{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003349","ANALYSIS_ID":"AN005489","PROJECT_ID":"PR002083","VERSION":"1","CREATED_ON":"July 23, 2024, 12:55 pm"},

"PROJECT":{"PROJECT_TITLE":"Data accqusition for targeted metabolomics","PROJECT_SUMMARY":"To obtain the metabolic alterations during endurance exercise, we performed a metabolomics study that enrolled 19 race-walking athletes using untargeted and targeted approaches. In total, 859 metabolites and 411 lipids were identified in the untargeted methods, and 465 metabolites were quantified from targeted methods. This extensive dataset offers a valuable resource for understanding the systemic metabolic changes induced by race walking and assists researchers in identifying biomarkers of athletic performance.","INSTITUTE":"The First Affiliated Hospital of Dalian Medical University","LAST_NAME":"Zhang","FIRST_NAME":"Yunshu","ADDRESS":"No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province, Dalian, Xigang District, Dalian City, Liaoning Province, 116000, China","EMAIL":"zys196062186@163.com","PHONE":"041193635863"},

"STUDY":{"STUDY_TITLE":"Targeted metabolomics of human race walking","STUDY_SUMMARY":"To obtain the metabolic alterations during endurance exercise, we performed a metabolomics study that enrolled 19 race-walking athletes using untargeted and targeted approaches. In total, 859 metabolites and 411 lipids were identified in the untargeted methods, and 465 metabolites were quantified from targeted methods. This extensive dataset offers a valuable resource for understanding the systemic metabolic changes induced by race walking and assists researchers in identifying biomarkers of athletic performance.","INSTITUTE":"The First Affiliated Hospital of Dalian Medical University","LAST_NAME":"Zhang","FIRST_NAME":"yunshu","ADDRESS":"No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province","EMAIL":"zys1986062186@163.com","PHONE":"0411-83635863"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
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{
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{
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},
{
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},
{
"Subject ID":"-",
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"Factors":{"Sample source":"blood","collection time":"rest"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
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"Factors":{"Sample source":"blood","collection time":"stat"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
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},
{
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{
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{
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"Factors":{"Sample source":"blood","collection time":"stat"},
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{
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{
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{
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{
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{
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{
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{
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{
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{
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"Factors":{"Sample source":"blood","collection time":"stat"},
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{
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},
{
"Subject ID":"-",
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{
"Subject ID":"-",
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"Factors":{"Sample source":"blood","collection time":"rest"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
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"Factors":{"Sample source":"blood","collection time":"stat"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
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{
"Subject ID":"-",
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{
"Subject ID":"-",
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{
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"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
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{
"Subject ID":"-",
"Sample ID":"90_2",
"Factors":{"Sample source":"blood","collection time":"stat"},
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{
"Subject ID":"-",
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"Factors":{"Sample source":"blood","collection time":"rec3"},
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{
"Subject ID":"-",
"Sample ID":"90_4",
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{
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{
"Subject ID":"-",
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"Factors":{"Sample source":"blood","collection time":"stat"},
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{
"Subject ID":"-",
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"Factors":{"Sample source":"blood","collection time":"rec3"},
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{
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"Sample ID":"91_4",
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{
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{
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{
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{
"Subject ID":"-",
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{
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{
"Subject ID":"-",
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"Factors":{"Sample source":"blood","collection time":"stat"},
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{
"Subject ID":"-",
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{
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{
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{
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"Factors":{"Sample source":"blood","collection time":"stat"},
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{
"Subject ID":"-",
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"Factors":{"Sample source":"blood","collection time":"rec3"},
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{
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{
"Subject ID":"-",
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{
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"Factors":{"Sample source":"blood","collection time":"stat"},
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{
"Subject ID":"-",
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{
"Subject ID":"-",
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{
"Subject ID":"-",
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},
{
"Subject ID":"-",
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"Factors":{"Sample source":"blood","collection time":"stat"},
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},
{
"Subject ID":"-",
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{
"Subject ID":"-",
"Sample ID":"96_4",
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},
{
"Subject ID":"-",
"Sample ID":"97_1",
"Factors":{"Sample source":"blood","collection time":"rest"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
"Sample ID":"97_2",
"Factors":{"Sample source":"blood","collection time":"stat"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
"Sample ID":"97_3",
"Factors":{"Sample source":"blood","collection time":"rec3"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
"Sample ID":"97_4",
"Factors":{"Sample source":"blood","collection time":"rec22"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
"Sample ID":"98_1",
"Factors":{"Sample source":"blood","collection time":"rest"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
"Sample ID":"98_2",
"Factors":{"Sample source":"blood","collection time":"stat"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
"Sample ID":"98_3",
"Factors":{"Sample source":"blood","collection time":"rec3"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
"Sample ID":"98_4",
"Factors":{"Sample source":"blood","collection time":"rec22"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
"Sample ID":"99_1",
"Factors":{"Sample source":"blood","collection time":"rest"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
"Sample ID":"99_2",
"Factors":{"Sample source":"blood","collection time":"stat"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
"Sample ID":"99_3",
"Factors":{"Sample source":"blood","collection time":"rec3"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
},
{
"Subject ID":"-",
"Sample ID":"99_4",
"Factors":{"Sample source":"blood","collection time":"rec22"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"targeted-walk.zip"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Sera were collected from 20 male student-athletes with the informed consent of every participants, and the study was approved by the ethics committee of Shenyang sport university (No.2022-6-30-01). Samples were collected at four different time points. The first point was fast samples collected before the race walk at 8:20 am (name as REST). The second point was collected at immediately after the race walk exercise at 10:30 am (name as STAT). The third point was collected at the 3-hour recovery period after the exercise at 13: 30 pm (named as REC3). The fourth point was fast samples collected at 22 h post-exercise on day 2 at 8:20 am (named as REC22). Blood were collected in plastic Vacutainer blood tubes, allowed to clot for 40 minutes, and then centrifuged at 13000 g for 10 minutes. The sera were frozen in dry ice immediately after collection and then stored at − 80°C untill analysis.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"There is no treatment."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The aliquots were thawed at 4 °C for 60 minutes and then gently blown with a pipetting gun to allow uniform distribution of the sample. Then, 120μL of serum was transferred to a 2 mL EP tube (Aixgen USA), and 480 μL of methanol was added. The samples were vortexed for 5 min then allowed to stand for 10 min at room temperature and centrifuged at 13000 g at 4 °C (Thermo Scientific, USA) for 10 minutes. The upper extracts were transferred to a 1.5ml tube and lyophilized for 3 hours in a vacuum freeze dryer (Labconco Corporation, USA) and then stored at 4 °C until injection. Prior to analysis, the extracts were redissolved in 500 μl acetonitril-water (1:3,v/v). Quality control (QC) samples were prepared by mixing equal amounts of samples."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Shimadzu Nexera X2","COLUMN_NAME":"ACE Excel 2 C18-PFP (100 x 2.1mm,2um)","SOLVENT_A":"100% water; 0.1% formic acid","SOLVENT_B":"100% acetonitrile; 0.1% formic acid","FLOW_GRADIENT":"2% strong elution to 98% B in 12 min,12-13.5min 98%B,13.5-13.6min 98%-2%","FLOW_RATE":"0.4 mL/min","COLUMN_TEMPERATURE":"40"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 5500 QTrap","INSTRUMENT_TYPE":"QTRAP","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"Polarity switching for MS was used."},

"MS_METABOLITE_DATA":{
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"Metabolites":[{"Metabolite":"Carnitine","Molecular formula":"C7H15NO3"},{"Metabolite":"Acetylcarnitine","Molecular formula":"C9H17NO4"},{"Metabolite":"AcCa(3:0)","Molecular formula":"C10H19NO4"},{"Metabolite":"AcCa(4:0)","Molecular formula":"C11H21NO4"},{"Metabolite":"isoAcCa(4:0)","Molecular formula":"C11H21NO4"},{"Metabolite":"AcCa(5:0)2","Molecular formula":"C12H23NO4"},{"Metabolite":"AcCa(5:0)4","Molecular formula":"C12H23NO4"},{"Metabolite":"AcCa(3:0-DC)","Molecular formula":"C10H17NO6"},{"Metabolite":"AcCa(6:1)","Molecular formula":"C13H23NO4"},{"Metabolite":"AcCa(6:1)1","Molecular formula":"C13H23NO4"},{"Metabolite":"AcCa(6:1)2","Molecular formula":"C13H23NO4"},{"Metabolite":"AcCa(6:0)","Molecular formula":"C13H25NO4"},{"Metabolite":"AcCa(4:0-DC)","Molecular formula":"C11H19NO6"},{"Metabolite":"AcCa(8:1)","Molecular formula":"C15H27NO4"},{"Metabolite":"AcCa(8:0)","Molecular formula":"C15H29NO4"},{"Metabolite":"AcCa(6:0-DC)","Molecular 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formula":"C25H45NO4"},{"Metabolite":"AcCa(18:1)","Molecular formula":"C25H47NO4"},{"Metabolite":"AcCa(18:0)","Molecular formula":"C25H49NO4"},{"Metabolite":"AcCa(17:0-OH)","Molecular formula":"C24H47NO5"},{"Metabolite":"AcCa(18:3-OH)","Molecular formula":"C25H43NO5"},{"Metabolite":"AcCa(18:2-OH)","Molecular formula":"C25H45NO5"},{"Metabolite":"AcCa(18:1-OH)","Molecular formula":"C25H47NO5"},{"Metabolite":"AcCa(20:4)","Molecular formula":"C27H45NO4"},{"Metabolite":"AcCa(20:3)","Molecular formula":"C27H47NO4"},{"Metabolite":"AcCa(20:2)","Molecular formula":"C27H49NO4"},{"Metabolite":"AcCa(20:0)","Molecular formula":"C27H53NO4"},{"Metabolite":"AcCa(20:2-OH)","Molecular formula":"C27H49NO5"},{"Metabolite":"LysoPC(0:0/14:0)","Molecular formula":"C22H46NO7P"},{"Metabolite":"LysoPC(14:0/0:0)","Molecular formula":"C22H46NO7P"},{"Metabolite":"LysoPC(16:0p/0:0)","Molecular formula":"C24H50NO6P"},{"Metabolite":"LysoPC(0:0/15:0)","Molecular formula":"C23H48NO7P"},{"Metabolite":"LysoPC(15:0/0:0)","Molecular formula":"C23H48NO7P"},{"Metabolite":"LysoPC(16:0e/0:0)","Molecular formula":"C24H52NO6P"},{"Metabolite":"LysoPC(0:0/16:1)","Molecular formula":"C24H48NO7P"},{"Metabolite":"LysoPC(16:1/0:0)","Molecular formula":"C24H48NO7P"},{"Metabolite":"LysoPC(0:0/16:0)","Molecular formula":"C24H50NO7P"},{"Metabolite":"LysoPC(16:0/0:0)","Molecular formula":"C24H50NO7P"},{"Metabolite":"LysoPC(18:1p/0:0)","Molecular formula":"C26H52NO6P"},{"Metabolite":"LysoPC(17:1/0:0)","Molecular formula":"C25H50NO7P"},{"Metabolite":"LysoPC(18:0p/0:0)","Molecular formula":"C26H54NO6P"},{"Metabolite":"LysoPC(17:0/0:0)","Molecular formula":"C25H52NO7P"},{"Metabolite":"LysoPC(0:0/18:3)","Molecular formula":"C26H48NO7P"},{"Metabolite":"LysoPC(18:3/0:0)","Molecular formula":"C26H48NO7P"},{"Metabolite":"LysoPC(0:0/18:2)","Molecular formula":"C26H50NO7P"},{"Metabolite":"LysoPC(18:2/0:0)","Molecular formula":"C26H50NO7P"},{"Metabolite":"LysoPC(0:0/18:1)","Molecular formula":"C26H52NO7P"},{"Metabolite":"LysoPC(18:1/0:0)","Molecular formula":"C26H52NO7P"},{"Metabolite":"LysoPC(0:0/18:0)","Molecular formula":"C26H54NO7P"},{"Metabolite":"LysoPC(18:0/0:0)","Molecular formula":"C26H54NO7P"},{"Metabolite":"LysoPC(0:0/19:0)","Molecular formula":"C27H56NO7P"},{"Metabolite":"LysoPC(19:0/0:0)","Molecular formula":"C27H56NO7P"},{"Metabolite":"LysoPC(0:0/20:5)","Molecular formula":"C28H48NO7P"},{"Metabolite":"LysoPC(20:5/0:0)","Molecular formula":"C28H48NO7P"},{"Metabolite":"LysoPC(0:0/20:4)","Molecular formula":"C28H50NO7P"},{"Metabolite":"LysoPC(20:4/0:0)","Molecular formula":"C28H50NO7P"},{"Metabolite":"LysoPC(0:0/20:3)","Molecular formula":"C28H52NO7P"},{"Metabolite":"LysoPC(20:3/0:0)","Molecular formula":"C28H52NO7P"},{"Metabolite":"LysoPC(0:0/20:2)","Molecular formula":"C28H54NO7P"},{"Metabolite":"LysoPC(20:2/0:0)","Molecular formula":"C28H54NO7P"},{"Metabolite":"LysoPC(0:0/20:1)","Molecular formula":"C28H56NO7P"},{"Metabolite":"LysoPC(20:1/0:0)","Molecular formula":"C28H56NO7P"},{"Metabolite":"LysoPC(0:0/22:6)","Molecular formula":"C30H50NO7P"},{"Metabolite":"LysoPC(22:6/0:0)","Molecular formula":"C30H50NO7P"},{"Metabolite":"LysoPC(0:0/22:5n3)","Molecular formula":"C30H52NO7P"},{"Metabolite":"LysoPC(22:5n3/0:0)+LysoPC(0:0/22:5n6)","Molecular formula":"C30H52NO7P"},{"Metabolite":"LysoPC(22:5n6/0:0)","Molecular formula":"C30H52NO7P"},{"Metabolite":"LysoPC(0:0/22:4)","Molecular formula":"C30H54NO7P"},{"Metabolite":"LysoPC(22:4/0:0)","Molecular formula":"C30H54NO7P"},{"Metabolite":"LysoPE(0:0/16:0)","Molecular formula":"C21H44NO7P"},{"Metabolite":"LysoPE(16:0/0:0)","Molecular formula":"C21H44NO7P"},{"Metabolite":"LysoPE(17:0)","Molecular formula":"C22H46NO7P"},{"Metabolite":"LysoPE(0:0/18:2)","Molecular formula":"C23H44NO7P"},{"Metabolite":"LysoPE(18:2/0:0)","Molecular formula":"C23H44NO7P"},{"Metabolite":"LysoPE(0:0/18:1)","Molecular formula":"C23H46NO7P"},{"Metabolite":"LysoPE(18:1/0:0)","Molecular formula":"C23H46NO7P"},{"Metabolite":"LysoPE(0:0/18:0)","Molecular formula":"C23H48NO7P"},{"Metabolite":"LysoPE(18:0/0:0)","Molecular formula":"C23H48NO7P"},{"Metabolite":"LysoPE(0:0/20:4)","Molecular formula":"C25H44NO7P"},{"Metabolite":"LysoPE(20:4/0:0)","Molecular formula":"C25H44NO7P"},{"Metabolite":"LysoPE(0:0/20:3)","Molecular formula":"C25H46NO7P"},{"Metabolite":"LysoPE(20:3/0:0)","Molecular formula":"C25H46NO7P"},{"Metabolite":"LysoPE(0:0/20:2)","Molecular formula":"C25H48NO7P"},{"Metabolite":"LysoPE(20:2/0:0)","Molecular formula":"C25H48NO7P"},{"Metabolite":"LysoPE(0:0/20:1)","Molecular formula":"C25H50NO7P"},{"Metabolite":"LysoPE(20:1/0:0)","Molecular formula":"C25H50NO7P"},{"Metabolite":"LysoPE(0:0/22:6)","Molecular formula":"C27H44NO7P"},{"Metabolite":"LysoPE(22:6/0:0)","Molecular formula":"C27H44NO7P"},{"Metabolite":"LysoPE(0:0/22:5n3)","Molecular formula":"C27H46NO7P"},{"Metabolite":"LysoPE(22:5n3/0:0)+LysoPE(0:0/22:5n6)","Molecular formula":"C27H46NO7P"},{"Metabolite":"LysoPE(22:5n6/0:0)","Molecular formula":"C27H46NO7P"},{"Metabolite":"LysoPE(0:0/22:4)","Molecular formula":"C27H48NO7P"},{"Metabolite":"LysoPE(22:4/0:0)","Molecular formula":"C27H48NO7P"},{"Metabolite":"LysoPA(0:0/16:0)","Molecular formula":"C19H39O7P"},{"Metabolite":"LysoPA(16:0/0:0)","Molecular formula":"C19H39O7P"},{"Metabolite":"LysoPA(18:2/0:0)","Molecular formula":"C21H39O7P"},{"Metabolite":"LysoPA(0:0/18:1)","Molecular formula":"C21H41O7P"},{"Metabolite":"LysoPA(18:1/0:0)","Molecular formula":"C21H41O7P"},{"Metabolite":"LysoPA(20:4/0:0)","Molecular formula":"C23H39O7P"},{"Metabolite":"LysoPI(0:0/16:1)","Molecular formula":"C25H47O12P"},{"Metabolite":"LysoPI(16:1/0:0)","Molecular formula":"C25H47O12P"},{"Metabolite":"LysoPI(0:0/16:0)","Molecular formula":"C25H49O12P"},{"Metabolite":"LysoPI(16:0/0:0)","Molecular formula":"C25H49O12P"},{"Metabolite":"LysoPI(17:0/0:0)","Molecular formula":"C26H51O12P"},{"Metabolite":"LysoPI(18:3)","Molecular formula":"C27H47O12P"},{"Metabolite":"LysoPI(0:0/18:2)","Molecular formula":"C27H49O12P"},{"Metabolite":"LysoPI(18:2/0:0)","Molecular formula":"C27H49O12P"},{"Metabolite":"LysoPI(18:1)","Molecular formula":"C27H51O12P"},{"Metabolite":"LysoPI(0:0/18:0)","Molecular formula":"C27H53O12P"},{"Metabolite":"LysoPI(18:0/0:0)","Molecular formula":"C27H53O12P"},{"Metabolite":"LysoPI(20:5)","Molecular formula":"C29H47O12P"},{"Metabolite":"LysoPI(0:0/20:4)","Molecular formula":"C29H49O12P"},{"Metabolite":"LysoPI(20:4/0:0)","Molecular formula":"C29H49O12P"},{"Metabolite":"LysoPI(20:3)","Molecular formula":"C29H51O12P"},{"Metabolite":"LysoPI(20:2)","Molecular formula":"C29H53O12P"},{"Metabolite":"LysoPI(22:6)","Molecular formula":"C31H49O12P"},{"Metabolite":"LysoPI(22:4)","Molecular formula":"C31H53O12P"}]
}

}