{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000912","ANALYSIS_ID":"AN001482","VERSION":"1","CREATED_ON":"January 4, 2018, 11:18 am"},

"PROJECT":{"PROJECT_TITLE":"Insights into the pathogenesis of myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) through metabolomic profiling of cerebrospinal fluid","PROJECT_SUMMARY":"Myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) is a disabling illness characterized by six months or more of unexplained profound fatigue with post-exertional malaise, sleep abnormalities, cognitive dysfunction and autonomic disturbances. Focusing on the pathogenesis of central nervous system abnormalities in ME/CFS, we pursued metabolomics analysis of cerebrospinal fluid (CSF) in 32 ME/CFS cases, 40 subjects with multiple sclerosis (MS), another fatiguing illness, and 19 healthy subjects with no neurological disease (ND). MS/ND subjects were frequency matched for age and sex to ME/CFS subjects. Three untargeted metabolomic assays for primary metabolites, biogenic amines and complex lipids were performed with gas chromatography time-of-flight (GC-TOF) and liquid chromatography–tandem mass spectrometry (LC-MS/MS) yielding profiles for 525 known metabolites. Mannose was a cardinal biomarker in ME/CFS subjects with reduced levels in ME/CFS compared to both MS and ND subjects. Levels of acetylcarnitine were reduced in ME/CFS vs. MS subjects. The predictive power of metabolomic analysis for diagnosis of ME/CFS vs. ND was higher (cross-validated AUC 0.875; 95% CI: 0.726~0.949) than with cytokine analysis alone (cross-validated AUC 0.865; 95% CI: 0.673~0.952) and improved with integration of both metabolomics and cytokine analyses (cross-validated AUC 0.916; 95% CI: 0.791~0.969). Our findings confirm the biological basis of ME/CFS, and may enable new methods for diagnosis and insight into cognitive and autonomic disturbances in this syndrome.","INSTITUTE":"Columbia University","DEPARTMENT":"Center for Infection and Immunity, Mailman School of Public Health","LAST_NAME":"Lipkin","FIRST_NAME":"Ian","ADDRESS":"722 West 168th Street, Room 1703a, New York, NY USA 10032","EMAIL":"wil2001@columbia.edu","PHONE":"212-342-9044"},

"STUDY":{"STUDY_TITLE":"Insights into the pathogenesis of myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) through metabolomic profiling of cerebrospinal fluid","STUDY_SUMMARY":"Myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) is a disabling illness characterized by six months or more of unexplained profound fatigue with post-exertional malaise, sleep abnormalities, cognitive dysfunction and autonomic disturbances. Focusing on the pathogenesis of central nervous system abnormalities in ME/CFS, we pursued metabolomics analysis of cerebrospinal fluid (CSF) in 32 ME/CFS cases, 40 subjects with multiple sclerosis (MS), another fatiguing illness, and 19 healthy subjects with no neurological disease (ND). MS/ND subjects were frequency matched for age and sex to ME/CFS subjects. Three untargeted metabolomic assays for primary metabolites, biogenic amines and complex lipids were performed with gas chromatography time-of-flight (GC-TOF) and liquid chromatography–tandem mass spectrometry (LC-MS/MS) yielding profiles for 525 known metabolites. Mannose was a cardinal biomarker in ME/CFS subjects with reduced levels in ME/CFS compared to both MS and ND subjects. Levels of acetylcarnitine were reduced in ME/CFS vs. MS subjects. The predictive power of metabolomic analysis for diagnosis of ME/CFS vs. ND was higher (cross-validated AUC 0.875; 95% CI: 0.726~0.949) than with cytokine analysis alone (cross-validated AUC 0.865; 95% CI: 0.673~0.952) and improved with integration of both metabolomics and cytokine analyses (cross-validated AUC 0.916; 95% CI: 0.791~0.969). Our findings confirm the biological basis of ME/CFS, and may enable new methods for diagnosis and insight into cognitive and autonomic disturbances in this syndrome.","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, CA 95616","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"DPCSF0106",
"Sample ID":"Lipkin024_negCSH_DPCSF0106_108.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"49"}
},
{
"Subject ID":"DPCSF0146",
"Sample ID":"Lipkin056_negCSH_DPCSF0146_105.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"58"}
},
{
"Subject ID":"DPCSF0426",
"Sample ID":"Lipkin001_negCSH_DPCSF0426_003.d",
"Factors":{"Diagnosis":"MECFS","Sex":"MALE"},
"Additional sample data":{"Age":"23"}
},
{
"Subject ID":"DPCSF0614",
"Sample ID":"Lipkin089_negCSH_DPCSF0614_035.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"51"}
},
{
"Subject ID":"DPCSF0747",
"Sample ID":"Lipkin042_negCSH_DPCSF0747_027.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"42"}
},
{
"Subject ID":"DPCSF0828",
"Sample ID":"Lipkin034_negCSH_DPCSF0828_031.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"36"}
},
{
"Subject ID":"DPCSF0868",
"Sample ID":"Lipkin104_negCSH_DPCSF0868_089.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"50"}
},
{
"Subject ID":"DPCSF0909",
"Sample ID":"Lipkin102_negCSH_DPCSF0909_078.d",
"Factors":{"Diagnosis":"MS","Sex":"MALE"},
"Additional sample data":{"Age":"54"}
},
{
"Subject ID":"DPCSF1041",
"Sample ID":"Lipkin027_negCSH_DPCSF1041_058.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"47"}
},
{
"Subject ID":"DPCSF1174",
"Sample ID":"Lipkin118_negCSH_DPCSF1174_023.d",
"Factors":{"Diagnosis":"MS","Sex":"MALE"},
"Additional sample data":{"Age":"34"}
},
{
"Subject ID":"DPCSF1215",
"Sample ID":"Lipkin055_negCSH_DPCSF1215_019.d",
"Factors":{"Diagnosis":"ND","Sex":"MALE"},
"Additional sample data":{"Age":"60"}
},
{
"Subject ID":"DPCSF1281",
"Sample ID":"Lipkin084_negCSH_DPCSF1281_053.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"57"}
},
{
"Subject ID":"DPCSF1495",
"Sample ID":"Lipkin074_negCSH_DPCSF1495_036.d",
"Factors":{"Diagnosis":"MECFS","Sex":"MALE"},
"Additional sample data":{"Age":"53"}
},
{
"Subject ID":"DPCSF1576",
"Sample ID":"Lipkin071_negCSH_DPCSF1576_044.d",
"Factors":{"Diagnosis":"MECFS","Sex":"MALE"},
"Additional sample data":{"Age":"62"}
},
{
"Subject ID":"DPCSF1815",
"Sample ID":"Lipkin014_negCSH_DPCSF1815_122.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"51"}
},
{
"Subject ID":"DPCSF1870",
"Sample ID":"Lipkin109_negCSH_DPCSF1870_082.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"60"}
},
{
"Subject ID":"DPCSF1896",
"Sample ID":"Lipkin046_negCSH_DPCSF1896_029.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"43"}
},
{
"Subject ID":"DPCSF2029",
"Sample ID":"Lipkin020_negCSH_DPCSF2029_041.d",
"Factors":{"Diagnosis":"MS","Sex":"MALE"},
"Additional sample data":{"Age":"54"}
},
{
"Subject ID":"DPCSF2110",
"Sample ID":"Lipkin092_negCSH_DPCSF2110_119.d",
"Factors":{"Diagnosis":"ND","Sex":"MALE"},
"Additional sample data":{"Age":"47"}
},
{
"Subject ID":"DPCSF2216",
"Sample ID":"Lipkin003_negCSH_DPCSF2216_007.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"61"}
},
{
"Subject ID":"DPCSF2603",
"Sample ID":"Lipkin066_negCSH_DPCSF2603_048.d",
"Factors":{"Diagnosis":"MECFS","Sex":"MALE"},
"Additional sample data":{"Age":"18"}
},
{
"Subject ID":"DPCSF2710",
"Sample ID":"Lipkin108_negCSH_DPCSF2710_064.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"51"}
},
{
"Subject ID":"DPCSF2750",
"Sample ID":"Lipkin038_negCSH_DPCSF2750_120.d",
"Factors":{"Diagnosis":"ND","Sex":"MALE"},
"Additional sample data":{"Age":"46"}
},
{
"Subject ID":"DPCSF2924",
"Sample ID":"Lipkin059_negCSH_DPCSF2924_118.d",
"Factors":{"Diagnosis":"ND","Sex":"MALE"},
"Additional sample data":{"Age":"60"}
},
{
"Subject ID":"DPCSF2938",
"Sample ID":"Lipkin110_negCSH_DPCSF2938_066.d",
"Factors":{"Diagnosis":"MECFS","Sex":"MALE"},
"Additional sample data":{"Age":"53"}
},
{
"Subject ID":"DPCSF3137",
"Sample ID":"Lipkin063_negCSH_DPCSF3137_060.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"46"}
},
{
"Subject ID":"DPCSF3152",
"Sample ID":"Lipkin120_negCSH_DPCSF3152_084.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"41"}
},
{
"Subject ID":"DPCSF3285",
"Sample ID":"Lipkin037_negCSH_DPCSF3285_072.d",
"Factors":{"Diagnosis":"MECFS","Sex":"MALE"},
"Additional sample data":{"Age":"58"}
},
{
"Subject ID":"DPCSF3310",
"Sample ID":"Lipkin039_negCSH_DPCSF3310_047.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"34"}
},
{
"Subject ID":"DPCSF3605",
"Sample ID":"Lipkin051_negCSH_DPCSF3605_116.d",
"Factors":{"Diagnosis":"ND","Sex":"MALE"},
"Additional sample data":{"Age":"57"}
},
{
"Subject ID":"DPCSF3671",
"Sample ID":"Lipkin019_negCSH_DPCSF3671_034.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"58"}
},
{
"Subject ID":"DPCSF3686",
"Sample ID":"Lipkin087_negCSH_DPCSF3686_093.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"29"}
},
{
"Subject ID":"DPCSF3712",
"Sample ID":"Lipkin069_negCSH_DPCSF3712_009.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"56"}
},
{
"Subject ID":"DPCSF3752",
"Sample ID":"Lipkin016_negCSH_DPCSF3752_069.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"48"}
},
{
"Subject ID":"DPCSF4165",
"Sample ID":"Lipkin119_negCSH_DPCSF4165_101.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"35"}
},
{
"Subject ID":"DPCSF4353",
"Sample ID":"Lipkin097_negCSH_DPCSF4353_065.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"44"}
},
{
"Subject ID":"DPCSF4592",
"Sample ID":"Lipkin007_negCSH_DPCSF4592_121.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"47"}
},
{
"Subject ID":"DPCSF4633",
"Sample ID":"Lipkin049_negCSH_DPCSF4633_104.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"48"}
},
{
"Subject ID":"DPCSF4927",
"Sample ID":"Lipkin031_negCSH_DPCSF4927_074.d",
"Factors":{"Diagnosis":"MS","Sex":"MALE"},
"Additional sample data":{"Age":"53"}
},
{
"Subject ID":"DPCSF5274",
"Sample ID":"Lipkin052_negCSH_DPCSF5274_054.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"35"}
},
{
"Subject ID":"DPCSF5395",
"Sample ID":"Lipkin033_negCSH_DPCSF5395_077.d",
"Factors":{"Diagnosis":"MS","Sex":"MALE"},
"Additional sample data":{"Age":"41"}
},
{
"Subject ID":"DPCSF5421",
"Sample ID":"Lipkin064_negCSH_DPCSF5421_088.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"42"}
},
{
"Subject ID":"DPCSF5447",
"Sample ID":"Lipkin035_negCSH_DPCSF5447_011.d",
"Factors":{"Diagnosis":"MS","Sex":"MALE"},
"Additional sample data":{"Age":"44"}
},
{
"Subject ID":"DPCSF5502",
"Sample ID":"Lipkin076_negCSH_DPCSF5502_070.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"46"}
},
{
"Subject ID":"DPCSF5981",
"Sample ID":"Lipkin078_negCSH_DPCSF5981_073.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"63"}
},
{
"Subject ID":"DPCSF6088",
"Sample ID":"Lipkin057_negCSH_DPCSF6088_055.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"36"}
},
{
"Subject ID":"DPCSF6128",
"Sample ID":"Lipkin036_negCSH_DPCSF6128_115.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"60"}
},
{
"Subject ID":"DPCSF6143",
"Sample ID":"Lipkin044_negCSH_DPCSF6143_067.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"60"}
},
{
"Subject ID":"DPCSF6448",
"Sample ID":"Lipkin100_negCSH_DPCSF6448_016.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"51"}
},
{
"Subject ID":"DPCSF6529",
"Sample ID":"Lipkin004_negCSH_DPCSF6529_083.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"55"}
},
{
"Subject ID":"DPCSF6555",
"Sample ID":"Lipkin113_negCSH_DPCSF6555_107.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"59"}
},
{
"Subject ID":"DPCSF6688",
"Sample ID":"Lipkin099_negCSH_DPCSF6688_062.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"46"}
},
{
"Subject ID":"DPCSF6728",
"Sample ID":"Lipkin067_negCSH_DPCSF6728_056.d",
"Factors":{"Diagnosis":"MS","Sex":"MALE"},
"Additional sample data":{"Age":"37"}
},
{
"Subject ID":"DPCSF6765",
"Sample ID":"Lipkin041_negCSH_DPCSF6765_032.d",
"Factors":{"Diagnosis":"MECFS","Sex":"MALE"},
"Additional sample data":{"Age":"30"}
},
{
"Subject ID":"DPCSF6769",
"Sample ID":"Lipkin116_negCSH_DPCSF6769_051.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"45"}
},
{
"Subject ID":"DPCSF6890",
"Sample ID":"Lipkin011_negCSH_DPCSF6890_090.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"50"}
},
{
"Subject ID":"DPCSF6902",
"Sample ID":"Lipkin106_negCSH_DPCSF6902_103.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"38"}
},
{
"Subject ID":"DPCSF7023",
"Sample ID":"Lipkin045_negCSH_DPCSF7023_091.d",
"Factors":{"Diagnosis":"MS","Sex":"MALE"},
"Additional sample data":{"Age":"53"}
},
{
"Subject ID":"DPCSF7115",
"Sample ID":"Lipkin098_negCSH_DPCSF7115_106.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"44"}
},
{
"Subject ID":"DPCSF7263",
"Sample ID":"Lipkin093_negCSH_DPCSF7263_094.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"54"}
},
{
"Subject ID":"DPCSF7318",
"Sample ID":"Lipkin029_negCSH_DPCSF7318_087.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"42"}
},
{
"Subject ID":"DPCSF7329",
"Sample ID":"Lipkin086_negCSH_DPCSF7329_006.d",
"Factors":{"Diagnosis":"MS","Sex":"MALE"},
"Additional sample data":{"Age":"39"}
},
{
"Subject ID":"DPCSF7410",
"Sample ID":"Lipkin090_negCSH_DPCSF7410_043.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"55"}
},
{
"Subject ID":"DPCSF7476",
"Sample ID":"Lipkin077_negCSH_DPCSF7476_001.d",
"Factors":{"Diagnosis":"MECFS","Sex":"MALE"},
"Additional sample data":{"Age":"51"}
},
{
"Subject ID":"DPCSF7598",
"Sample ID":"Lipkin048_negCSH_DPCSF7598_086.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"39"}
},
{
"Subject ID":"DPCSF7638",
"Sample ID":"Lipkin081_negCSH_DPCSF7638_068.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"52"}
},
{
"Subject ID":"DPCSF7664",
"Sample ID":"Lipkin050_negCSH_DPCSF7664_076.d",
"Factors":{"Diagnosis":"MS","Sex":"MALE"},
"Additional sample data":{"Age":"43"}
},
{
"Subject ID":"DPCSF7756",
"Sample ID":"Lipkin005_negCSH_DPCSF7756_002.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"54"}
},
{
"Subject ID":"DPCSF7797",
"Sample ID":"Lipkin114_negCSH_DPCSF7797_045.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"37"}
},
{
"Subject ID":"DPCSF7863",
"Sample ID":"Lipkin072_negCSH_DPCSF7863_071.d",
"Factors":{"Diagnosis":"MECFS","Sex":"MALE"},
"Additional sample data":{"Age":"57"}
},
{
"Subject ID":"DPCSF7877",
"Sample ID":"Lipkin030_negCSH_DPCSF7877_079.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"44"}
},
{
"Subject ID":"DPCSF7944",
"Sample ID":"Lipkin105_negCSH_DPCSF7944_046.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"54"}
},
{
"Subject ID":"DPCSF7970",
"Sample ID":"Lipkin053_negCSH_DPCSF7970_102.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"29"}
},
{
"Subject ID":"DPCSF8065",
"Sample ID":"Lipkin028_negCSH_DPCSF8065_085.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"52"}
},
{
"Subject ID":"DPCSF8183",
"Sample ID":"Lipkin094_negCSH_DPCSF8183_080.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"41"}
},
{
"Subject ID":"DPCSF8371",
"Sample ID":"Lipkin080_negCSH_DPCSF8371_014.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"68"}
},
{
"Subject ID":"DPCSF8397",
"Sample ID":"Lipkin117_negCSH_DPCSF8397_025.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"44"}
},
{
"Subject ID":"DPCSF8478",
"Sample ID":"Lipkin032_negCSH_DPCSF8478_008.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"43"}
},
{
"Subject ID":"DPCSF8692",
"Sample ID":"Lipkin091_negCSH_DPCSF8692_015.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"44"}
},
{
"Subject ID":"DPCSF8732",
"Sample ID":"Lipkin065_negCSH_DPCSF8732_075.d",
"Factors":{"Diagnosis":"MS","Sex":"MALE"},
"Additional sample data":{"Age":"51"}
},
{
"Subject ID":"DPCSF8824",
"Sample ID":"Lipkin068_negCSH_DPCSF8824_081.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"53"}
},
{
"Subject ID":"DPCSF8865",
"Sample ID":"Lipkin043_negCSH_DPCSF8865_117.d",
"Factors":{"Diagnosis":"ND","Sex":"MALE"},
"Additional sample data":{"Age":"55"}
},
{
"Subject ID":"DPCSF9012",
"Sample ID":"Lipkin107_negCSH_DPCSF9012_005.d",
"Factors":{"Diagnosis":"MECFS","Sex":"MALE"},
"Additional sample data":{"Age":"45"}
},
{
"Subject ID":"DPCSF9145",
"Sample ID":"Lipkin010_negCSH_DPCSF9145_018.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"40"}
},
{
"Subject ID":"DPCSF9226",
"Sample ID":"Lipkin096_negCSH_DPCSF9226_039.d",
"Factors":{"Diagnosis":"MECFS","Sex":"FEMALE"},
"Additional sample data":{"Age":"57"}
},
{
"Subject ID":"DPCSF9292",
"Sample ID":"Lipkin101_negCSH_DPCSF9292_037.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"36"}
},
{
"Subject ID":"DPCSF9332",
"Sample ID":"Lipkin009_negCSH_DPCSF9332_017.d",
"Factors":{"Diagnosis":"ND","Sex":"FEMALE"},
"Additional sample data":{"Age":"51"}
},
{
"Subject ID":"DPCSF9506",
"Sample ID":"Lipkin023_negCSH_DPCSF9506_013.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"46"}
},
{
"Subject ID":"DPCSF9627",
"Sample ID":"Lipkin075_negCSH_DPCSF9627_092.d",
"Factors":{"Diagnosis":"MS","Sex":"FEMALE"},
"Additional sample data":{"Age":"38"}
},
{
"Subject ID":"DPCSF9719",
"Sample ID":"Lipkin018_negCSH_DPCSF9719_033.d",
"Factors":{"Diagnosis":"MS","Sex":"MALE"},
"Additional sample data":{"Age":"54"}
},
{
"Subject ID":"DPCSF9826",
"Sample ID":"Lipkin103_negCSH_DPCSF9826_042.d",
"Factors":{"Diagnosis":"MECFS","Sex":"MALE"},
"Additional sample data":{"Age":"47"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"CSF samples obtained from lumbar punctures were retrieved from bio-repositories at Sierra Internal Medicine (SIM) and Wisconsin Viral Research Group (WVRG). These biobank specimens were collected over time and maintained at -80°C.","SAMPLE_TYPE":"CSF"},

"TREATMENT":{"TREATMENT_SUMMARY":"3 groups: 32 ME/CFS cases (11 men, 21 women) 59 comparator/control subjects (18 men, 41 women), including: 40 subjects with multiple sclerosis (MS) 19 subjects with non-infectious/non-inflammatory conditions (ND)"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"1) Thaw each 100 μL CSF aliquot at room temperature (see Aliquoting TEDDY samples SOP). Once thawed (~10min) place CSF plasma samples on ice. 2) Add 225 μL cold “MeOH with QC mix” (see SOP “QC mix for LC-MS lipid analysis”). Keep MeOH on ice during extraction 3) Vortex each sample for 10s, keeping the rest on ice during all the extraction. 4) Add 750 μL of cold MTBE with 22:1 CE, keep MTBE on ice during extraction 5) Vortex for 10s 6) Shake for 6min at 4°C in the orbital mixer. 7) Add 188 μL room temperature LC/MS grade water. 8) Vortex for 20 s 9) Centrifuge for 2 min @ 14,000 rcf (12300 rpm) 10) Remove supernatant (upper phase), splitting into two aliquots of 300 μL, keeping one at –20°C for backup 11) Dry samples to complete dryness in the speed vacuum concentration system"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 6530","COLUMN_NAME":"Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) 1.7um Pre-Column","FLOW_GRADIENT":"15% B to 99% B","FLOW_RATE":"0.6 mL/min","COLUMN_TEMPERATURE":"65 C","METHODS_FILENAME":"Data Dictionary Fiehn laboratory_CSH QTOF lipidomics_05-29-2014.pdf","SOLVENT_A":"60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid","SOLVENT_B":"9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid","COLUMN_PRESSURE":"450-850 bar","INJECTION_TEMPERATURE":"4 C","INTERNAL_STANDARD":"See data dictionary","RETENTION_TIME":"See data dictionary","SAMPLE_INJECTION":"5.0 uL","ANALYTICAL_TIME":"13 min","CAPILLARY_VOLTAGE":"3500 eV","OVEN_TEMPERATURE":"50°C for 1 min, then ramped at 20°C/min to 330°C, held constant for 5 min","TIME_PROGRAM":"15 min","WASHING_BUFFER":"Ethyl Acetate","WEAK_WASH_SOLVENT_NAME":"Isopropanol","STRONG_WASH_SOLVENT_NAME":"Isopropanol","TARGET_SAMPLE_TEMPERATURE":"Autosampler temp 4 C","SAMPLE_LOOP_SIZE":"30 m length x 0.25 mm internal diameter","RANDOMIZATION_ORDER":"Excel generated"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6530 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","CAPILLARY_VOLTAGE":"3500 eV","COLLISION_ENERGY":"40 eV","COLLISION_GAS":"Nitrogen","DRY_GAS_FLOW":"13 L/min","DRY_GAS_TEMP":"200 C","FRAGMENT_VOLTAGE":"175 eV","FRAGMENTATION_METHOD":"Auto MS/MS","ION_SOURCE_TEMPERATURE":"325 C","ION_SPRAY_VOLTAGE":"1000","IONIZATION":"Neg","MASS_ACCURACY":"Accurate","REAGENT_GAS":"Nitrogen","SOURCE_TEMPERATURE":"325 C","DATAFORMAT":".d","DESOLVATION_GAS_FLOW":"11 L/min","DESOLVATION_TEMPERATURE":"350 C","NEBULIZER":"35 psig","OCTPOLE_VOLTAGE":"750 eV","RESOLUTION_SETTING":"Extended Dyamic Range","SCAN_RANGE_MOVERZ":"60-1700 Da","SCANNING_CYCLE":"2 Hz","SCANNING_RANGE":"60-1700 Da","SKIMMER_VOLTAGE":"65"},

"MS_METABOLITE_DATA":{
"Units":"Counts",

"Data":[{"Metabolite":"1_Ceramide (d18:1/17:0) iSTD","Lipkin077_negCSH_DPCSF7476_001.d":"688816","Lipkin005_negCSH_DPCSF7756_002.d":"453560","Lipkin103_negCSH_DPCSF9826_042.d":"468439","Lipkin001_negCSH_DPCSF0426_003.d":"623683","Lipkin107_negCSH_DPCSF9012_005.d":"663499","Lipkin086_negCSH_DPCSF7329_006.d":"535371","Lipkin003_negCSH_DPCSF2216_007.d":"512724","Lipkin032_negCSH_DPCSF8478_008.d":"629096","Lipkin069_negCSH_DPCSF3712_009.d":"563995","Lipkin035_negCSH_DPCSF5447_011.d":"752183","Lipkin023_negCSH_DPCSF9506_013.d":"693740","Lipkin080_negCSH_DPCSF8371_014.d":"774362","Lipkin091_negCSH_DPCSF8692_015.d":"660096","Lipkin100_negCSH_DPCSF6448_016.d":"559693","Lipkin009_negCSH_DPCSF9332_017.d":"562904","Lipkin010_negCSH_DPCSF9145_018.d":"764884","Lipkin055_negCSH_DPCSF1215_019.d":"494930","Lipkin118_negCSH_DPCSF1174_023.d":"699939","Lipkin117_negCSH_DPCSF8397_025.d":"569021","Lipkin042_negCSH_DPCSF0747_027.d":"646833","Lipkin046_negCSH_DPCSF1896_029.d":"587476","Lipkin034_negCSH_DPCSF0828_031.d":"678330","Lipkin041_negCSH_DPCSF6765_032.d":"639962","Lipkin018_negCSH_DPCSF9719_033.d":"688479","Lipkin019_negCSH_DPCSF3671_034.d":"776917","Lipkin089_negCSH_DPCSF0614_035.d":"730720","Lipkin074_negCSH_DPCSF1495_036.d":"771432","Lipkin101_negCSH_DPCSF9292_037.d":"687494","Lipkin096_negCSH_DPCSF9226_039.d":"653239","Lipkin020_negCSH_DPCSF2029_041.d":"562832","Lipkin090_negCSH_DPCSF7410_043.d":"568633","Lipkin071_negCSH_DPCSF1576_044.d":"565333","Lipkin114_negCSH_DPCSF7797_045.d":"647289","Lipkin105_negCSH_DPCSF7944_046.d":"588320","Lipkin039_negCSH_DPCSF3310_047.d":"591098","Lipkin066_negCSH_DPCSF2603_048.d":"611414","Lipkin116_negCSH_DPCSF6769_051.d":"496834","Lipkin084_negCSH_DPCSF1281_053.d":"537343","Lipkin052_negCSH_DPCSF5274_054.d":"601477","Lipkin057_negCSH_DPCSF6088_055.d":"620307","Lipkin067_negCSH_DPCSF6728_056.d":"421102","Lipkin027_negCSH_DPCSF1041_058.d":"584471","Lipkin063_negCSH_DPCSF3137_060.d":"485226","Lipkin099_negCSH_DPCSF6688_062.d":"549605","Lipkin108_negCSH_DPCSF2710_064.d":"637056","Lipkin097_negCSH_DPCSF4353_065.d":"496006","Lipkin110_negCSH_DPCSF2938_066.d":"593405","Lipkin044_negCSH_DPCSF6143_067.d":"641555","Lipkin081_negCSH_DPCSF7638_068.d":"627775","Lipkin016_negCSH_DPCSF3752_069.d":"538259","Lipkin076_negCSH_DPCSF5502_070.d":"582536","Lipkin072_negCSH_DPCSF7863_071.d":"568336","Lipkin037_negCSH_DPCSF3285_072.d":"577311","Lipkin078_negCSH_DPCSF5981_073.d":"616340","Lipkin031_negCSH_DPCSF4927_074.d":"560342","Lipkin065_negCSH_DPCSF8732_075.d":"580267","Lipkin050_negCSH_DPCSF7664_076.d":"552064","Lipkin033_negCSH_DPCSF5395_077.d":"584734","Lipkin102_negCSH_DPCSF0909_078.d":"572689","Lipkin030_negCSH_DPCSF7877_079.d":"527635","Lipkin094_negCSH_DPCSF8183_080.d":"650282","Lipkin068_negCSH_DPCSF8824_081.d":"682343","Lipkin109_negCSH_DPCSF1870_082.d":"755274","Lipkin004_negCSH_DPCSF6529_083.d":"582005","Lipkin120_negCSH_DPCSF3152_084.d":"622753","Lipkin028_negCSH_DPCSF8065_085.d":"614702","Lipkin048_negCSH_DPCSF7598_086.d":"645746","Lipkin029_negCSH_DPCSF7318_087.d":"653978","Lipkin064_negCSH_DPCSF5421_088.d":"688187","Lipkin104_negCSH_DPCSF0868_089.d":"696549","Lipkin011_negCSH_DPCSF6890_090.d":"554148","Lipkin045_negCSH_DPCSF7023_091.d":"695673","Lipkin075_negCSH_DPCSF9627_092.d":"759277","Lipkin087_negCSH_DPCSF3686_093.d":"675770","Lipkin093_negCSH_DPCSF7263_094.d":"660626","Lipkin119_negCSH_DPCSF4165_101.d":"499586","Lipkin053_negCSH_DPCSF7970_102.d":"646836","Lipkin106_negCSH_DPCSF6902_103.d":"574667","Lipkin049_negCSH_DPCSF4633_104.d":"606109","Lipkin056_negCSH_DPCSF0146_105.d":"610474","Lipkin098_negCSH_DPCSF7115_106.d":"571629","Lipkin113_negCSH_DPCSF6555_107.d":"588937","Lipkin024_negCSH_DPCSF0106_108.d":"579176","Lipkin036_negCSH_DPCSF6128_115.d":"641296","Lipkin051_negCSH_DPCSF3605_116.d":"718485","Lipkin043_negCSH_DPCSF8865_117.d":"641574","Lipkin059_negCSH_DPCSF2924_118.d":"617963","Lipkin092_negCSH_DPCSF2110_119.d":"570412","Lipkin038_negCSH_DPCSF2750_120.d":"627967","Lipkin007_negCSH_DPCSF4592_121.d":"465109","Lipkin014_negCSH_DPCSF1815_122.d":"529974"},{"Metabolite":"1_CUDA iSTD","Lipkin077_negCSH_DPCSF7476_001.d":"79819","Lipkin005_negCSH_DPCSF7756_002.d":"68805","Lipkin103_negCSH_DPCSF9826_042.d":"77198","Lipkin001_negCSH_DPCSF0426_003.d":"82270","Lipkin107_negCSH_DPCSF9012_005.d":"89418","Lipkin086_negCSH_DPCSF7329_006.d":"79488","Lipkin003_negCSH_DPCSF2216_007.d":"74611","Lipkin032_negCSH_DPCSF8478_008.d":"83580","Lipkin069_negCSH_DPCSF3712_009.d":"77760","Lipkin035_negCSH_DPCSF5447_011.d":"87723","Lipkin023_negCSH_DPCSF9506_013.d":"87614","Lipkin080_negCSH_DPCSF8371_014.d":"83964","Lipkin091_negCSH_DPCSF8692_015.d":"81622","Lipkin100_negCSH_DPCSF6448_016.d":"79344","Lipkin009_negCSH_DPCSF9332_017.d":"84752","Lipkin010_negCSH_DPCSF9145_018.d":"90301","Lipkin055_negCSH_DPCSF1215_019.d":"86648","Lipkin118_negCSH_DPCSF1174_023.d":"89869","Lipkin117_negCSH_DPCSF8397_025.d":"85416","Lipkin042_negCSH_DPCSF0747_027.d":"78441","Lipkin046_negCSH_DPCSF1896_029.d":"85763","Lipkin034_negCSH_DPCSF0828_031.d":"89387","Lipkin041_negCSH_DPCSF6765_032.d":"84239","Lipkin018_negCSH_DPCSF9719_033.d":"84597","Lipkin019_negCSH_DPCSF3671_034.d":"93371","Lipkin089_negCSH_DPCSF0614_035.d":"90254","Lipkin074_negCSH_DPCSF1495_036.d":"82818","Lipkin101_negCSH_DPCSF9292_037.d":"87558","Lipkin096_negCSH_DPCSF9226_039.d":"86891","Lipkin020_negCSH_DPCSF2029_041.d":"86019","Lipkin090_negCSH_DPCSF7410_043.d":"87938","Lipkin071_negCSH_DPCSF1576_044.d":"84970","Lipkin114_negCSH_DPCSF7797_045.d":"93115","Lipkin105_negCSH_DPCSF7944_046.d":"79559","Lipkin039_negCSH_DPCSF3310_047.d":"89360","Lipkin066_negCSH_DPCSF2603_048.d":"87662","Lipkin116_negCSH_DPCSF6769_051.d":"70630","Lipkin084_negCSH_DPCSF1281_053.d":"81083","Lipkin052_negCSH_DPCSF5274_054.d":"95605","Lipkin057_negCSH_DPCSF6088_055.d":"89742","Lipkin067_negCSH_DPCSF6728_056.d":"58822","Lipkin027_negCSH_DPCSF1041_058.d":"84597","Lipkin063_negCSH_DPCSF3137_060.d":"71119","Lipkin099_negCSH_DPCSF6688_062.d":"81586","Lipkin108_negCSH_DPCSF2710_064.d":"90929","Lipkin097_negCSH_DPCSF4353_065.d":"74201","Lipkin110_negCSH_DPCSF2938_066.d":"74836","Lipkin044_negCSH_DPCSF6143_067.d":"89088","Lipkin081_negCSH_DPCSF7638_068.d":"88077","Lipkin016_negCSH_DPCSF3752_069.d":"88128","Lipkin076_negCSH_DPCSF5502_070.d":"87030","Lipkin072_negCSH_DPCSF7863_071.d":"90163","Lipkin037_negCSH_DPCSF3285_072.d":"89987","Lipkin078_negCSH_DPCSF5981_073.d":"90244","Lipkin031_negCSH_DPCSF4927_074.d":"86066","Lipkin065_negCSH_DPCSF8732_075.d":"88934","Lipkin050_negCSH_DPCSF7664_076.d":"85077","Lipkin033_negCSH_DPCSF5395_077.d":"86708","Lipkin102_negCSH_DPCSF0909_078.d":"86755","Lipkin030_negCSH_DPCSF7877_079.d":"87261","Lipkin094_negCSH_DPCSF8183_080.d":"79857","Lipkin068_negCSH_DPCSF8824_081.d":"90548","Lipkin109_negCSH_DPCSF1870_082.d":"85506","Lipkin004_negCSH_DPCSF6529_083.d":"89679","Lipkin120_negCSH_DPCSF3152_084.d":"75570","Lipkin028_negCSH_DPCSF8065_085.d":"86775","Lipkin048_negCSH_DPCSF7598_086.d":"85531","Lipkin029_negCSH_DPCSF7318_087.d":"91003","Lipkin064_negCSH_DPCSF5421_088.d":"76845","Lipkin104_negCSH_DPCSF0868_089.d":"87760","Lipkin011_negCSH_DPCSF6890_090.d":"85740","Lipkin045_negCSH_DPCSF7023_091.d":"87389","Lipkin075_negCSH_DPCSF9627_092.d":"90147","Lipkin087_negCSH_DPCSF3686_093.d":"87635","Lipkin093_negCSH_DPCSF7263_094.d":"84768","Lipkin119_negCSH_DPCSF4165_101.d":"64891","Lipkin053_negCSH_DPCSF7970_102.d":"90408","Lipkin106_negCSH_DPCSF6902_103.d":"89362","Lipkin049_negCSH_DPCSF4633_104.d":"84669","Lipkin056_negCSH_DPCSF0146_105.d":"89052","Lipkin098_negCSH_DPCSF7115_106.d":"78609","Lipkin113_negCSH_DPCSF6555_107.d":"84117","Lipkin024_negCSH_DPCSF0106_108.d":"85792","Lipkin036_negCSH_DPCSF6128_115.d":"88491","Lipkin051_negCSH_DPCSF3605_116.d":"87886","Lipkin043_negCSH_DPCSF8865_117.d":"88919","Lipkin059_negCSH_DPCSF2924_118.d":"86653","Lipkin092_negCSH_DPCSF2110_119.d":"73756","Lipkin038_negCSH_DPCSF2750_120.d":"81838","Lipkin007_negCSH_DPCSF4592_121.d":"76030","Lipkin014_negCSH_DPCSF1815_122.d":"78105"},{"Metabolite":"1_FA (16:0)-d3 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