#METABOLOMICS WORKBENCH michaelsa93_20170719_115544 DATATRACK_ID:1154 STUDY_ID:ST000801 ANALYSIS_ID:AN001273 PROJECT_ID:PR000576 VERSION 1 CREATED_ON July 20, 2017, 1:15 pm #PROJECT PR:PROJECT_TITLE Insights into myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) PR:PROJECT_TITLE phenotypes through comprehensive metabolomics PR:PROJECT_SUMMARY The pathogenesis of ME/CFS, a disease characterized by unexplained debilitating PR:PROJECT_SUMMARY fatigue, cognitive dysfunction, sleep disturbances, orthostatic intolerance, PR:PROJECT_SUMMARY fever, lymphadenopathy and irritable bowel syndrome (IBS), is poorly understood. PR:PROJECT_SUMMARY There are no validated diagnostic tests or interventions to mitigate disease. PR:PROJECT_SUMMARY Here we report association modeling, biomarker discovery, biochemical enrichment PR:PROJECT_SUMMARY analysis and topological network visualization of plasma metabolomic, fecal PR:PROJECT_SUMMARY bacterial metagenomic and clinical data from 50 ME/CFS patients and 50 healthy PR:PROJECT_SUMMARY controls. PR:INSTITUTE Columbia University PR:DEPARTMENT Center for Infection and Immunity, Mailman School of Public Health PR:LAST_NAME Lipkin PR:FIRST_NAME Ian PR:ADDRESS 722 West 168th Street, Room 1703a, New York, NY USA 10032 PR:EMAIL wil2001@columbia.edu PR:PHONE 212-342-9044 #STUDY ST:STUDY_TITLE Insights into myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) ST:STUDY_TITLE phenotypes through comprehensive metabolomics ST:STUDY_TYPE Observational ST:STUDY_SUMMARY The pathogenesis of ME/CFS, a disease characterized by unexplained debilitating ST:STUDY_SUMMARY fatigue, cognitive dysfunction, sleep disturbances, orthostatic intolerance, ST:STUDY_SUMMARY fever, lymphadenopathy and irritable bowel syndrome (IBS), is poorly understood. ST:STUDY_SUMMARY There are no validated diagnostic tests or interventions to mitigate disease. ST:STUDY_SUMMARY Here we report association modeling, biomarker discovery, biochemical enrichment ST:STUDY_SUMMARY analysis and topological network visualization of plasma metabolomic, fecal ST:STUDY_SUMMARY bacterial metagenomic and clinical data from 50 ME/CFS patients and 50 healthy ST:STUDY_SUMMARY controls. ST:INSTITUTE University of California, Davis ST:DEPARTMENT Genome and Biomedical Sciences Facility ST:LABORATORY WCMC Metabolomics Core ST:LAST_NAME Fiehn ST:FIRST_NAME Oliver ST:ADDRESS 1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, ST:ADDRESS CA 95616 ST:EMAIL ofiehn@ucdavis.edu ST:PHONE (530) 754-8258 ST:STUDY_COMMENTS Key: mecfs : 1 in this column indicates case, while 0 indicates control Ibs: 1 ST:STUDY_COMMENTS in this column indicates the patient does have disease, 0 indicates free of ibs #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Biorec001_posHILIC_preLipkin001_2.d Biorec001 CaseStatus:- | MECFS:- | IBS:- SEX=-; AGE_DICH=-; BMI_DICH=-; height (in.)=-; weight (lbs.)=-; bmi=- SUBJECT_SAMPLE_FACTORS Biorec002_posHILIC_postLipkin010_2.d Biorec002 CaseStatus:- | MECFS:- | IBS:- SEX=-; AGE_DICH=-; BMI_DICH=-; height (in.)=-; weight (lbs.)=-; bmi=- SUBJECT_SAMPLE_FACTORS Biorec003_posHILIC_postLipkin020.d Biorec003 CaseStatus:- | MECFS:- | IBS:- SEX=-; AGE_DICH=-; BMI_DICH=-; height (in.)=-; weight (lbs.)=-; bmi=- SUBJECT_SAMPLE_FACTORS Biorec004_posHILIC_postLipkin030.d Biorec004 CaseStatus:- | MECFS:- | IBS:- SEX=-; AGE_DICH=-; BMI_DICH=-; height (in.)=-; weight (lbs.)=-; bmi=- SUBJECT_SAMPLE_FACTORS Biorec005_posHILIC_postLipkin040.d Biorec005 CaseStatus:- | MECFS:- | IBS:- SEX=-; AGE_DICH=-; BMI_DICH=-; height (in.)=-; weight (lbs.)=-; bmi=- SUBJECT_SAMPLE_FACTORS Biorec006_posHILIC_postLipkin050.d Biorec006 CaseStatus:- | MECFS:- | IBS:- SEX=-; AGE_DICH=-; BMI_DICH=-; height (in.)=-; weight (lbs.)=-; bmi=- SUBJECT_SAMPLE_FACTORS Biorec007_posHILIC_postLipkin060.d Biorec007 CaseStatus:- | MECFS:- | IBS:- SEX=-; AGE_DICH=-; BMI_DICH=-; height (in.)=-; weight (lbs.)=-; bmi=- SUBJECT_SAMPLE_FACTORS Biorec008_posHILIC_postLipkin070.d Biorec008 CaseStatus:- | MECFS:- | IBS:- SEX=-; AGE_DICH=-; BMI_DICH=-; height (in.)=-; weight (lbs.)=-; bmi=- SUBJECT_SAMPLE_FACTORS Biorec009_posHILIC_postLipkin080.d Biorec009 CaseStatus:- | MECFS:- | IBS:- SEX=-; AGE_DICH=-; BMI_DICH=-; height (in.)=-; weight (lbs.)=-; bmi=- SUBJECT_SAMPLE_FACTORS Biorec010_posHILIC_postLipkin090.d Biorec010 CaseStatus:- | MECFS:- | IBS:- SEX=-; AGE_DICH=-; BMI_DICH=-; height (in.)=-; weight (lbs.)=-; bmi=- SUBJECT_SAMPLE_FACTORS Biorec011_posHILIC_postLipkin0102.d Biorec011 CaseStatus:- | MECFS:- | IBS:- SEX=-; AGE_DICH=-; BMI_DICH=-; height (in.)=-; weight (lbs.)=-; bmi=- SUBJECT_SAMPLE_FACTORS Lipkin072_posHILIC_ESP-0007_001_3uL.d ESP-0007 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=70; weight (lbs.)=154; bmi=22.09 SUBJECT_SAMPLE_FACTORS Lipkin085_posHILIC_ESP-0020_002_3uL.d ESP-0020 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=70; weight (lbs.)=230; bmi=33 SUBJECT_SAMPLE_FACTORS Lipkin027_posHILIC_ESP-0033_003_3uL.d ESP-0033 CaseStatus:Case | MECFS:1 | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=75; weight (lbs.)=252; bmi=31.49 SUBJECT_SAMPLE_FACTORS Lipkin081_posHILIC_ESP-0046_004_3uL.d ESP-0046 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=61; weight (lbs.)=148; bmi=27.96 SUBJECT_SAMPLE_FACTORS Lipkin034_posHILIC_ESP-0059_005_3uL_2.d ESP-0059 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=68; weight (lbs.)=140; bmi=21.28 SUBJECT_SAMPLE_FACTORS Lipkin065_posHILIC_ESP-0072_006_3uL.d ESP-0072 CaseStatus:Case | MECFS:1 | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=76; weight (lbs.)=206; bmi=25.07 SUBJECT_SAMPLE_FACTORS Lipkin029_posHILIC_ESP-0085_007_3uL.d ESP-0085 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=175; bmi=30.04 SUBJECT_SAMPLE_FACTORS Lipkin048_posHILIC_ESP-0098_008_3uL.d ESP-0098 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=58; weight (lbs.)=130; bmi=27.17 SUBJECT_SAMPLE_FACTORS Lipkin047_posHILIC_ESP-0111_009_3uL.d ESP-0111 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=67; weight (lbs.)=165.4; bmi=25.9 SUBJECT_SAMPLE_FACTORS Lipkin069_posHILIC_ESP-0124_010_3uL.d ESP-0124 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=143; bmi=23.79 SUBJECT_SAMPLE_FACTORS Lipkin038_posHILIC_ESP-0137_011_3uL.d ESP-0137 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=72; weight (lbs.)=147; bmi=19.93 SUBJECT_SAMPLE_FACTORS Lipkin050_posHILIC_ESP-0150_012_3uL.d ESP-0150 CaseStatus:Control | MECFS:- | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=68; weight (lbs.)=158; bmi=24.02 SUBJECT_SAMPLE_FACTORS Lipkin096_posHILIC_ESP-0163_013_3uL.d ESP-0163 CaseStatus:Control | MECFS:- | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=72; weight (lbs.)=178; bmi=24.14 SUBJECT_SAMPLE_FACTORS Lipkin037_posHILIC_ESP-0176_014_3uL.d ESP-0176 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=67; weight (lbs.)=125; bmi=19.58 SUBJECT_SAMPLE_FACTORS Lipkin049_posHILIC_ESP-0189_015_3uL.d ESP-0189 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=200; bmi=34.33 SUBJECT_SAMPLE_FACTORS Lipkin063_posHILIC_ESP-0202_016_3uL_2.d ESP-0202 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=62; weight (lbs.)=140; bmi=25.6 SUBJECT_SAMPLE_FACTORS Lipkin083_posHILIC_ESP-0215_017_3uL.d ESP-0215 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=150; bmi=25.74 SUBJECT_SAMPLE_FACTORS Lipkin057_posHILIC_ESP-0228_018_3uL_2.d ESP-0228 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=64; weight (lbs.)=124.6; bmi=21.39 SUBJECT_SAMPLE_FACTORS Lipkin074_posHILIC_ESP-0241_019_3uL_2.d ESP-0241 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=62.5; weight (lbs.)=180; bmi=32.39 SUBJECT_SAMPLE_FACTORS Lipkin062_posHILIC_ESP-0254_020_3uL.d ESP-0254 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=64; weight (lbs.)=118; bmi=20.25 SUBJECT_SAMPLE_FACTORS Lipkin076_posHILIC_ESP-0267_021_3uL.d ESP-0267 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=63; weight (lbs.)=156; bmi=27.63 SUBJECT_SAMPLE_FACTORS Lipkin101_posHILIC_ESP-0280_022_3uL.d ESP-0280 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=69; weight (lbs.)=207; bmi=30.57 SUBJECT_SAMPLE_FACTORS Lipkin039_posHILIC_ESP-0293_023_3uL_2.d ESP-0293 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=61; weight (lbs.)=160; bmi=30.23 SUBJECT_SAMPLE_FACTORS Lipkin056_posHILIC_ESP-0306_024_3uL_2.d ESP-0306 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=67; weight (lbs.)=230; bmi=36.02 SUBJECT_SAMPLE_FACTORS Lipkin064_posHILIC_ESP-0319_025_3uL.d ESP-0319 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=62; weight (lbs.)=120; bmi=21.95 SUBJECT_SAMPLE_FACTORS Lipkin095_posHILIC_ESP-0332_026_3uL.d ESP-0332 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=68.5; weight (lbs.)=140.5; bmi=21.05 SUBJECT_SAMPLE_FACTORS Lipkin013_posHILIC_ESP-0345_027_3uL.d ESP-0345 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=67; weight (lbs.)=145; bmi=22.71 SUBJECT_SAMPLE_FACTORS Lipkin017_posHILIC_ESP-0358_028_3uL.d ESP-0358 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=128.8; bmi=21.43 SUBJECT_SAMPLE_FACTORS Lipkin002_posHILIC_ESP-0371_029_3uL.d ESP-0371 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=62; weight (lbs.)=231; bmi=42.25 SUBJECT_SAMPLE_FACTORS Lipkin001_posHILIC_ESP-0384_030_3uL.d ESP-0384 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=65; weight (lbs.)=159; bmi=26.46 SUBJECT_SAMPLE_FACTORS Lipkin021_posHILIC_ESP-0397_031_3uL.d ESP-0397 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=71; weight (lbs.)=149; bmi=20.78 SUBJECT_SAMPLE_FACTORS Lipkin044_posHILIC_ESP-0410_032_3uL.d ESP-0410 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=60; weight (lbs.)=157.4; bmi=30.74 SUBJECT_SAMPLE_FACTORS Lipkin032_posHILIC_ESP-0423_033_3uL.d ESP-0423 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=166.4; bmi=28.56 SUBJECT_SAMPLE_FACTORS Lipkin094_posHILIC_ESP-0436_034_3uL.d ESP-0436 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=63; weight (lbs.)=122; bmi=21.61 SUBJECT_SAMPLE_FACTORS Lipkin042_posHILIC_ESP-0449_035_3uL.d ESP-0449 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=63; weight (lbs.)=170; bmi=30.11 SUBJECT_SAMPLE_FACTORS Lipkin007_posHILIC_ESP-0462_036_3uL.d ESP-0462 CaseStatus:Case | MECFS:1 | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=68; weight (lbs.)=189; bmi=28.73 SUBJECT_SAMPLE_FACTORS Lipkin082_posHILIC_ESP-0475_037_3uL.d ESP-0475 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=64; weight (lbs.)=142; bmi=24.37 SUBJECT_SAMPLE_FACTORS Lipkin004_posHILIC_ESP-0488_038_3uL.d ESP-0488 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=63; weight (lbs.)=150; bmi=26.57 SUBJECT_SAMPLE_FACTORS Lipkin024_posHILIC_ESP-0501_039_3uL.d ESP-0501 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=160; bmi=27.46 SUBJECT_SAMPLE_FACTORS Lipkin073_posHILIC_ESP-0514_040_3uL.d ESP-0514 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=144; bmi=23.96 SUBJECT_SAMPLE_FACTORS Lipkin033_posHILIC_ESP-0527_041_3uL.d ESP-0527 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=120; bmi=19.97 SUBJECT_SAMPLE_FACTORS Lipkin019_posHILIC_ESP-0540_042_3uL.d ESP-0540 CaseStatus:Control | MECFS:- | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=72; weight (lbs.)=160; bmi=21.7 SUBJECT_SAMPLE_FACTORS Lipkin071_posHILIC_ESP-0553_043_3uL.d ESP-0553 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=153; bmi=26.26 SUBJECT_SAMPLE_FACTORS Lipkin005_posHILIC_ESP-0566_044_3uL_2.d ESP-0566 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=68; weight (lbs.)=168; bmi=25.54 SUBJECT_SAMPLE_FACTORS Lipkin053_posHILIC_ESP-0579_045_3uL.d ESP-0579 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=135; bmi=22.46 SUBJECT_SAMPLE_FACTORS Lipkin035_posHILIC_ESP-0592_046_3uL.d ESP-0592 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=150; bmi=25.74 SUBJECT_SAMPLE_FACTORS Lipkin089_posHILIC_ESP-0605_047_3uL.d ESP-0605 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=61; weight (lbs.)=96.6; bmi=18.25 SUBJECT_SAMPLE_FACTORS Lipkin043_posHILIC_ESP-0618_048_3uL.d ESP-0618 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=61; weight (lbs.)=120; bmi=22.67 SUBJECT_SAMPLE_FACTORS Lipkin023_posHILIC_ESP-0631_049_1uL.d ESP-0631 CaseStatus:Control | MECFS:- | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=72; weight (lbs.)=194; bmi=26.31 SUBJECT_SAMPLE_FACTORS Lipkin020_posHILIC_ESP-0644_050_3uL.d ESP-0644 CaseStatus:Case | MECFS:1 | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=67.5; weight (lbs.)=160; bmi=24.69 SUBJECT_SAMPLE_FACTORS Lipkin092_posHILIC_ESP-0657_051_3uL.d ESP-0657 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=61; weight (lbs.)=137.8; bmi=26.03 SUBJECT_SAMPLE_FACTORS Lipkin009_posHILIC_ESP-0670_052_3uL.d ESP-0670 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=63; weight (lbs.)=175.8; bmi=31.14 SUBJECT_SAMPLE_FACTORS Lipkin040_posHILIC_ESP-0683_053_3uL.d ESP-0683 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=67; weight (lbs.)=125; bmi=19.58 SUBJECT_SAMPLE_FACTORS Lipkin012_posHILIC_ESP-0696_054_3uL.d ESP-0696 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=67; weight (lbs.)=194.6; bmi=30.48 SUBJECT_SAMPLE_FACTORS Lipkin080_posHILIC_ESP-0709_055_3uL.d ESP-0709 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=63; weight (lbs.)=132; bmi=23.38 SUBJECT_SAMPLE_FACTORS Lipkin028_posHILIC_ESP-0722_056_3uL.d ESP-0722 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=66; weight (lbs.)=205; bmi=33.08 SUBJECT_SAMPLE_FACTORS Lipkin077_posHILIC_ESP-0735_057_3uL_2.d ESP-0735 CaseStatus:Control | MECFS:- | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=71; weight (lbs.)=175; bmi=24.4 SUBJECT_SAMPLE_FACTORS Lipkin099_posHILIC_ESP-0748_058_3uL.d ESP-0748 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=130; bmi=21.63 SUBJECT_SAMPLE_FACTORS Lipkin054_posHILIC_ESP-0761_059_3uL.d ESP-0761 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=58.8; weight (lbs.)=115; bmi=23.38 SUBJECT_SAMPLE_FACTORS Lipkin088_posHILIC_ESP-0774_060_3uL.d ESP-0774 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=66; weight (lbs.)=138; bmi=22.27 SUBJECT_SAMPLE_FACTORS Lipkin097_posHILIC_ESP-0787_061_3uL.d ESP-0787 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=158; bmi=27.12 SUBJECT_SAMPLE_FACTORS Lipkin078_posHILIC_ESP-0800_062_3uL.d ESP-0800 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=66; weight (lbs.)=138; bmi=22.27 SUBJECT_SAMPLE_FACTORS Lipkin008_posHILIC_ESP-0813_063_3uL.d ESP-0813 CaseStatus:Case | MECFS:1 | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=70; weight (lbs.)=185; bmi=26.54 SUBJECT_SAMPLE_FACTORS Lipkin066_posHILIC_ESP-0826_064_3uL.d ESP-0826 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Male; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=67; weight (lbs.)=195; bmi=30.54 SUBJECT_SAMPLE_FACTORS Lipkin018_posHILIC_ESP-0839_065_3uL.d ESP-0839 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=72; weight (lbs.)=179; bmi=24.27 SUBJECT_SAMPLE_FACTORS Lipkin058_posHILIC_ESP-0852_066_3uL.d ESP-0852 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=68; weight (lbs.)=217; bmi=32.99 SUBJECT_SAMPLE_FACTORS Lipkin016_posHILIC_ESP-0865_067_3uL.d ESP-0865 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=124; bmi=20.63 SUBJECT_SAMPLE_FACTORS Lipkin051_posHILIC_ESP-0878_068_3uL.d ESP-0878 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=67; weight (lbs.)=192.2; bmi=30.1 SUBJECT_SAMPLE_FACTORS Lipkin068_posHILIC_ESP-0891_069_3uL_2.d ESP-0891 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=63.5; weight (lbs.)=219; bmi=38.18 SUBJECT_SAMPLE_FACTORS Lipkin011_posHILIC_ESP-0904_070_3uL.d ESP-0904 CaseStatus:Case | MECFS:1 | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=68; weight (lbs.)=164; bmi=24.93 SUBJECT_SAMPLE_FACTORS Lipkin059_posHILIC_ESP-0917_071_3uL.d ESP-0917 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=65; weight (lbs.)=178; bmi=29.62 SUBJECT_SAMPLE_FACTORS Lipkin014_posHILIC_ESP-0930_072_3uL.d ESP-0930 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=66; weight (lbs.)=140; bmi=22.59 SUBJECT_SAMPLE_FACTORS Lipkin100_posHILIC_ESP-0943_073_3uL.d ESP-0943 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=68; weight (lbs.)=150; bmi=22.8 SUBJECT_SAMPLE_FACTORS Lipkin046_posHILIC_ESP-0956_074_3uL.d ESP-0956 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=61; weight (lbs.)=146; bmi=27.58 SUBJECT_SAMPLE_FACTORS Lipkin060_posHILIC_ESP-0969_075_3uL.d ESP-0969 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=62; weight (lbs.)=136; bmi=24.87 SUBJECT_SAMPLE_FACTORS Lipkin075_posHILIC_ESP-0982_076_3uL.d ESP-0982 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=66; weight (lbs.)=154; bmi=24.85 SUBJECT_SAMPLE_FACTORS Lipkin093_posHILIC_ESP-0995_077_3uL.d ESP-0995 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=67.5; weight (lbs.)=140; bmi=21.6 SUBJECT_SAMPLE_FACTORS Lipkin086_posHILIC_ESP-1008_078_3uL.d ESP-1008 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=60; weight (lbs.)=140; bmi=27.34 SUBJECT_SAMPLE_FACTORS Lipkin067_posHILIC_ESP-1021_079_3uL.d ESP-1021 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=64; weight (lbs.)=135; bmi=23.17 SUBJECT_SAMPLE_FACTORS Lipkin091_posHILIC_ESP-1034_080_3uL.d ESP-1034 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=218; bmi=37.42 SUBJECT_SAMPLE_FACTORS Lipkin055_posHILIC_ESP-1047_081_3uL.d ESP-1047 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=62; weight (lbs.)=115; bmi=21.03 SUBJECT_SAMPLE_FACTORS Lipkin070_posHILIC_ESP-1060_082_3uL_2.d ESP-1060 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=64; weight (lbs.)=130; bmi=22.31 SUBJECT_SAMPLE_FACTORS Lipkin003_posHILIC_ESP-1073_083_3uL.d ESP-1073 CaseStatus:Control | MECFS:- | IBS:- SEX=Male; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=65; weight (lbs.)=180; bmi=29.95 SUBJECT_SAMPLE_FACTORS Lipkin006_posHILIC_ESP-1086_084_3uL.d ESP-1086 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=68; weight (lbs.)=143; bmi=21.74 SUBJECT_SAMPLE_FACTORS Lipkin045_posHILIC_ESP-1099_085_3uL.d ESP-1099 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=61; weight (lbs.)=120; bmi=22.67 SUBJECT_SAMPLE_FACTORS Lipkin031_posHILIC_ESP-1112_086_3uL.d ESP-1112 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=149; bmi=25.57 SUBJECT_SAMPLE_FACTORS Lipkin087_posHILIC_ESP-1125_087_3uL.d ESP-1125 CaseStatus:Case | MECFS:1 | IBS:1 SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=69; weight (lbs.)=234; bmi=34.55 SUBJECT_SAMPLE_FACTORS Lipkin102_posHILIC_ESP-1138_088_3uL.d ESP-1138 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=70; weight (lbs.)=208; bmi=29.84 SUBJECT_SAMPLE_FACTORS Lipkin079_posHILIC_ESP-1151_089_3uL.d ESP-1151 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=65.5; weight (lbs.)=150.2; bmi=24.61 SUBJECT_SAMPLE_FACTORS Lipkin061_posHILIC_ESP-1164_090_3uL.d ESP-1164 CaseStatus:Case | MECFS:1 | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=65; weight (lbs.)=177; bmi=29.45 SUBJECT_SAMPLE_FACTORS Lipkin090_posHILIC_ESP-1177_091_3uL.d ESP-1177 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Overweight.Obese; height (in.)=63; weight (lbs.)=162.6; bmi=28.8 SUBJECT_SAMPLE_FACTORS Lipkin015_posHILIC_ESP-1190_092_3uL.d ESP-1190 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=63; weight (lbs.)=130; bmi=23.03 SUBJECT_SAMPLE_FACTORS Lipkin026_posHILIC_ESP-1203_093_3uL.d ESP-1203 CaseStatus:Case | MECFS:1 | IBS:- SEX=Male; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=71; weight (lbs.)=215; bmi=29.98 SUBJECT_SAMPLE_FACTORS Lipkin052_posHILIC_ESP-1216_094_3uL.d ESP-1216 CaseStatus:Control | MECFS:- | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=70; weight (lbs.)=172; bmi=24.68 SUBJECT_SAMPLE_FACTORS Lipkin098_posHILIC_ESP-1229_095_3uL.d ESP-1229 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=67; weight (lbs.)=139; bmi=21.77 SUBJECT_SAMPLE_FACTORS Lipkin030_posHILIC_ESP-1255_096_3uL.d ESP-1255 CaseStatus:Case | MECFS:1 | IBS:- SEX=Male; AGE_DICH=over50; BMI_DICH=Underweight.Normal; height (in.)=70; weight (lbs.)=168; bmi=24.1 SUBJECT_SAMPLE_FACTORS Lipkin041_posHILIC_ESP-1268_097_3uL.d ESP-1268 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=66.6; weight (lbs.)=170; bmi=26.94 SUBJECT_SAMPLE_FACTORS Lipkin084_posHILIC_ESP-1281_098_3uL.d ESP-1281 CaseStatus:Control | MECFS:- | IBS:- SEX=Male; AGE_DICH=20_50; BMI_DICH=Overweight.Obese; height (in.)=68; weight (lbs.)=206; bmi=31.32 SUBJECT_SAMPLE_FACTORS Lipkin022_posHILIC_ESP-1294_099_3uL.d ESP-1294 CaseStatus:Control | MECFS:- | IBS:- SEX=Female; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=66; weight (lbs.)=120; bmi=19.37 SUBJECT_SAMPLE_FACTORS Lipkin010_posHILIC_ESP-1307_100_3uL.d ESP-1307 CaseStatus:Control | MECFS:- | IBS:- SEX=Male; AGE_DICH=20_50; BMI_DICH=Underweight.Normal; height (in.)=76; weight (lbs.)=185; bmi=22.52 #COLLECTION CO:COLLECTION_SUMMARY Subjects included 50 cases and 50 controls from the Chronic Fatigue Initiative CO:COLLECTION_SUMMARY (CFI) Cohort (28) recruited at 4 sites across the US who met the 1994 CDC Fukuda CO:COLLECTION_SUMMARY and/or Canadian consensus criteria for ME/CFS. CO:SAMPLE_TYPE Blood CO:BLOOD_SERUM_OR_PLASMA Plasma #TREATMENT TR:TREATMENT_SUMMARY Subjects included 50 cases and 50 controls from the Chronic Fatigue Initiative TR:TREATMENT_SUMMARY (CFI) Cohort (28) recruited at 4 sites across the US who met the 1994 CDC Fukuda TR:TREATMENT_SUMMARY and/or Canadian consensus criteria for ME/CFS #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 1.Thaw each 20 μL plasma aliquot at room temperature (see Aliquoting TEDDY SP:SAMPLEPREP_SUMMARY samples SOP). Once thawed (~10min) place liquid plasma samples on ice. 2. Add SP:SAMPLEPREP_SUMMARY 225 μL cold “MeOH with QC mix” (see SOP “QC mix for LC-MS lipid SP:SAMPLEPREP_SUMMARY analysis”). Keep MeOH on ice during extraction 3. Vortex each sample for 10s, SP:SAMPLEPREP_SUMMARY keeping the rest on ice during all the extraction. 4. Add 750 μL of cold MTBE SP:SAMPLEPREP_SUMMARY with 22:1 CE, keep MTBE on ice during extraction 5. Vortex for 10s 6. Shake for SP:SAMPLEPREP_SUMMARY 6min at 4°C in the orbital mixer. 7. Add 188 μL room temperature LC/MS grade SP:SAMPLEPREP_SUMMARY water. 8. Vortex for 20 s 9. Centrifuge for 2 min @ 14,000 rcf (12300 rpm) 10. SP:SAMPLEPREP_SUMMARY Remove supernatant, splitting into two aliquots of 350 μL, keeping one at SP:SAMPLEPREP_SUMMARY –20°C for backup 11. Dry samples to complete dryness in the speed vacuum SP:SAMPLEPREP_SUMMARY concentration system SP:SAMPLEPREP_PROTOCOL_FILENAME SP_SOP_Extraction_of_plasma.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 6530 CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) CH:FLOW_GRADIENT 0 min 100% (B), 0-2 min 100% (B), 2-7 min 70% (B), 7.7-9 min 40% (B), 9.5-10.25 CH:FLOW_GRADIENT min 30% (B), 10.25- 12.75 min 100% (B), 16.75 min 100% (B) CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 40 C CH:COLUMN_PRESSURE 200-700 bar CH:INJECTION_TEMPERATURE 4 C CH:INTERNAL_STANDARD See data dictionary CH:RETENTION_TIME See data dictionary CH:SAMPLE_INJECTION 3 μL CH:ANALYTICAL_TIME 14 min CH:CAPILLARY_VOLTAGE 4500 eV CH:TIME_PROGRAM 16.75 min CH:WEAK_WASH_SOLVENT_NAME 1:1 ACN:H2O CH:STRONG_WASH_SOLVENT_NAME Same CH:TARGET_SAMPLE_TEMPERATURE Autosampler temp 4 C CH:RANDOMIZATION_ORDER Excel generated #ANALYSIS AN:ANALYSIS_TYPE MS AN:SOFTWARE_VERSION MassHunter AN:DATA_FORMAT .d #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:CAPILLARY_VOLTAGE 3500 eV MS:COLLISION_ENERGY 45 eV MS:COLLISION_GAS Nitrogen MS:DRY_GAS_FLOW 8L/min MS:DRY_GAS_TEMP 325 C MS:FRAGMENT_VOLTAGE 120 eV MS:FRAGMENTATION_METHOD Auto MS/MS MS:ION_SOURCE_TEMPERATURE 325 C MS:ION_SPRAY_VOLTAGE 1000 MS:IONIZATION Pos MS:PRECURSOR_TYPE Intact Molecule MS:REAGENT_GAS Nitrogen MS:SOURCE_TEMPERATURE 325 C MS:DATAFORMAT .d MS:DESOLVATION_GAS_FLOW 11 L/min MS:DESOLVATION_TEMPERATURE 350 C MS:NEBULIZER 35 psig MS:OCTPOLE_VOLTAGE 750 MS:RESOLUTION_SETTING Extended Dyamic Range MS:SCAN_RANGE_MOVERZ 60-1700 Da MS:SCANNING_CYCLE 2 Hz MS:SCANNING_RANGE 60-1700 Da MS:SKIMMER_VOLTAGE 65 MS:MS_RESULTS_FILE ST000801_AN001273_Results.txt UNITS:Counts #END