{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001780","ANALYSIS_ID":"AN002890","VERSION":"1","CREATED_ON":"May 10, 2021, 10:01 am"},

"PROJECT":{"PROJECT_TITLE":"Metabolomic changes of cerebrospinal fluid in response to endurance exercise","PROJECT_SUMMARY":"Metabolomics has emerged as a powerful new tool in precision medicine for gaining mechanistic insight into health and disease. The objective of this project was to investigate the metabolomic changes in cerebrospinal fluid (CSF) in response to endurance exercise. Young adult volunteers were enrolled, and the participants completed a monitored outdoor 90-minute run. CSF samples were collected during rest (Pre), and 60 minutes after the run (Post). Broad-spectrum targeted metabolomics was conducted using the liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS). This study provided insights into the neuroprotective and mental health benefits of endurance exercise.","INSTITUTE":"UCSD School of Medicine","LAST_NAME":"Naviaux","FIRST_NAME":"Robert","ADDRESS":"214 Dickinson St., Room C-107, San Diego, CA, 92103, USA","EMAIL":"rnaviaux@health.ucsd.edu","PHONE":"619-543-2904"},

"STUDY":{"STUDY_TITLE":"Comparative analysis of metabolomic profiles in cerebrospinal fluid before and after endurance exercise","STUDY_SUMMARY":"This study compared the metabolomic differences in the cerebrospinal fluid of young adult volunteers between before (Pre), and 60 minutes after the 90-min run (Post).","INSTITUTE":"UCSD School of Medicine","LAST_NAME":"Naviaux","FIRST_NAME":"Robert","ADDRESS":"214 Dickinson St., Room C-107, San Diego, CA, 92103, USA","EMAIL":"rnaviaux@health.ucsd.edu","PHONE":"619-543-2904","NUM_GROUPS":"2","TOTAL_SUBJECTS":"19","NUM_MALES":"13","NUM_FEMALES":"6"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"25(IQR 22-31)","GENDER":"Male and female","HUMAN_RACE":"European","HUMAN_MEDICATIONS":"None","HUMAN_PRESCRIPTION_OTC":"None","HUMAN_SMOKING_STATUS":"None","HUMAN_ALCOHOL_DRUG_USE":"None"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"LP11",
"Sample ID":"LP11_pre_CSF_F",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP15",
"Sample ID":"LP15_pre_CSF_F",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP19",
"Sample ID":"LP19_pre_CSF_F",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP20",
"Sample ID":"LP20_pre_CSF_F",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP23",
"Sample ID":"LP23_pre_CSF_F",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP30",
"Sample ID":"LP30_pre_CSF_F",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP14",
"Sample ID":"LP14_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP16",
"Sample ID":"LP16_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP18",
"Sample ID":"LP18_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP21",
"Sample ID":"LP21_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP22",
"Sample ID":"LP22_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP24",
"Sample ID":"LP24_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP25",
"Sample ID":"LP25_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP26",
"Sample ID":"LP26_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP27",
"Sample ID":"LP27_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP28",
"Sample ID":"LP28_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP29",
"Sample ID":"LP29_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP31",
"Sample ID":"LP31_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP32",
"Sample ID":"LP32_pre_CSF_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP11",
"Sample ID":"LP11_post_CSF_F",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP15",
"Sample ID":"LP15_post_CSF_F",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP19",
"Sample ID":"LP19_post_CSF_F",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP20",
"Sample ID":"LP20_post_CSF_F",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP23",
"Sample ID":"LP23_post_CSF_F",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP30",
"Sample ID":"LP30_post_CSF_F",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP14",
"Sample ID":"LP14_post_CSF_M",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP16",
"Sample ID":"LP16_post_CSF_M",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP18",
"Sample ID":"LP18_post_CSF_M",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP21",
"Sample ID":"LP21_post_CSF_M",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP22",
"Sample ID":"LP22_post_CSF_M",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP24",
"Sample ID":"LP24_post_CSF_M",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP25",
"Sample ID":"LP25_post_CSF_M",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP26",
"Sample ID":"LP26_post_CSF_M",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP27",
"Sample ID":"LP27_post_CSF_M",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP28",
"Sample ID":"LP28_post_CSF_M",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP29",
"Sample ID":"LP29_post_CSF_M",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP31",
"Sample ID":"LP31_post_CSF_M",
"Factors":{"Group":"Post"}
},
{
"Subject ID":"LP32",
"Sample ID":"LP32_post_CSF_M",
"Factors":{"Group":"Post"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Measurements and samples were collected on two days separated by 4 weeks. Samples were drawn at the same time on the two experimental days to control for circadian rhythms. A baseline cerebrospinal fluid (CSF) sample (Pre) was collected. Participants were given a banana (~100g) then completed a 90-minute outdoor run at local time 09:00 to 10:30 am. After 60 minutes of recovery (1130 am local time), a post-run CSF sample was collected (Post).","SAMPLE_TYPE":"CSF","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Participants were given a banana (~100 g) then completed a 90-minute outdoor run at local time 09:00 to 10:30 am, maintaining an effort of 75% -80% of their heart rate. A baseline cerebrospinal fluid sample (CSF) (Pre) was collected before the run. After 60 minutes of recovery (1130 am local time), a post-run CSF sample was collected (Post)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The cerebrospinal fluid samples (90 µl) were mixed with 5 µl of commercial internal standards and 5 µl of custom-synthesized 13C labeled standards and then incubated for 10 min at room temperature to permit small molecules and vitamins in the internal standards to associate with binding proteins. The metabolites were extracted with 400 µl of cold (-20 °C) methanol: acetonitrile (50:50, v/v), yielding a final concentration of methanol: acetonitrile: water (40:40:20, v/v/v). The samples were then vortexed vigorously, incubated on crushed ice for 10 min, and then centrifuged at 16,000 g for 10 min at 4 °C. The supernatants containing the extracted metabolites and internal standards were transferred to labeled cryotubes and stored at -80 °C prior to LC-MS/MS.","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACT_CLEANUP":"None","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"None","SAMPLE_DERIVATIZATION":"None"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Ten µL of the extract was injected into the column through a CTC PAL autosampler. The samples were separated in HILIC mode using a polymer-based NH2 column (250 × 2 mm, 4 µm) (Asahipak NH2P-40 2E, Shodex, Japan). The optimal LC conditions were as follows: Mobile phase A: 95% H2O with 20 mM (NH4)2CO3 and 5% ACN, pH 9.8. Mobile phase B: 100% ACN. The gradient was: 0 - 3.5 min 95% B, 3.6 - 8 min 85% B, 8.1 - 13 min 75% B, 14 - 30 min 0% B, 31 - 41 min 95% B, 41.1 min stop. The flow rate was 200 µL/min, and the column temperature was held at 25 ºC.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Shimadzu 20AD","COLUMN_NAME":"Shodex NH2P-40 2E (250 × 2 mm, 4 µm)","FLOW_GRADIENT":"Constant","FLOW_RATE":"200 µL/min","COLUMN_TEMPERATURE":"25","SOLVENT_A":"95% H2O with 20 mM (NH4)2CO3 and 5% ACN, pH 9.8","SOLVENT_B":"100% ACN","COLUMN_PRESSURE":"900 psi - 2400 psi","INJECTION_TEMPERATURE":"4","SAMPLE_INJECTION":"10 uL","ANALYTICAL_TIME":"45 min","OVEN_TEMPERATURE":"25","SAMPLE_LOOP_SIZE":"10","SAMPLE_SYRINGE_SIZE":"100"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"The Naviaux Lab","SOFTWARE_VERSION":"Analyst 1.6.2","DATA_FORMAT":".wiff"},

"MS":{"INSTRUMENT_NAME":"ABI Sciex 5500 QTrap","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"The MS/MS detection was performed using electrospray ionization (ESI) on both positive and negative modes. The MS/MS detection was performed using electrospray ionization (ESI) on both positive and negative modes. Advanced scheduled multiple reaction monitoring (MRM) with dynamic windowing and fast polarity switch were used. The ESI source conditions were set as follows: electrospray voltage of -4500 V for negative mode and 5500 V for positive mode, source temperature of 500 °C, curtain gas of 30, ion source gas 1, and gas 2 of 35 psi, respectively.","COLLISION_ENERGY":"Compound-dependent","COLLISION_GAS":"Medium","ION_SOURCE_TEMPERATURE":"500","ION_SPRAY_VOLTAGE":"-4500 V for negative and 5500 V for positive","IONIZATION":"ESI","MASS_ACCURACY":"0.1 Da","SOURCE_TEMPERATURE":"500"},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"1,25-Dihydroxyvitamin D3","LP11_pre_CSF_F":"1.12E+07","LP15_pre_CSF_F":"5.96E+06","LP19_pre_CSF_F":"1.05E+07","LP20_pre_CSF_F":"2.50E+07","LP23_pre_CSF_F":"7.35E+07","LP30_pre_CSF_F":"7.68E+06","LP14_pre_CSF_M":"5.38E+06","LP16_pre_CSF_M":"6.29E+06","LP18_pre_CSF_M":"5.15E+06","LP21_pre_CSF_M":"1.16E+07","LP22_pre_CSF_M":"8.25E+06","LP24_pre_CSF_M":"2.71E+07","LP25_pre_CSF_M":"5.25E+06","LP26_pre_CSF_M":"7.00E+06","LP27_pre_CSF_M":"1.06E+07","LP28_pre_CSF_M":"2.48E+07","LP29_pre_CSF_M":"4.68E+06","LP31_pre_CSF_M":"2.51E+07","LP32_pre_CSF_M":"5.78E+06","LP11_post_CSF_F":"4.78E+06","LP15_post_CSF_F":"7.13E+06","LP19_post_CSF_F":"4.66E+06","LP20_post_CSF_F":"5.00E+06","LP23_post_CSF_F":"5.28E+06","LP30_post_CSF_F":"7.85E+06","LP14_post_CSF_M":"1.17E+07","LP16_post_CSF_M":"6.35E+06","LP18_post_CSF_M":"5.07E+06","LP21_post_CSF_M":"9.40E+06","LP22_post_CSF_M":"9.15E+06","LP24_post_CSF_M":"6.26E+06","LP25_post_CSF_M":"7.25E+06","LP26_post_CSF_M":"4.48E+06","LP27_post_CSF_M":"5.15E+06","LP28_post_CSF_M":"5.37E+06","LP29_post_CSF_M":"3.93E+06","LP31_post_CSF_M":"6.85E+06","LP32_post_CSF_M":"2.16E+07"},{"Metabolite":"11,12-DiHETrE","LP11_pre_CSF_F":"N/A","LP15_pre_CSF_F":"N/A","LP19_pre_CSF_F":"N/A","LP20_pre_CSF_F":"N/A","LP23_pre_CSF_F":"N/A","LP30_pre_CSF_F":"N/A","LP14_pre_CSF_M":"N/A","LP16_pre_CSF_M":"N/A","LP18_pre_CSF_M":"N/A","LP21_pre_CSF_M":"N/A","LP22_pre_CSF_M":"N/A","LP24_pre_CSF_M":"N/A","LP25_pre_CSF_M":"N/A","LP26_pre_CSF_M":"N/A","LP27_pre_CSF_M":"N/A","LP28_pre_CSF_M":"N/A","LP29_pre_CSF_M":"N/A","LP31_pre_CSF_M":"N/A","LP32_pre_CSF_M":"N/A","LP11_post_CSF_F":"N/A","LP15_post_CSF_F":"N/A","LP19_post_CSF_F":"N/A","LP20_post_CSF_F":"N/A","LP23_post_CSF_F":"N/A","LP30_post_CSF_F":"N/A","LP14_post_CSF_M":"N/A","LP16_post_CSF_M":"N/A","LP18_post_CSF_M":"N/A","LP21_post_CSF_M":"N/A","LP22_post_CSF_M":"N/A","LP24_post_CSF_M":"N/A","LP25_post_CSF_M":"N/A","LP26_post_CSF_M":"N/A","LP27_post_CSF_M":"N/A","LP28_post_CSF_M":"N/A","LP29_post_CSF_M":"N/A","LP31_post_CSF_M":"N/A","LP32_post_CSF_M":"N/A"},{"Metabolite":"11,12-Epoxyeicosatrienoic acid","LP11_pre_CSF_F":"N/A","LP15_pre_CSF_F":"N/A","LP19_pre_CSF_F":"N/A","LP20_pre_CSF_F":"N/A","LP23_pre_CSF_F":"N/A","LP30_pre_CSF_F":"N/A","LP14_pre_CSF_M":"N/A","LP16_pre_CSF_M":"N/A","LP18_pre_CSF_M":"N/A","LP21_pre_CSF_M":"N/A","LP22_pre_CSF_M":"N/A","LP24_pre_CSF_M":"N/A","LP25_pre_CSF_M":"N/A","LP26_pre_CSF_M":"N/A","LP27_pre_CSF_M":"N/A","LP28_pre_CSF_M":"N/A","LP29_pre_CSF_M":"N/A","LP31_pre_CSF_M":"N/A","LP32_pre_CSF_M":"N/A","LP11_post_CSF_F":"N/A","LP15_post_CSF_F":"N/A","LP19_post_CSF_F":"N/A","LP20_post_CSF_F":"N/A","LP23_post_CSF_F":"N/A","LP30_post_CSF_F":"N/A","LP14_post_CSF_M":"N/A","LP16_post_CSF_M":"N/A","LP18_post_CSF_M":"N/A","LP21_post_CSF_M":"N/A","LP22_post_CSF_M":"N/A","LP24_post_CSF_M":"N/A","LP25_post_CSF_M":"N/A","LP26_post_CSF_M":"N/A","LP27_post_CSF_M":"N/A","LP28_post_CSF_M":"N/A","LP29_post_CSF_M":"N/A","LP31_post_CSF_M":"N/A","LP32_post_CSF_M":"N/A"},{"Metabolite":"11-Dehydro-thromboxane 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}

}