{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001789","ANALYSIS_ID":"AN002902","VERSION":"1","CREATED_ON":"May 15, 2021, 8:33 am"},

"PROJECT":{"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 acute metabolomic changes in plasma and cerebrospinal fluid in response to endurance exercise. Young adult volunteers were enrolled, and the participants completed a monitored outdoor 90-minute run. Cerebrospinal fluid (CSF) was collected at rest (Pre) and 60 minutes (Time 60) after the run. Plasma samples were collected at rest, immediately after the run (Time 0) and 60 minutes after the run (Time 60). Broad-spectrum targeted metabolomics was conducted using liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS). This study provided insights into the benefits of mental health and neuroprotective benefits of endurance exercise.","INSTITUTE":"University of California, San Diego","DEPARTMENT":"Department of Medicine","LABORATORY":"The Naviaux Lab","FIRST_NAME":"Robert","ADDRESS":"214 Dickinson St., Room C-107","EMAIL":"rnaviaux@health.ucsd.edu","PHONE":"619-543-2904","FUNDING_SOURCE":"UCSD Christini Fund and the Lennox Foundation","PROJECT_TITLE":"Acute metabolomic changes of plasma and cerebrospinal fluid in response to endurance exercise","LAST_NAME":"Naviaux"},

"STUDY":{"STUDY_TITLE":"Acute metabolomic changes of plasma in response to endurance exercise","STUDY_SUMMARY":"This study compared the metabolomic differences in plasma of young adult volunteers between before (Pre), immediately after the run (Time 0) and 60 minutes after the 90-min run (Time 60).","INSTITUTE":"University of California, San Diego","DEPARTMENT":"Department of Medicine","LABORATORY":"The Naviaux Lab","LAST_NAME":"Naviaux","FIRST_NAME":"Robert","ADDRESS":"214 Dickinson St., Room C-107","EMAIL":"rnaviaux@health.ucsd.edu","NUM_GROUPS":"3","TOTAL_SUBJECTS":"19","NUM_MALES":"13","NUM_FEMALES":"6","PHONE":"619-543-2904"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"25(IQR 22-31)","GENDER":"Male and female","HUMAN_NUTRITION":"Participants were given a banana (~100g)"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"LP11",
"Sample ID":"LP11_plasma_B_F",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP15",
"Sample ID":"LP15_plasma_B_F",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP19",
"Sample ID":"LP19_plasma_B_F",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP20",
"Sample ID":"LP20_plasma_B_F",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP23",
"Sample ID":"LP23_plasma_B_F",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP30",
"Sample ID":"LP30_plasma_B_F",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP14",
"Sample ID":"LP14_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP16",
"Sample ID":"LP16_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP18",
"Sample ID":"LP18_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP21",
"Sample ID":"LP21_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP22",
"Sample ID":"LP22_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP24",
"Sample ID":"LP24_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP25",
"Sample ID":"LP25_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP26",
"Sample ID":"LP26_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP27",
"Sample ID":"LP27_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP28",
"Sample ID":"LP28_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP29",
"Sample ID":"LP29_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP31",
"Sample ID":"LP31_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP32",
"Sample ID":"LP32_plasma_B_M",
"Factors":{"Group":"Pre"}
},
{
"Subject ID":"LP11",
"Sample ID":"LP11_plasma_R2_F",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP15",
"Sample ID":"LP15_plasma_R2_F",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP19",
"Sample ID":"LP19_plasma_R2_F",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP20",
"Sample ID":"LP20_plasma_R2_F",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP23",
"Sample ID":"LP23_plasma_R2_F",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP30",
"Sample ID":"LP30_plasma_R2_F",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP14",
"Sample ID":"LP14_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP16",
"Sample ID":"LP16_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP18",
"Sample ID":"LP18_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP21",
"Sample ID":"LP21_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP22",
"Sample ID":"LP22_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP24",
"Sample ID":"LP24_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP25",
"Sample ID":"LP25_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP26",
"Sample ID":"LP26_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP27",
"Sample ID":"LP27_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP28",
"Sample ID":"LP28_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP29",
"Sample ID":"LP29_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP31",
"Sample ID":"LP31_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP32",
"Sample ID":"LP32_plasma_R2_M",
"Factors":{"Group":"Time 0"}
},
{
"Subject ID":"LP11",
"Sample ID":"LP11_plasma_R3_F",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP15",
"Sample ID":"LP15_plasma_R3_F",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP19",
"Sample ID":"LP19_plasma_R3_F",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP20",
"Sample ID":"LP20_plasma_R3_F",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP23",
"Sample ID":"LP23_plasma_R3_F",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP30",
"Sample ID":"LP30_plasma_R3_F",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP14",
"Sample ID":"LP14_plasma_R3_M",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP16",
"Sample ID":"LP16_plasma_R3_M",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP18",
"Sample ID":"LP18_plasma_R3_M",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP21",
"Sample ID":"LP21_plasma_R3_M",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP22",
"Sample ID":"LP22_plasma_R3_M",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP24",
"Sample ID":"LP24_plasma_R3_M",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP25",
"Sample ID":"LP25_plasma_R3_M",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP26",
"Sample ID":"LP26_plasma_R3_M",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP27",
"Sample ID":"LP27_plasma_R3_M",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP28",
"Sample ID":"LP28_plasma_R3_M",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP29",
"Sample ID":"LP29_plasma_R3_M",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP31",
"Sample ID":"LP31_plasma_R3_M",
"Factors":{"Group":"Time 60"}
},
{
"Subject ID":"LP32",
"Sample ID":"LP32_plasma_R3_M",
"Factors":{"Group":"Time 60"}
}
],
"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 blood sample (Pre) was collected, the cannula was closed with a screw cap and protected with an elastic bandage. Participants were given a banana (~100g) then completed a 90-minute outdoor run at local time 09:00 to 10:30 am. . Immediately after completing the 90-minute run, a time 0 blood sample was collected (Time 0). After 60 minutes of recovery (1130 am local time), a time 60 blood sample was collected (Time 60).","SAMPLE_TYPE":"Blood (plasma)","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Participants were given a banana (~100g) 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 blood sample (Pre) was collected before the run. Immediately after completing the 90-minute run, a time 0 blood sample was collected (Time 0). After 60 minutes of recovery (1130 am local time), a time 60 blood sample was collected (Time 60)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Plasma 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 plasma 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_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Ten µL of the extract was injected into the column through a CTC PAL autosampler. The samples were separated in the RP model using a Raptor Biphenyl column (150 × 2.1 mm, 2.7 µm) (Restek, PA). The LC conditions were as follows: Mobile phase A: 90% H2O with 0.1% formic acid and 10% MEOH, pH 4.0. Mobile phase B: MEOH-IPA (50:50, v/v) with 0.1% formic acid. The gradient was: 0 - 2 min 10% B, 2.1 - 4 min 40% B, 4 -12 min, linear ramping up to 100% B, 12 – 18 min 100% B, 19 - 24 min 10% B, 24.1 min stop. The flow rate was 250 µL/min, and the column temperature was controlled at 40 ºC.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Shimadzu 20AD","COLUMN_NAME":"Raptor Biphenyl column (150 × 2.1 mm, 2.7 µm)","FLOW_GRADIENT":"Constant","FLOW_RATE":"250 µL/min","COLUMN_TEMPERATURE":"40","SOLVENT_A":"90% H2O with 0.1% formic acid and 10% MEOH, pH 4.0","SOLVENT_B":"MEOH-IPA (50:50, v/v) with 0.1% formic acid","COLUMN_PRESSURE":"2800 psi - 4200 psi","INJECTION_TEMPERATURE":"4","OVEN_TEMPERATURE":"40","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) and advanced scheduled multiple reaction monitoring (MRM) with dynamic windowing and fast polarity switch. 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.Peaks were manually inspected and integrated using Multiquant 3.0.2. The peak area was exported to excel for further analysis.","COLLISION_ENERGY":"Compound-dependent","ION_SOURCE_TEMPERATURE":"500","ION_SPRAY_VOLTAGE":"-4500 V for negative and 5500 V for positive","IONIZATION":"ESI","MASS_ACCURACY":"0.1 Da"},

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

"Data":[{"Metabolite":"DeoxyCer(m18:1/16:0)","LP11_plasma_B_F":"1.39E+05","LP15_plasma_B_F":"8.54E+04","LP19_plasma_B_F":"6.14E+04","LP20_plasma_B_F":"1.53E+05","LP23_plasma_B_F":"2.04E+05","LP30_plasma_B_F":"1.67E+05","LP14_plasma_B_M":"1.17E+05","LP16_plasma_B_M":"1.41E+05","LP18_plasma_B_M":"9.16E+04","LP21_plasma_B_M":"2.01E+05","LP22_plasma_B_M":"1.49E+05","LP24_plasma_B_M":"1.42E+05","LP25_plasma_B_M":"2.11E+05","LP26_plasma_B_M":"1.58E+05","LP27_plasma_B_M":"1.93E+05","LP28_plasma_B_M":"1.78E+05","LP29_plasma_B_M":"1.96E+05","LP31_plasma_B_M":"1.86E+05","LP32_plasma_B_M":"2.22E+05","LP11_plasma_R2_F":"1.94E+05","LP15_plasma_R2_F":"1.29E+05","LP19_plasma_R2_F":"7.55E+04","LP20_plasma_R2_F":"1.71E+05","LP23_plasma_R2_F":"2.63E+05","LP30_plasma_R2_F":"1.74E+05","LP14_plasma_R2_M":"1.47E+05","LP16_plasma_R2_M":"1.60E+05","LP18_plasma_R2_M":"1.23E+05","LP21_plasma_R2_M":"1.85E+05","LP22_plasma_R2_M":"1.63E+05","LP24_plasma_R2_M":"1.54E+05","LP25_plasma_R2_M":"2.38E+05","LP26_plasma_R2_M":"1.86E+05","LP27_plasma_R2_M":"2.67E+05","LP28_plasma_R2_M":"1.53E+05","LP29_plasma_R2_M":"1.91E+05","LP31_plasma_R2_M":"2.40E+05","LP32_plasma_R2_M":"2.53E+05","LP11_plasma_R3_F":"1.81E+05","LP15_plasma_R3_F":"9.31E+04","LP19_plasma_R3_F":"6.34E+04","LP20_plasma_R3_F":"1.88E+05","LP23_plasma_R3_F":"2.14E+05","LP30_plasma_R3_F":"2.10E+05","LP14_plasma_R3_M":"9.47E+04","LP16_plasma_R3_M":"1.21E+05","LP18_plasma_R3_M":"1.50E+05","LP21_plasma_R3_M":"2.03E+05","LP22_plasma_R3_M":"1.34E+05","LP24_plasma_R3_M":"1.30E+05","LP25_plasma_R3_M":"3.08E+05","LP26_plasma_R3_M":"1.67E+05","LP27_plasma_R3_M":"2.15E+05","LP28_plasma_R3_M":"1.75E+05","LP29_plasma_R3_M":"1.77E+05","LP31_plasma_R3_M":"2.10E+05","LP32_plasma_R3_M":"1.77E+05"},{"Metabolite":"DeoxyCer(m18:1/18:0)","LP11_plasma_B_F":"7.28E+04","LP15_plasma_B_F":"1.07E+05","LP19_plasma_B_F":"6.53E+04","LP20_plasma_B_F":"1.49E+05","LP23_plasma_B_F":"1.27E+05","LP30_plasma_B_F":"1.48E+05","LP14_plasma_B_M":"2.21E+05","LP16_plasma_B_M":"2.54E+05","LP18_plasma_B_M":"1.69E+05","LP21_plasma_B_M":"9.51E+04","LP22_plasma_B_M":"1.44E+05","LP24_plasma_B_M":"1.81E+05","LP25_plasma_B_M":"1.78E+05","LP26_plasma_B_M":"1.05E+05","LP27_plasma_B_M":"1.89E+05","LP28_plasma_B_M":"7.30E+04","LP29_plasma_B_M":"8.94E+04","LP31_plasma_B_M":"1.31E+05","LP32_plasma_B_M":"1.75E+05","LP11_plasma_R2_F":"1.06E+05","LP15_plasma_R2_F":"1.44E+05","LP19_plasma_R2_F":"9.84E+04","LP20_plasma_R2_F":"1.64E+05","LP23_plasma_R2_F":"1.27E+05","LP30_plasma_R2_F":"1.14E+05","LP14_plasma_R2_M":"2.16E+05","LP16_plasma_R2_M":"2.19E+05","LP18_plasma_R2_M":"1.21E+05","LP21_plasma_R2_M":"9.86E+04","LP22_plasma_R2_M":"1.50E+05","LP24_plasma_R2_M":"1.20E+05","LP25_plasma_R2_M":"2.16E+05","LP26_plasma_R2_M":"1.35E+05","LP27_plasma_R2_M":"2.68E+05","LP28_plasma_R2_M":"1.12E+05","LP29_plasma_R2_M":"1.04E+05","LP31_plasma_R2_M":"1.53E+05","LP32_plasma_R2_M":"1.10E+05","LP11_plasma_R3_F":"7.08E+04","LP15_plasma_R3_F":"1.38E+05","LP19_plasma_R3_F":"7.72E+04","LP20_plasma_R3_F":"2.43E+05","LP23_plasma_R3_F":"1.27E+05","LP30_plasma_R3_F":"1.68E+05","LP14_plasma_R3_M":"1.90E+05","LP16_plasma_R3_M":"2.70E+05","LP18_plasma_R3_M":"1.24E+05","LP21_plasma_R3_M":"9.21E+04","LP22_plasma_R3_M":"1.38E+05","LP24_plasma_R3_M":"5.64E+04","LP25_plasma_R3_M":"2.00E+05","LP26_plasma_R3_M":"1.41E+05","LP27_plasma_R3_M":"2.73E+05","LP28_plasma_R3_M":"1.01E+05","LP29_plasma_R3_M":"1.16E+05","LP31_plasma_R3_M":"1.16E+05","LP32_plasma_R3_M":"1.27E+05"},{"Metabolite":"DeoxyCer(m18:1/20:0)","LP11_plasma_B_F":"N/A","LP15_plasma_B_F":"N/A","LP19_plasma_B_F":"N/A","LP20_plasma_B_F":"N/A","LP23_plasma_B_F":"N/A","LP30_plasma_B_F":"N/A","LP14_plasma_B_M":"N/A","LP16_plasma_B_M":"N/A","LP18_plasma_B_M":"N/A","LP21_plasma_B_M":"N/A","LP22_plasma_B_M":"N/A","LP24_plasma_B_M":"N/A","LP25_plasma_B_M":"N/A","LP26_plasma_B_M":"N/A","LP27_plasma_B_M":"N/A","LP28_plasma_B_M":"N/A","LP29_plasma_B_M":"N/A","LP31_plasma_B_M":"N/A","LP32_plasma_B_M":"N/A","LP11_plasma_R2_F":"N/A","LP15_plasma_R2_F":"N/A","LP19_plasma_R2_F":"N/A","LP20_plasma_R2_F":"N/A","LP23_plasma_R2_F":"N/A","LP30_plasma_R2_F":"N/A","LP14_plasma_R2_M":"N/A","LP16_plasma_R2_M":"N/A","LP18_plasma_R2_M":"N/A","LP21_plasma_R2_M":"N/A","LP22_plasma_R2_M":"N/A","LP24_plasma_R2_M":"N/A","LP25_plasma_R2_M":"N/A","LP26_plasma_R2_M":"N/A","LP27_plasma_R2_M":"N/A","LP28_plasma_R2_M":"N/A","LP29_plasma_R2_M":"N/A","LP31_plasma_R2_M":"N/A","LP32_plasma_R2_M":"N/A","LP11_plasma_R3_F":"N/A","LP15_plasma_R3_F":"N/A","LP19_plasma_R3_F":"N/A","LP20_plasma_R3_F":"N/A","LP23_plasma_R3_F":"N/A","LP30_plasma_R3_F":"N/A","LP14_plasma_R3_M":"N/A","LP16_plasma_R3_M":"N/A","LP18_plasma_R3_M":"N/A","LP21_plasma_R3_M":"N/A","LP22_plasma_R3_M":"N/A","LP24_plasma_R3_M":"N/A","LP25_plasma_R3_M":"N/A","LP26_plasma_R3_M":"N/A","LP27_plasma_R3_M":"N/A","LP28_plasma_R3_M":"N/A","LP29_plasma_R3_M":"N/A","LP31_plasma_R3_M":"N/A","LP32_plasma_R3_M":"N/A"},{"Metabolite":"DeoxyCer(m18:1/22:0)","LP11_plasma_B_F":"1.21E+05","LP15_plasma_B_F":"1.01E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asma_R3_M":"2.03E+07","LP28_plasma_R3_M":"1.82E+07","LP29_plasma_R3_M":"1.78E+07","LP31_plasma_R3_M":"1.74E+07","LP32_plasma_R3_M":"1.60E+07"},{"Metabolite":"SM(d18:1/22:2 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asma_R3_M":"1.56E+07","LP28_plasma_R3_M":"1.28E+07","LP29_plasma_R3_M":"1.02E+07","LP31_plasma_R3_M":"1.06E+07","LP32_plasma_R3_M":"1.07E+07"},{"Metabolite":"SM(d18:1/24:2 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}

}