoic acid)","H1":"17.78","H4":"18.19","H8":"17.21","H15":"17.43","H19":"17.76","H21":"17.84","H25":"16.63","H30":"17.61","H32":"17.86","H34":"16.09","H2":"17.61","H5":"17.09","H13":"17.76","H14":"17.82","H18":"16.87","H23":"17.38","H27":"17.10","H28":"17.63","H36":"16.17","H39":"17.20","H3":"17.82","H7":"17.04","H10":"16.41","H12":"17.73","H16":"16.84","H24":"17.02","H26":"16.75","H33":"16.86","H35":"16.94","H37":"15.88","H6":"","H9":"17.17","H11":"16.39","H17":"17.11","H20":"16.65","H22":"17.57","H29":"","H31":"","H38":"16.68","H40":""},{"Metabolite":"Asparagine","H1":"16.24","H4":"","H8":"","H15":"","H19":"","H21":"16.52","H25":"16.08","H30":"","H32":"","H34":"","H2":"15.82","H5":"16.19","H13":"15.72","H14":"15.75","H18":"","H23":"16.75","H27":"","H28":"16.77","H36":"","H39":"16.20","H3":"","H7":"15.87","H10":"","H12":"","H16":"14.25","H24":"15.55","H26":"","H33":"","H35":"","H37":"","H6":"","H9":"","H11":"15.06","H17":"14.68","H20":"","H22":"15.56","H29":"","H31":"15.25","H38":"16.54","H40":""},{"Metabolite":"Aspartic 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"Metabolites":[{"Metabolite":"1,2-Propanediol","CAS":"57-55-6","Fiehn_reten_Index":"719.60"},{"Metabolite":"2-Aminoadipic acid","CAS":"542-32-5","Fiehn_reten_Index":"1370.13"},{"Metabolite":"2-Hydroxypyridine","CAS":"142-08-5","Fiehn_reten_Index":"745.31"},{"Metabolite":"3-Phosphoglyceric acid","CAS":"820-11-1","Fiehn_reten_Index":"1465.73"},{"Metabolite":"Adenine","CAS":"73-24-5","Fiehn_reten_Index":"1535.00"},{"Metabolite":"Adenosine","CAS":"58-61-7","Fiehn_reten_Index":"2242.20"},{"Metabolite":"Adenosine-5-monophosphate","CAS":"61-19-8","Fiehn_reten_Index":"2716.39"},{"Metabolite":"Alanine","CAS":"56-41-7","Fiehn_reten_Index":"793.90"},{"Metabolite":"alpha-Monopalmitin","CAS":"542-44-9","Fiehn_reten_Index":"2259.72"},{"Metabolite":"alpha-Monostearin","CAS":"123-94-4","Fiehn_reten_Index":"2449.46"},{"Metabolite":"alpha-Tocopherol","CAS":"10191-41-0","Fiehn_reten_Index":"2797.53"},{"Metabolite":"Arachidonic acid (also Eicosapentaenoic 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acid","CAS":"7664-38-2","Fiehn_reten_Index":"936.27"},{"Metabolite":"Proline","CAS":"147-85-3","Fiehn_reten_Index":"962.98"},{"Metabolite":"Pyrophosphate","CAS":"206-97-5","Fiehn_reten_Index":"1317.48"},{"Metabolite":"Pyruvic acid","CAS":"127-17-3","Fiehn_reten_Index":"759.66"},{"Metabolite":"Serine","CAS":"56-45-1","Fiehn_reten_Index":"1019.66"},{"Metabolite":"Siloxanes_R1","CAS":"","Fiehn_reten_Index":"706.64"},{"Metabolite":"Siloxanes_R2","CAS":"","Fiehn_reten_Index":"816.93"},{"Metabolite":"Siloxanes_R3","CAS":"","Fiehn_reten_Index":"966.05"},{"Metabolite":"Spermidine","CAS":"124-20-9","Fiehn_reten_Index":"1930.38"},{"Metabolite":"Spermine","CAS":"71-44-3","Fiehn_reten_Index":"2419.97"},{"Metabolite":"Squalene","CAS":"111-02-4","Fiehn_reten_Index":"2491.11"},{"Metabolite":"Stearamide","CAS":"124-26-5","Fiehn_reten_Index":"2119.94"},{"Metabolite":"Stearic acid","CAS":"57-11-4","Fiehn_reten_Index":"1920.57"},{"Metabolite":"Succinic acid","CAS":"110-15-6","Fiehn_reten_Index":"977.00"},{"Metabolite":"Sucrose and similar disaccharides","CAS":"57-50-1","Fiehn_reten_Index":"2305.44"},{"Metabolite":"Taurine","CAS":"107-35-7","Fiehn_reten_Index":"1330.99"},{"Metabolite":"Threonine","CAS":"72-19-5","Fiehn_reten_Index":"1044.44"},{"Metabolite":"Tyrosine","CAS":"60-18-4","Fiehn_reten_Index":"1606.26"}]
}

}