{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002825","ANALYSIS_ID":"AN004609","VERSION":"1","CREATED_ON":"August 22, 2023, 1:08 pm"},

"PROJECT":{"PROJECT_TITLE":"Brain Metabolomics in Fragile X-Associated Tremor/Ataxia Syndrome (FXTAS)","PROJECT_SUMMARY":"The course of pathophysiological mechanisms involved in fragile X-associated tremor/ataxia syndrome (FXTAS) remains largely unknown. Previous proteomics and metabolomics studies conducted in blood samples collected from FMR1 premutation carriers with FXTAS reported abnormalities in energy metabolism, and precursors of gluconeogenesis showed significant changes in plasma expression levels in FMR1 premutation carriers who developed FXTAS. We conducted an analysis of postmortem human brain tissues from 44 donors, 25 brains with FXTAS, and 19 matched controls. We quantified the metabolite relative abundance in the inferior temporal gyrus and the cerebellum using untargeted mass spectrometry (MS)-based metabolomics. We investigated how the metabolite type and abundance relate to the number of cytosine-guanine-guanine (CGG) repeats, to markers of neurodegeneration, and to the symptoms of FXTAS.","INSTITUTE":"UC Davis","LAST_NAME":"Martínez-Cerdeño","FIRST_NAME":"Verónica","ADDRESS":"2425 Stockton Blvd, 6th Floor, Sacramento, CA 95817","EMAIL":"vmartinezcerdeno@ucdavis.edu","PHONE":"916-453-2163"},

"STUDY":{"STUDY_TITLE":"Brain Metabolomics in Fragile X-Associated Tremor/Ataxia Syndrome (FXTAS)","STUDY_SUMMARY":"The course of pathophysiological mechanisms involved in fragile X-associated tremor/ataxia syndrome (FXTAS) remains largely unknown. Previous proteomics and metabolomics studies conducted in blood samples collected from FMR1 premutation carriers with FXTAS reported abnormalities in energy metabolism, and precursors of gluconeogenesis showed significant changes in plasma expression levels in FMR1 premutation carriers who developed FXTAS. We conducted an analysis of postmortem human brain tissues from 44 donors, 25 brains with FXTAS, and 19 matched controls. We quantified the metabolite relative abundance in the inferior temporal gyrus and the cerebellum using untargeted mass spectrometry (MS)-based metabolomics. We investigated how the metabolite type and abundance relate to the number of cytosine-guanine-guanine (CGG) repeats, to markers of neurodegeneration, and to the symptoms of FXTAS.","INSTITUTE":"UC Davis","LAST_NAME":"Martínez-Cerdeño","FIRST_NAME":"Verónica","ADDRESS":"2425 Stockton Blvd, 6th Floor, Sacramento, CA 95817","EMAIL":"vmartinezcerdeno@ucdavis.edu","PHONE":"916-453-2163"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
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"Sample ID":"1001-16-PF-CBL_057",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa23_1"}
},
{
"Subject ID":"-",
"Sample ID":"1002-18-WH-CBL_063",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa19_1"}
},
{
"Subject ID":"-",
"Sample ID":"1003-16-JSE-CBL_059",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa10_1"}
},
{
"Subject ID":"-",
"Sample ID":"1004-04-FS-CBL_040",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa29_1"}
},
{
"Subject ID":"-",
"Sample ID":"1004-16-SJ-CBL_061",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa02_1"}
},
{
"Subject ID":"-",
"Sample ID":"1004-19-EA-CBL_064",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa01_1"}
},
{
"Subject ID":"-",
"Sample ID":"1006-05-KW-CBL_043",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa21_1"}
},
{
"Subject ID":"-",
"Sample ID":"1007-05-HP-CBL_042",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa07_1"}
},
{
"Subject ID":"-",
"Sample ID":"1007-05-LL-CBL_038",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa05_1"}
},
{
"Subject ID":"-",
"Sample ID":"1008-20-RF-CBL_066",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa18_1"}
},
{
"Subject ID":"-",
"Sample ID":"1009-20-DJ-CBL_068",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa08_1"}
},
{
"Subject ID":"-",
"Sample ID":"1015-09-DK-CBL_051",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa14_1"}
},
{
"Subject ID":"-",
"Sample ID":"1018-08-EB-CBL_047",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa23_1"}
},
{
"Subject ID":"-",
"Sample ID":"1030-09-MM-CBL_053",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa44_1"}
},
{
"Subject ID":"-",
"Sample ID":"1041-08-IM-CBL_049",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa02_1"}
},
{
"Subject ID":"-",
"Sample ID":"1046-10-MR-CBL_055",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa11_1"}
},
{
"Subject ID":"-",
"Sample ID":"105-03-AG-CBL_034",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa24_2"}
},
{
"Subject ID":"-",
"Sample ID":"1052-08-WS-CBL_045",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa11_1"}
},
{
"Subject ID":"-",
"Sample ID":"1060-07-RS-CBL_071",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa33_1"}
},
{
"Subject ID":"-",
"Sample ID":"334-04-KC-CBL_036",
"Factors":{"treatment":"CBL - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa20_1"}
},
{
"Subject ID":"-",
"Sample ID":"249276-CBL_024",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa40_1"}
},
{
"Subject ID":"-",
"Sample ID":"249277-CBL_016",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa13_1"}
},
{
"Subject ID":"-",
"Sample ID":"249278-CBL_031",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa22_1"}
},
{
"Subject ID":"-",
"Sample ID":"249279-CBL_014",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa22_1"}
},
{
"Subject ID":"-",
"Sample ID":"249280-CBL_020",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa01_1"}
},
{
"Subject ID":"-",
"Sample ID":"249283-CBL_026",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa26_1"}
},
{
"Subject ID":"-",
"Sample ID":"249284-CBL_017",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa15_1"}
},
{
"Subject ID":"-",
"Sample ID":"249285-CBL_022",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa03_1"}
},
{
"Subject ID":"-",
"Sample ID":"249290-CBL_028",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa16_1"}
},
{
"Subject ID":"-",
"Sample ID":"249296-CBL_033",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa43_1"}
},
{
"Subject ID":"-",
"Sample ID":"3642-CBL_006",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa45_1"}
},
{
"Subject ID":"-",
"Sample ID":"3651-CBL_010",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa28_1"}
},
{
"Subject ID":"-",
"Sample ID":"5511-CBL_012",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa34_1"}
},
{
"Subject ID":"-",
"Sample ID":"5657-CBL_008",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa04_1"}
},
{
"Subject ID":"-",
"Sample ID":"UCD-17-13-CBL_001",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa39_1"}
},
{
"Subject ID":"-",
"Sample ID":"UCD-18-04-CBL_002",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa13_1"}
},
{
"Subject ID":"-",
"Sample ID":"UCD-18-05-CBL_003",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa41_1"}
},
{
"Subject ID":"-",
"Sample ID":"UCD-18-06-CBL_004",
"Factors":{"treatment":"CBL - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa09_1"}
},
{
"Subject ID":"-",
"Sample ID":"1001-16-PF-ITG_058",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa46_1"}
},
{
"Subject ID":"-",
"Sample ID":"1002-18-WH-ITG_070",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa06_1"}
},
{
"Subject ID":"-",
"Sample ID":"1003-16-JSE-ITG_060",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa19_1"}
},
{
"Subject ID":"-",
"Sample ID":"1004-04-FS-ITG_041",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa25_1"}
},
{
"Subject ID":"-",
"Sample ID":"1004-16-SJ-ITG_062",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa08_1"}
},
{
"Subject ID":"-",
"Sample ID":"1004-19-EA-ITG_065",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa21_1"}
},
{
"Subject ID":"-",
"Sample ID":"1006-05-KW-ITG_044",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa32_1"}
},
{
"Subject ID":"-",
"Sample ID":"1006-20-MS-ITG_073",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa27_1"}
},
{
"Subject ID":"-",
"Sample ID":"1007-05-HP-ITG_074",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa42_1"}
},
{
"Subject ID":"-",
"Sample ID":"1007-05-LL-ITG_039",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa16_2"}
},
{
"Subject ID":"-",
"Sample ID":"1008-20-RF-ITG_067",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa14_1"}
},
{
"Subject ID":"-",
"Sample ID":"1009-20-DJ-ITG_069",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa07_1"}
},
{
"Subject ID":"-",
"Sample ID":"1015-09-DK-ITG_052",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa35_1"}
},
{
"Subject ID":"-",
"Sample ID":"1018-08-EB-ITG_048",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa17_1"}
},
{
"Subject ID":"-",
"Sample ID":"1030-09-MM-ITG_054",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa17_1"}
},
{
"Subject ID":"-",
"Sample ID":"1041-08-IM-ITG_050",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa36_1"}
},
{
"Subject ID":"-",
"Sample ID":"1046-10-MR-ITG_056",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa06_1"}
},
{
"Subject ID":"-",
"Sample ID":"105-03-AG-ITG_035",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa24_1"}
},
{
"Subject ID":"-",
"Sample ID":"1052-08-WS-ITG_046",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa18_1"}
},
{
"Subject ID":"-",
"Sample ID":"1060-07-RS-ITG_072",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa12_1"}
},
{
"Subject ID":"-",
"Sample ID":"334-04-KC-ITG_037",
"Factors":{"treatment":"ITG BA20 - cases"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa37_1"}
},
{
"Subject ID":"-",
"Sample ID":"249281-BA20_032",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa20_1"}
},
{
"Subject ID":"-",
"Sample ID":"249282-BA20_018",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa30_1"}
},
{
"Subject ID":"-",
"Sample ID":"249286-BA20_019",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa10_1"}
},
{
"Subject ID":"-",
"Sample ID":"249287-BA20_015",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa38_1"}
},
{
"Subject ID":"-",
"Sample ID":"249288-BA20_029",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa03_1"}
},
{
"Subject ID":"-",
"Sample ID":"249289-BA20_027",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa05_1"}
},
{
"Subject ID":"-",
"Sample ID":"249291-BA20_013",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa48_1"}
},
{
"Subject ID":"-",
"Sample ID":"249292-BA20_023",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa12_1"}
},
{
"Subject ID":"-",
"Sample ID":"249293-BA20_1140-BA20_030",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa49_1"}
},
{
"Subject ID":"-",
"Sample ID":"249294-BA20_021",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa15_1"}
},
{
"Subject ID":"-",
"Sample ID":"249295-BA20_025",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa47_1"}
},
{
"Subject ID":"-",
"Sample ID":"3642-BA20_005",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa50_1"}
},
{
"Subject ID":"-",
"Sample ID":"3651-BA20_009",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa04_1"}
},
{
"Subject ID":"-",
"Sample ID":"5511-BA20_011",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa09_1"}
},
{
"Subject ID":"-",
"Sample ID":"5657-BA20_007",
"Factors":{"treatment":"ITG BA20 - controls"},
"Additional sample data":{"RAW_FILE_NAME":"220603bKCsa31_1"}
},
{
"Subject ID":"-",
"Sample ID":"Pool_01",
"Factors":{"treatment":"Cecal - Pool"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa25_1"}
},
{
"Subject ID":"-",
"Sample ID":"Pool_02",
"Factors":{"treatment":"Cecal - Pool"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa26_1"}
},
{
"Subject ID":"-",
"Sample ID":"Pool_03",
"Factors":{"treatment":"Cecal - Pool"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa27_1"}
},
{
"Subject ID":"-",
"Sample ID":"Pool_04",
"Factors":{"treatment":"Cecal - Pool"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa28_1"}
},
{
"Subject ID":"-",
"Sample ID":"Pool_05",
"Factors":{"treatment":"Cecal - Pool"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa29_1"}
},
{
"Subject ID":"-",
"Sample ID":"Pool_06",
"Factors":{"treatment":"Cecal - Pool"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa30_1"}
},
{
"Subject ID":"-",
"Sample ID":"Pool_07",
"Factors":{"treatment":"Cecal - Pool"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa31_1"}
},
{
"Subject ID":"-",
"Sample ID":"Pool_08",
"Factors":{"treatment":"Cecal - Pool"},
"Additional sample data":{"RAW_FILE_NAME":"220604bKCsa32_1"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"frozen samples","SAMPLE_TYPE":"Brain"},

"TREATMENT":{"TREATMENT_SUMMARY":"NA"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"SOP GCMS-02252019"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 7890","COLUMN_NAME":"Restek Rtx-5Sil MS (30m x 0.25mm, 0.25um)","SOLVENT_A":"NA","SOLVENT_B":"NA","FLOW_GRADIENT":"NA","FLOW_RATE":"1 mL/min","COLUMN_TEMPERATURE":"NA"},

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

"MS":{"INSTRUMENT_NAME":"Leco Pegasus IV TOF","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"Mass spectrometer settings: A Leco Pegasus IV time of flight mass spectrometer is controlled by the Leco ChromaTOF software vs. 2.32 (St. Joseph, MI). The transfer line temperature between gas chromatograph and mass spectrometer is set to 280°C. Electron impact ionization at 70V is employed with an ion source temperature of 250°C. Acquisition rate is 17 spectra/second, with a scan mass range of 85-500 Da."},

"MS_METABOLITE_DATA":{
"Units":"normalized peak heights",

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