{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002382","ANALYSIS_ID":"AN003881","VERSION":"1","CREATED_ON":"December 1, 2022, 8:15 pm"},

"PROJECT":{"PROJECT_TITLE":"Deep multi-omic profiling reveals extensive mitochondrial remodeling driven by glycemia in early diabetic kidney disease","PROJECT_SUMMARY":"Changes in mitochondrial energy metabolism are thought to be central to the development of diabetic kidney disease (DKD); however, whether this response is explicitly driven by systemic glucose concentrations remains unknown. Here, we show that titrating blood glucose concentrations in vivo directly impacts mitochondrial morphology and bioenergetics and remodels the mitochondrial proteome in the kidney in early DKD. Mitoproteomic analysis revealed profound metabolic disturbances induced by severe hyperglycemia, including upregulation of enzymes involved in the TCA cycle and fatty acid metabolism, enhanced ketogenesis as well as extensive dysregulation of the mitochondrial SLC25 carrier family. The metabolite and lipid landscape were perturbed by severe hyperglycemia; untargeted metabolomics and lipidomics confirmed the enrichment of TCA cycle metabolites, an increase in triglyceride concentrations, and extensive and specific cardiolipin remodeling. Lowering blood glucose to moderate hyperglycemia stabilized all three omic landscapes, partially prevented changes in mitochondrial morphology and bioenergetics, and improved kidney injury. This study provides insights into altered substrate utilization and energy generation in the kidney early in diabetes, during moderate and severe hyperglycemia and has implications for therapeutic strategies aiming at the reinvigoration of mitochondrial function and signaling in diabetes.","INSTITUTE":"The University of Melbourne","LAST_NAME":"Caruana","FIRST_NAME":"Nikeisha","ADDRESS":"30 Flemington Rd, Parkville VIC, Melbourne, Victoria, 3052, Australia","EMAIL":"nikeisha.caruana@unimelb.edu.au","PHONE":"8344 2219"},

"STUDY":{"STUDY_TITLE":"Deep multi-omic profiling reveals extensive mitochondrial remodeling driven by glycemia in early diabetic kidney disease","STUDY_SUMMARY":"Changes in mitochondrial energy metabolism are thought to be central to the development of diabetic kidney disease (DKD); however, whether this response is explicitly driven by systemic glucose concentrations remains unknown. Here, we show that titrating blood glucose concentrations in vivo directly impacts mitochondrial morphology and bioenergetics and remodels the mitochondrial proteome in the kidney in early DKD. Mitoproteomic analysis revealed profound metabolic disturbances induced by severe hyperglycemia, including upregulation of enzymes involved in the TCA cycle and fatty acid metabolism, enhanced ketogenesis as well as extensive dysregulation of the mitochondrial SLC25 carrier family. The metabolite and lipid landscape were perturbed by severe hyperglycemia; untargeted metabolomics and lipidomics confirmed the enrichment of TCA cycle metabolites, an increase in triglyceride concentrations, and extensive and specific cardiolipin remodeling. Lowering blood glucose to moderate hyperglycemia stabilized all three omic landscapes, partially prevented changes in mitochondrial morphology and bioenergetics, and improved kidney injury. This study provides insights into altered substrate utilization and energy generation in the kidney early in diabetes, during moderate and severe hyperglycemia and has implications for therapeutic strategies aiming at the reinvigoration of mitochondrial function and signaling in diabetes.","INSTITUTE":"The University of Melbourne","LAST_NAME":"Caruana","FIRST_NAME":"Nikeisha","ADDRESS":"30 Flemington Rd, Parkville VIC 3052","EMAIL":"nikeisha.caruana@unimelb.edu.au","PHONE":"0383442219"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Rattus norvegicus","TAXONOMY_ID":"10116"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"CG_701",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_701_UNK-0006_21062019_4.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_704",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_704_UNK-0004_21062019_2.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_710",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_710_UNK-0010_21062019_8.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_711",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_711_UNK-0005_21062019_3.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_712",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_712_UNK-0007_21062019_5.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_713",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_713_UNK-0015_21062019_13.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_714",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_714_UNK-0017_21062019_15.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_715",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_715_UNK-0009_21062019_7.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_716",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_716_UNK-0012_21062019_10.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_717",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_717_UNK-0016_21062019_14.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_719",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_719_UNK-0011_21062019_9.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_720",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_720_UNK-0020_21062019_18.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_722",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_722_UNK-0022_21062019_20.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_723",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_723_UNK-0018_21062019_16.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_724",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_724_UNK-0027_21062019_25.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_725",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_725_UNK-0029_21062019_27.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_726",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_726_UNK-0021_21062019_19.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_727",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_727_UNK-0023_21062019_21.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_728",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_728_UNK-0031_21062019_29.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_730",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_730_UNK-0026_21062019_24.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_731",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_731_UNK-0033_21062019_31.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_732",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_732_UNK-0037_21062019_35.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_733",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_733_UNK-0043_21062019_41.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_734",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_734_UNK-0028_21062019_26.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_737",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_737_UNK-0032_21062019_30.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_739",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_739_UNK-0034_21062019_32.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_740",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_740_UNK-0038_21062019_36.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_744",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_744_UNK-0039_21062019_37.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_745",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_745_UNK-0045_21062019_43.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CGrerun_746",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_746_rerun_UNK-0049_24062019_3.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_746",
"Factors":{"Treatment":"SHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_746_UNK-0049_21062019_47.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_748",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_748_UNK-0042_21062019_40.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_749",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_749_UNK-0044_21062019_42.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CGrerun_752",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_752_rerun_UNK-0050_24062019_4.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_752",
"Factors":{"Treatment":"MHG"},
"Additional sample data":{"RAW_FILE_NAME":"CG_752_UNK-0050_21062019_48.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_753",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_753_UNK-0040_21062019_38.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CGrerun_754",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_754_rerun_UNK-0048_24062019_2.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_754",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_754_UNK-0048_21062019_46.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CGrerun_755",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_755_rerun_UNK-0051_24062019_5.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"CG_755",
"Factors":{"Treatment":"CTRL"},
"Additional sample data":{"RAW_FILE_NAME":"CG_755_UNK-0051_21062019_49.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0054_2",
"Factors":{"Treatment":"blank"},
"Additional sample data":{"RAW_FILE_NAME":"10_UNK-0054_24062019_8.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0013_3",
"Factors":{"Treatment":"blank"},
"Additional sample data":{"RAW_FILE_NAME":"Hexane blank 3_UNK-0013_21062019_11.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0024_4",
"Factors":{"Treatment":"blank"},
"Additional sample data":{"RAW_FILE_NAME":"Hexane blank 4_UNK-0024_21062019_22.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0035_5",
"Factors":{"Treatment":"blank"},
"Additional sample data":{"RAW_FILE_NAME":"Hexane blank 5_UNK-0035_21062019_33.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0046_6",
"Factors":{"Treatment":"blank"},
"Additional sample data":{"RAW_FILE_NAME":"Hexane blank 6_UNK-0046_21062019_44.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0053_7",
"Factors":{"Treatment":"blank"},
"Additional sample data":{"RAW_FILE_NAME":"Hexane blank 7_UNK-0053_21062019_51.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0054_8",
"Factors":{"Treatment":"blank"},
"Additional sample data":{"RAW_FILE_NAME":"Hexane blank 8_UNK-0054_21062019_52.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0053_9",
"Factors":{"Treatment":"blank"},
"Additional sample data":{"RAW_FILE_NAME":"Hexane blank 9_UNK-0053_24062019_7.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0003",
"Factors":{"Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"PBQC01_UNK-0003_21062019_1.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0008",
"Factors":{"Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"PBQC02_UNK-0008_21062019_6.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0014",
"Factors":{"Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"PBQC03_UNK-0014_21062019_12.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0019",
"Factors":{"Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"PBQC04_UNK-0019_21062019_17.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0025",
"Factors":{"Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"PBQC05_UNK-0025_21062019_23.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0030",
"Factors":{"Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"PBQC06_UNK-0030_21062019_28.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0036",
"Factors":{"Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"PBQC07_UNK-0036_21062019_34.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0041",
"Factors":{"Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"PBQC08_UNK-0041_21062019_39.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0047_rerun",
"Factors":{"Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"PBQC09_rerun_UNK-0047_24062019_1.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0047",
"Factors":{"Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"PBQC09_UNK-0047_21062019_45.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0052_rerun",
"Factors":{"Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"PBQC10_rerun_UNK-0052_24062019_6.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"UNK-0052",
"Factors":{"Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"PBQC10_UNK-0052_21062019_50.mzXML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Metabolite extraction was carried out as previously described (96). Briefly, ~20-30 mg of kidney cortex was homogenized under cryogenic conditions in cryomill tubes containing beads for homogenization (Precellys bead-mill with a Cryolys attachment, Bertin Technologies, France) and 600 mL of 3:1 methanol:water (v/v) containing 0.5 nmol 13C6-sorbitol and 5 nmol 13C5,15N-valine as internal standards. Homogenates (480 mL) were subsequently vortexed in fresh Eppendorf tubes containing 120 ml chloroform. The resultant extracts were centrifuged to pellet cell debris and precipitated protein. The supernatant was used for subsequent analysis. In addition, an aliquot from each sample was pooled and re-aliquoted to generate pooled biological quality controls (PBQC). Samples and PBQCs were evaporated dry by speed vacuum centrifugation and then derivatized online using the Shimadzu AOC6000 autosampler robot with methoxyamine hydrochloride (30 mg/mL in pyridine) and N, O - bis (trimethylsilyl) trifluoroacetamide [BSTFA] + 1% chlorotrimethylsilane [TMCS] (both Thermo Fisher Scientific, Waltham, USA). Samples were left for 1 h before 1 µL was injected onto the GC column using a hot needle technique. Split (1:10) injections were performed for each sample.","SAMPLE_TYPE":"Kidney"},

"TREATMENT":{"TREATMENT_SUMMARY":"Male Sprague Dawley rats were housed in groups of three rats per cage in a temperature-controlled environment, with a 12 h light/dark cycle and ad libitum access to food and water. Experimental diabetes was induced in six week old male Sprague Dawley rats (200-250 g, n = 35) by i.v. injection of streptozotocin (55 mg/kg, sodium citrate buffer pH 4.5) following an overnight fast, as previously described (80). One group of rats received citrate buffer vehicle (0.42% in sterile saline, pH 4.5) as a non-diabetic control with normal blood glucose (NG) (n = 16). One week following STZ treatment, diabetic rats were further assigned to two groups: standard insulin therapy (n = 17 rats), resulting in severe hyperglycemia (SHG) and intensive insulin therapy (n = 19 rats), resulting in moderate hyperglycemia (MHG) using a single daily insulin injection (long-lasting Humulin NPH; Eli Lilly, Indianapolis, USA) to titrate blood glucose levels to >28 mM (1-2 units, s.c. per day) and ∼20 mM (6-7 units, s.c. per day) as required, respectively. Blood glucose and body weight were monitored weekly. Blood glucose was measured using a handheld glucometer (Accutrend; Boehringer Manheim Biochemica, Manheim, Germany) during the study time course. After the completion of the study, plasma glucose was measured using a colorimetric glucose assay kit from Cayman Chemical Company (Ann Arbor, MI, USA), performed according to the manufacturer’s instructions. Hemoglobin A1c (HbA1c) was determined by a Cobas Integra 400 autoanalyzer (Roche Diagnostics Corporation, USA). Plasma C-peptide was determined using a commercially available ELISA kit (Alpco, Salem, NH, USA) according to the manufacturer’s instructions. In the final week of the study, rats were placed individually into metabolic cages (Iffa Credo, L’Arbresele, France) for 24 hours to collect urine."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The GC-MS system consisted of an AOC6000 autosampler, a 2030 Shimadzu gas chromatograph and a TQ8040 quadrupole mass spectrometer (Shimadzu, Japan), which was tuned according to the manufacturer’s recommendations using tris-(perfluorobutyl)-amine (CF43). GC-MS was performed on a 30 m Agilent DB-5 column with 1 µm film thickness and 0.25 mm internal diameter. The injection temperature (Inlet) and the MS transfer line were both set at 280°C and the ion source adjusted to 200°C. Helium was used as the carrier gas at a flow rate of 1 mL/min and argon gas was used as the collision cell gas to generate the multiple reaction monitoring (MRM) product ion. The analysis was performed under the following temperature program; start at injection 100°C, a hold for 4 minutes followed by a 10°C min-1 oven temperature ramp to 320°C followed by a final hold off of 11 minutes. Approximately 520 quantifying MRM targets were collected using Shimadzu Smart Database along with qualifier for each target, which covers about 350 endogenous metabolites and multiple 13C labelled internal standards. Both chromatograms and MRMs were evaluated using the Shimadzu GCMS browser and LabSolutions Insight software."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Shimadzu 2030","COLUMN_NAME":"Agilent DB5-MS (30m x 0.25mm, 0.25um)"},

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

"MS":{"INSTRUMENT_NAME":"Shimazu TQ8040","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"The GC-MS system consisted of an AOC6000 autosampler, a 2030 Shimadzu gas chromatograph and a TQ8040 quadrupole mass spectrometer (Shimadzu, Japan), which was tuned according to the manufacturer’s recommendations using tris-(perfluorobutyl)-amine (CF43). GC-MS was performed on a 30 m Agilent DB-5 column with 1 µm film thickness and 0.25 mm internal diameter. The injection temperature (Inlet) and the MS transfer line were both set at 280°C and the ion source adjusted to 200°C. Helium was used as the carrier gas at a flow rate of 1 mL/min and argon gas was used as the collision cell gas to generate the multiple reaction monitoring (MRM) product ion. The analysis was performed under the following temperature program; start at injection 100°C, a hold for 4 minutes followed by a 10°C min-1 oven temperature ramp to 320°C followed by a final hold off of 11 minutes. Approximately 520 quantifying MRM targets were collected using Shimadzu Smart Database along with qualifier for each target, which covers about 350 endogenous metabolites and multiple 13C labelled internal standards. Both chromatograms and MRMs were evaluated using the Shimadzu GCMS browser and LabSolutions Insight software."},

"MS_METABOLITE_DATA":{
"Units":"Peak area",

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"Metabolites":[{"metabolite_name":"Xylitol-5TMS"},{"metabolite_name":"Xanthosine-5TMS"},{"metabolite_name":"Xanthine-3TMS"},{"metabolite_name":"Valine-d8-2TMS"},{"metabolite_name":"Valine-2TMS"},{"metabolite_name":"Uridine-3TMS"},{"metabolite_name":"Uric acid-4TMS"},{"metabolite_name":"Urea-2TMS"},{"metabolite_name":"Uracil-2TMS"},{"metabolite_name":"Tyrosine-3TMS"},{"metabolite_name":"Tyramine-3TMS"},{"metabolite_name":"Tryptophan-3TMS"},{"metabolite_name":"Triethanolamine-3TMS"},{"metabolite_name":"Thymine-2TMS"},{"metabolite_name":"Threonine-3TMS"},{"metabolite_name":"Threonic acid-4TMS"},{"metabolite_name":"Threitol-4TMS"},{"metabolite_name":"Taurine-3TMS"},{"metabolite_name":"Taurine-13C2-3TMS"},{"metabolite_name":"Tartaric acid-4TMS"},{"metabolite_name":"Sucrose-8TMS"},{"metabolite_name":"Succinic acid-2TMS"},{"metabolite_name":"Stearic acid-TMS"},{"metabolite_name":"Spermine-6TMS"},{"metabolite_name":"Spermidine-5TMS"},{"metabolite_name":"Sorbitol-6TMS"},{"metabolite_name":"Serine-3TMS"},{"metabolite_name":"Sarcosine-d3-2TMS"},{"metabolite_name":"Ribose 5-phosphate-meto-5TMS(2)"},{"metabolite_name":"Ribose 5-phosphate-meto-5TMS(1)"},{"metabolite_name":"Ribonolactone-3TMS"},{"metabolite_name":"Ribitol-5TMS"},{"metabolite_name":"Pyruvic acid-oxime-2TMS"},{"metabolite_name":"Pyruvic acid-meto-TMS"},{"metabolite_name":"Pyridoxamine-3TMS"},{"metabolite_name":"Putrescine-4TMS"},{"metabolite_name":"Proline-2TMS"},{"metabolite_name":"Pimelic acid-2TMS"},{"metabolite_name":"Phosphoric acid-3TMS"},{"metabolite_name":"Phenylalanine-2TMS"},{"metabolite_name":"Pantothenic acid-3TMS"},{"metabolite_name":"Palmitoleic acid-TMS"},{"metabolite_name":"Palmitic acid-TMS"},{"metabolite_name":"Oxalic acid-2TMS"},{"metabolite_name":"Oxalic acid-13C2-2TMS"},{"metabolite_name":"Oxalacetic acid-3TMS"},{"metabolite_name":"Ornithine-4TMS"},{"metabolite_name":"Ornithine-3TMS"},{"metabolite_name":"Oleic acid-TMS"},{"metabolite_name":"Oleamide-TMS"},{"metabolite_name":"Octopamine-4TMS"},{"metabolite_name":"Octanoic acid-TMS"},{"metabolite_name":"O-Phosphoethanolamine-4TMS"},{"metabolite_name":"O-Phosphoethanolamine-3TMS"},{"metabolite_name":"O-Acetylserine-2TMS"},{"metabolite_name":"Nonanoic acid-TMS"},{"metabolite_name":"Nicotinic acid-TMS"},{"metabolite_name":"Niacinamide-TMS"},{"metabolite_name":"N-Butyrylglycine-TMS"},{"metabolite_name":"N-Butyrylglycine-2TMS"},{"metabolite_name":"N-Acetylserine-2TMS"},{"metabolite_name":"N-Acetylneuraminic acid-meto-7TMS (2)"},{"metabolite_name":"N-Acetylneuraminic acid-7TMS"},{"metabolite_name":"N-Acetylmannosamine-meto-4TMS(2)"},{"metabolite_name":"N-Acetylmannosamine-meto-4TMS(1)"},{"metabolite_name":"N-Acetylglutamine-3TMS"},{"metabolite_name":"N-Acetylgalactosamine-meto-5TMS"},{"metabolite_name":"N-Acetylgalactosamine-meto-4TMS (2)"},{"metabolite_name":"N-Acetylgalactosamine-meto-4TMS (1)"},{"metabolite_name":"N-Acetyl-Ornithine-4TMS"},{"metabolite_name":"N-Acetyl-L-alanine-TMS"},{"metabolite_name":"N-Acetyl-L-alanine-2TMS"},{"metabolite_name":"N-Acetyl-D-glucosamine-meto-5TMS"},{"metabolite_name":"N-Acetyl-D-glucosamine-meto-4TMS (1)"},{"metabolite_name":"Myristic acid-TMS"},{"metabolite_name":"Monostearin-2TMS"},{"metabolite_name":"Methylsuccinic acid-2TMS"},{"metabolite_name":"Methylmalonic acid-2TMS"},{"metabolite_name":"Methionine-2TMS"},{"metabolite_name":"Methionine sulfone-2TMS"},{"metabolite_name":"meso-Erythritol-4TMS"},{"metabolite_name":"Mesaconic acid-2TMS"},{"metabolite_name":"Menadione-meto (2)"},{"metabolite_name":"Menadione-meto (1)"},{"metabolite_name":"Margaric acid-TMS"},{"metabolite_name":"Mannitol-6TMS"},{"metabolite_name":"Malic acid-3TMS"},{"metabolite_name":"Malic acid-13C4-3TMS"},{"metabolite_name":"Maleic acid-2TMS"},{"metabolite_name":"Lysine-4TMS"},{"metabolite_name":"Lysine-3TMS"},{"metabolite_name":"Linoleic acid-TMS"},{"metabolite_name":"Leucine-2TMS"},{"metabolite_name":"Lauric acid-TMS"},{"metabolite_name":"Lathosterol-TMS"},{"metabolite_name":"Lactitol-9TMS"},{"metabolite_name":"Lactic acid-13C3-2TMS"},{"metabolite_name":"Kynurenine-d6-3TMS"},{"metabolite_name":"Isoleucine-2TMS"},{"metabolite_name":"Isocitric acid-4TMS"},{"metabolite_name":"Isobutyrylglycine-TMS"},{"metabolite_name":"Inositol-6TMS(2)"},{"metabolite_name":"Inositol phosphate-7TMS"},{"metabolite_name":"Inosine-4TMS"},{"metabolite_name":"Indol-3-acetic acid-TMS"},{"metabolite_name":"Hypoxanthine-2TMS"},{"metabolite_name":"Hypotaurine-3TMS"},{"metabolite_name":"Hydroxylamine-3TMS"},{"metabolite_name":"Homoserine-3TMS"},{"metabolite_name":"Homocystine-4TMS"},{"metabolite_name":"Homocysteine-3TMS"},{"metabolite_name":"Hippuric acid-TMS"},{"metabolite_name":"Hippuric acid-2TMS"},{"metabolite_name":"Hexanoylglycine-2TMS"},{"metabolite_name":"Guanosine-5TMS"},{"metabolite_name":"Guanine-3TMS"},{"metabolite_name":"Glyoxylic acid-meto-TMS"},{"metabolite_name":"Glycyl-Glycine-4TMS"},{"metabolite_name":"Glycolic acid-2TMS"},{"metabolite_name":"Glycine-3TMS"},{"metabolite_name":"Glycine-2TMS"},{"metabolite_name":"Glycerol-3TMS"},{"metabolite_name":"Glycerol 3-phosphate-4TMS"},{"metabolite_name":"Glycerol 2-phosphate-4TMS"},{"metabolite_name":"Glyceric acid-3TMS"},{"metabolite_name":"Glyceraldehyde 3-phosphate-meto-3TMS(2)"},{"metabolite_name":"Glyceraldehyde 3-phosphate-meto-3TMS(1)"},{"metabolite_name":"Glutathione-nTMS"},{"metabolite_name":"Glutaric acid-2TMS"},{"metabolite_name":"Glutamine-4TMS"},{"metabolite_name":"Glutamine-3TMS"},{"metabolite_name":"Glutamic acid-3TMS"},{"metabolite_name":"Glutamic acid 5-methylester-2TMS"},{"metabolite_name":"Glucuronic acid-meto-5TMS(2)"},{"metabolite_name":"Glucuronic acid-meto-5TMS(1)"},{"metabolite_name":"Glucose-meto-5TMS(2)"},{"metabolite_name":"Glucose-meto-5TMS(1)"},{"metabolite_name":"Glucose 6-phosphate-meto-6TMS(1)"},{"metabolite_name":"Glucosamine-5TMS(1)"},{"metabolite_name":"Gluconic acid-6TMS"},{"metabolite_name":"Glucaric acid-6TMS"},{"metabolite_name":"Galacturonic acid-meto-5TMS(2)"},{"metabolite_name":"Galactitol-6TMS"},{"metabolite_name":"Fumaric acid-2TMS"},{"metabolite_name":"Fucose-meto-4TMS(2)"},{"metabolite_name":"Fucose-meto-4TMS(1)"},{"metabolite_name":"Fructose-meto-5TMS(1)"},{"metabolite_name":"Fructose 1-phosphate-meto-6TMS(2)"},{"metabolite_name":"Ethylmalonic acid-2TMS"},{"metabolite_name":"Elaidic acid-TMS"},{"metabolite_name":"Eicosapentaenoic acid-TMS"},{"metabolite_name":"Dopamine-4TMS"},{"metabolite_name":"Dopamine-3TMS"},{"metabolite_name":"Dopa-4TMS"},{"metabolite_name":"Docosapentaenoic acid-TMS"},{"metabolite_name":"Docosahexaenoic acid-TMS"},{"metabolite_name":"Dimethylglycine-TMS"},{"metabolite_name":"Dihydroxyacetone-meto-2TMS"},{"metabolite_name":"Dihydroxyacetone phosphate-meto-3TMS(2)"},{"metabolite_name":"Dihydrouracil-2TMS"},{"metabolite_name":"Decanoic acid-TMS"},{"metabolite_name":"Cytosine-2TMS"},{"metabolite_name":"Cystine-4TMS"},{"metabolite_name":"Cysteine-3TMS"},{"metabolite_name":"Cystathionine-4TMS"},{"metabolite_name":"Creatinine-3TMS"},{"metabolite_name":"Citric acid-d4-4TMS"},{"metabolite_name":"Citric acid-4TMS"},{"metabolite_name":"Citramalic acid-3TMS"},{"metabolite_name":"Catechol-2TMS"},{"metabolite_name":"Caproic acid-TMS"},{"metabolite_name":"Cadaverine-3TMS"},{"metabolite_name":"Benzoic acid-TMS"},{"metabolite_name":"Azelaic acid-2TMS"},{"metabolite_name":"Aspartic acid-d3-3TMS"},{"metabolite_name":"Aspartic acid-3TMS"},{"metabolite_name":"Asparagine-3TMS"},{"metabolite_name":"Ascorbic acid-4TMS"},{"metabolite_name":"Arginine-3TMS"},{"metabolite_name":"Arachidonic acid-TMS"},{"metabolite_name":"Arabitol-5TMS"},{"metabolite_name":"Arabinose-meto-4TMS"},{"metabolite_name":"alpha-Glucose 1,6-bisphosphate-7TMS"},{"metabolite_name":"Allantoin-4TMS"},{"metabolite_name":"Adipic acid-2TMS"},{"metabolite_name":"Adenosine-4TMS"},{"metabolite_name":"Adenosine monophosphate-5TMS"},{"metabolite_name":"Adenine-2TMS"},{"metabolite_name":"Aconitic acid-3TMS"},{"metabolite_name":"Acetylglycine-2TMS"},{"metabolite_name":"Acetoacetic acid-meto-TMS"},{"metabolite_name":"Acetoacetic acid-2TMS(2)"},{"metabolite_name":"Acetoacetic acid-2TMS(1)"},{"metabolite_name":"5'-Methylthioadenosine-3TMS"},{"metabolite_name":"5'-Methylthioadenosine-2TMS"},{"metabolite_name":"5-Oxoproline-2TMS"},{"metabolite_name":"5-Methoxytryptamine-3TMS"},{"metabolite_name":"5-Methoxytryptamine-2TMS"},{"metabolite_name":"5-Aminovaleric acid-3TMS"},{"metabolite_name":"4-Hydroxyproline-3TMS"},{"metabolite_name":"4-Hydroxyphenylacetic acid-2TMS"},{"metabolite_name":"4-Aminobutyric acid-3TMS"},{"metabolite_name":"3-Sulfinoalanine-3TMS"},{"metabolite_name":"3-Phosphoglyceric acid-4TMS"},{"metabolite_name":"3-Phenyllactic acid-2TMS"},{"metabolite_name":"3-Hydroxypropionic acid-2TMS"},{"metabolite_name":"3-Hydroxyisovaleric acid-2TMS"},{"metabolite_name":"3-Hydroxyisobutyric acid-2TMS"},{"metabolite_name":"3-Hydroxyglutaric acid-3TMS"},{"metabolite_name":"3-Hydroxyanthranilic acid-2TMS"},{"metabolite_name":"3-Hydroxy-3-methylglutaric acid-3TMS"},{"metabolite_name":"3-Aminopropanoic acid-3TMS"},{"metabolite_name":"3-Aminopropanoic acid-2TMS"},{"metabolite_name":"3-Aminoisobutyric acid-2TMS"},{"metabolite_name":"3-Aminoglutaric acid-3TMS"},{"metabolite_name":"3-Aminoglutaric acid-2TMS"},{"metabolite_name":"2,3-Bisphosphoglyceric acid-5TMS"},{"metabolite_name":"2-Phosphoglyceric acid -4TMS"},{"metabolite_name":"2-Methyl-3-hydroxybutyric acid-2TMS(2)"},{"metabolite_name":"2-Methyl-3-hydroxybutyric acid-2TMS(1)"},{"metabolite_name":"2-Ketoisocaproic acid-meto-TMS(2)"},{"metabolite_name":"2-Ketoglutaric acid-meto-2TMS"},{"metabolite_name":"2-Ketoadipic acid-meto-2TMS(2)"},{"metabolite_name":"2-Ketoadipic acid-meto-2TMS(1)"},{"metabolite_name":"2-Hydroxyisovaleric acid-2TMS"},{"metabolite_name":"2-Hydroxyisobutyric acid-2TMS"},{"metabolite_name":"2-Hydroxyglutaric acid-3TMS"},{"metabolite_name":"2-Hydroxybutyric acid-2TMS"},{"metabolite_name":"2-Deoxy-glucose-4TMS(2)"},{"metabolite_name":"2-Deoxy-glucose-4TMS(1)"},{"metabolite_name":"2-Aminopimelic acid-3TMS"},{"metabolite_name":"2-Aminooctanoic acid-TMS"},{"metabolite_name":"2-Aminoisobutyric acid-2TMS"},{"metabolite_name":"2-Aminoethanol-3TMS"},{"metabolite_name":"2-Aminoethanol-2TMS"},{"metabolite_name":"2-Aminobutyric acid-2TMS"},{"metabolite_name":"2-Aminoadipic acid-3TMS"},{"metabolite_name":"13C6-Sorbitol"},{"metabolite_name":"13C6-Leucine"},{"metabolite_name":"13C5,15N1-Valine"},{"metabolite_name":"13C3-Alanine"},{"metabolite_name":"1,5-13C2-Citric acid"},{"metabolite_name":"1,2-13C2-Myristic acid"},{"metabolite_name":"1-Hexadecanol-TMS"},{"metabolite_name":"1,5-Anhydro-glucitol-4TMS"},{"metabolite_name":"Itaconic acid-2TMS"}]
}

}