{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001829","ANALYSIS_ID":"AN002968","VERSION":"1","CREATED_ON":"June 16, 2021, 3:23 pm"},

"PROJECT":{"PROJECT_TITLE":"Structural Library and Visualization of Endogenously Oxidized Phosphatidylcholines Using Mass Spectrometry-based Techniques","PROJECT_SUMMARY":"Although oxidized phosphatidylcholines (oxPCs) play critical roles in numerous pathological events, the type and production site(s) of endogenous oxPCs remain unknown because of the lack of related structural information and analytical methods. Herein, a library of 465 oxPCs was constructed using high-resolution mass spectrometry (HRMS)-based analytical methods and employed to detect 70 oxPCs in mice with acetaminophen-induced acute liver failure.","INSTITUTE":"Kyushu university","LAST_NAME":"Matsuoka","FIRST_NAME":"Yuta","ADDRESS":"3-1-1 Maidashi Higashi-ku","EMAIL":"ymatsu1205@gmail.com","PHONE":"+81-92-642-6624"},

"STUDY":{"STUDY_TITLE":"Analysis and annotation of oxidized PCs generated in vitro.","STUDY_SUMMARY":"Oxidized PC16:0/PUFA (18:2, 20:4 and 22:6) generated in vitro were analyzed by LC/HRMS/MS analysis.All mass spectrometry raw data obtained in this study were deposited.","INSTITUTE":"Kyushu university","LAST_NAME":"Matsuoka","FIRST_NAME":"Yuta","ADDRESS":"3-1-1 Maidashi Higashi-ku","EMAIL":"ymatsu1205@gmail.com","PHONE":"+81-92-642-6624"},

"SUBJECT":{"SUBJECT_TYPE":"Synthetic sample"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"S1_0001",
"Factors":{"Treatments":"PC16;0/18;2, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"precursor ion screening_negative ion_MS_PLPC con"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0002",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"precursor ion screening_negative ion_MS_PLPC AAPH hemin"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0003",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PLPC AAPH hemin1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0004",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PLPC AAPH hemin2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0005",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PLPC AAPH hemin3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0006",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PLPC AAPH hemin4"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0007",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_positive ion_MSMS_PLPC AAPH hemin1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0008",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_positive ion_MSMS_PLPC AAPH hemin2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0009",
"Factors":{"Treatments":"PC16;0/20;4, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"precursor ion screening_negative ion_MS_PAPC con"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0010",
"Factors":{"Treatments":"PC16;0/20;4, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"precursor ion screening_negative ion_MS_PAPC AAPH hemin"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0011",
"Factors":{"Treatments":"PC16;0/20;4, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PAPC AAPH hemin1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0012",
"Factors":{"Treatments":"PC16;0/20;4, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PAPC AAPH hemin2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0013",
"Factors":{"Treatments":"PC16;0/20;4, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PAPC AAPH hemin3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0014",
"Factors":{"Treatments":"PC16;0/20;4, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PAPC AAPH hemin4"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0015",
"Factors":{"Treatments":"PC16;0/20;4, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PAPC AAPH hemin5"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0016",
"Factors":{"Treatments":"PC16;0/20;4, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_positive ion_MSMS_PAPC AAPH hemin1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0017",
"Factors":{"Treatments":"PC16;0/20;4, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_positive ion_MSMS_PAPC AAPH hemin2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0018",
"Factors":{"Treatments":"PC16;0/22;6, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"precursor ion screening_negative ion_MS_PDPC con"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0019",
"Factors":{"Treatments":"PC16;0/22;6, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"precursor ion screening_negative ion_MS_PDPC AAPH hemin"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0020",
"Factors":{"Treatments":"PC16;0/22;6, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PDPC AAPH hemin1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0021",
"Factors":{"Treatments":"PC16;0/22;6, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PDPC AAPH hemin2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0022",
"Factors":{"Treatments":"PC16;0/22;6, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PDPC AAPH hemin3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0023",
"Factors":{"Treatments":"PC16;0/22;6, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PDPC AAPH hemin4"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0024",
"Factors":{"Treatments":"PC16;0/22;6, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PDPC AAPH hemin5"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0025",
"Factors":{"Treatments":"PC16;0/22;6, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_negative ion_MSMS_PDPC AAPH hemin6"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0026",
"Factors":{"Treatments":"PC16;0/22;6, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_positive ion_MSMS_PDPC AAPH hemin1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0027",
"Factors":{"Treatments":"PC16;0/22;6, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"product ion screening_positive ion_MSMS_PDPC AAPH hemin2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0028",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_PLPC_AAPH hemin"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0029",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_PRM_PLPC_AAPH hemin"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0030",
"Factors":{"Treatments":"PC16;0/18;2, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_control1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0031",
"Factors":{"Treatments":"PC16;0/18;2, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_control2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0032",
"Factors":{"Treatments":"PC16;0/18;2, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_control3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0033",
"Factors":{"Treatments":"PC16;0/18;2, AAPH","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_AAPH1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0034",
"Factors":{"Treatments":"PC16;0/18;2, AAPH","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_AAPH2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0035",
"Factors":{"Treatments":"PC16;0/18;2, AAPH","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_AAPH3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0036",
"Factors":{"Treatments":"PC16;0/18;2, Autoxidation","Treatment times":"24h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_Autoxidation1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0037",
"Factors":{"Treatments":"PC16;0/18;2, Autoxidation","Treatment times":"24h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_Autoxidation2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0038",
"Factors":{"Treatments":"PC16;0/18;2, Autoxidation","Treatment times":"24h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_Autoxidation3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0039",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_AAPH hemin1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0040",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_AAPH hemin2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0041",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_AAPH hemin3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0042",
"Factors":{"Treatments":"PC16;0/18;2, CuSO4+AsA","Treatment times":"72h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_CuSO4 AsA1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0043",
"Factors":{"Treatments":"PC16;0/18;2, CuSO4+AsA","Treatment times":"72h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_CuSO4 AsA2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0044",
"Factors":{"Treatments":"PC16;0/18;2, CuSO4+AsA","Treatment times":"72h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"negative ion_PRM_oxPC_CuSO4 AsA3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0045",
"Factors":{"Treatments":"PC16;0/18;2, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_control1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0046",
"Factors":{"Treatments":"PC16;0/18;2, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_control2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0047",
"Factors":{"Treatments":"PC16;0/18;2, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_control3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0048",
"Factors":{"Treatments":"PC16;0/18;2, AAPH","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_AAPH1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0049",
"Factors":{"Treatments":"PC16;0/18;2, AAPH","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_AAPH2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0050",
"Factors":{"Treatments":"PC16;0/18;2, AAPH","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_AAPH3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0051",
"Factors":{"Treatments":"PC16;0/18;2, Autoxidation","Treatment times":"24h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_Autoxidation1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0052",
"Factors":{"Treatments":"PC16;0/18;2, Autoxidation","Treatment times":"24h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_Autoxidation2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0053",
"Factors":{"Treatments":"PC16;0/18;2, Autoxidation","Treatment times":"24h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_Autoxidation3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0054",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_AAPH hemin1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0055",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_AAPH hemin2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0056",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_AAPH hemin3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0057",
"Factors":{"Treatments":"PC16;0/18;2, CuSO4+AsA","Treatment times":"72h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_CuSO4 AsA1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0058",
"Factors":{"Treatments":"PC16;0/18;2, CuSO4+AsA","Treatment times":"72h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_CuSO4 AsA2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0059",
"Factors":{"Treatments":"PC16;0/18;2, CuSO4+AsA","Treatment times":"72h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_oxPC_CuSO4 AsA3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0060",
"Factors":{"Treatments":"PC16;0/18;2, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_control1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0061",
"Factors":{"Treatments":"PC16;0/18;2, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_control2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0062",
"Factors":{"Treatments":"PC16;0/18;2, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_control3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0063",
"Factors":{"Treatments":"PC16;0/18;2, AAPH","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_AAPH1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0064",
"Factors":{"Treatments":"PC16;0/18;2, AAPH","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_AAPH2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0065",
"Factors":{"Treatments":"PC16;0/18;2, AAPH","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_AAPH3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0066",
"Factors":{"Treatments":"PC16;0/18;2, Autoxidation","Treatment times":"24h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_Autoxidation1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0067",
"Factors":{"Treatments":"PC16;0/18;2, Autoxidation","Treatment times":"24h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_Autoxidation2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0068",
"Factors":{"Treatments":"PC16;0/18;2, Autoxidation","Treatment times":"24h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_Autoxidation3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0069",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_AAPH hemin1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0070",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_AAPH hemin2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0071",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_AAPH hemin3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0072",
"Factors":{"Treatments":"PC16;0/18;2, CuSO4+AsA","Treatment times":"72h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_CuSO4 AsA1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0073",
"Factors":{"Treatments":"PC16;0/18;2, CuSO4+AsA","Treatment times":"72h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_CuSO4 AsA2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0074",
"Factors":{"Treatments":"PC16;0/18;2, CuSO4+AsA","Treatment times":"72h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan_PC_CuSO4 AsA3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0075",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan MSMS_PLPC AAPH hemin normal air"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0076",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"18O2 air"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion_Full scan MSMS_PLPC AAPH hemin 18O2 air"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0077",
"Factors":{"Treatments":"PC16;0/18;2, control","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"MALDI_positive ion_MSMS_PLPC con"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0078",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"normal air"},
"Additional sample data":{"RAW_FILE_NAME":"MALDI_positive ion_MSMS_PLPC AAPH hemin normal air"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0079",
"Factors":{"Treatments":"PC16;0/18;2, AAPH+hemin","Treatment times":"4h","Air conditions":"18O2 air"},
"Additional sample data":{"RAW_FILE_NAME":"MALDI_positive ion_MSMS_PLPC AAPH hemin 18O2 air"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0080",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_200nM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0081",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_200nM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0082",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_200nM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0083",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_1uM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0084",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_1uM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0085",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_1uM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0086",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_2uM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0087",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_2uM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0088",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_2uM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0089",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_10uM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0090",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_10uM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0091",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_10uM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0092",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_20uM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0093",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_20uM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0094",
"Factors":{"Treatments":"PC15;0/18;1-d7","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_PC15 0 18 1d7_20uM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0095",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_200nM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0096",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_200nM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0097",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_200nM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0098",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_1uM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0099",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_1uM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0100",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_1uM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0101",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_2uM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0102",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_2uM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0103",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_2uM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0104",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_10uM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0105",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_10uM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0106",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_10uM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0107",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_20uM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0108",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_20uM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0109",
"Factors":{"Treatments":"Standard PCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard PC_20uM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0110",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_200nM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0111",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_200nM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0112",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_200nM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0113",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_1uM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0114",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_1uM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0115",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_1uM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0116",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_2uM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0117",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_2uM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0118",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_2uM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0119",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_10uM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0120",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_10uM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0121",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_10uM3"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0122",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_20uM1"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0123",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_20uM2"}
},
{
"Subject ID":"-",
"Sample ID":"S1_0124",
"Factors":{"Treatments":"Standard oxPCs","Treatment times":"no treatment","Air conditions":"-"},
"Additional sample data":{"RAW_FILE_NAME":"positive ion negative ion_Full scan_standard oxPC_20uM3"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"PC16:0/18:2, PC16:0/20:4, and PC16:0/22:6 were purchased from Avanti Polar Lipids (Albaster, AL). Each PC was oxidized by using several LPO systems, such as AAPH, autoxidation, AAPH+hemin and CuSO4+AsA.","SAMPLE_TYPE":"Standard phosphadylcholines"},

"TREATMENT":{"TREATMENT_SUMMARY":"For in vitro experiments, a mixture containing 500 µM PC16:0/PUFAs (PC16:0/18:2, PC16:0/20:4, and PC16:0/22:6), 0.5% ethanol, and either 50 mM AAPH or 50 mM AAPH + 10 µM hemin was incubated in phosphate-buffered saline (PBS; pH 7.4) at 37 °C under normal or 18O2 air. For autoxidation, a solution of 500 nmol of PC16:0/18:2 in chloroform (1 mL) was immediately dried using nitrogen gas in a glass tube. The dried samples were incubated at 37 °C for 24 h and then resuspended in methanol (200 µL). For CuSO4 + AsA–induced peroxidation, a solution containing 500 µM PC16:0/18:2 and 500 µM CuSO4 + 1 mM AsA was incubated in PBS (pH 7.4) at 37 °C for 72 h."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"For in vitro experiments, the reaction solutions were extracted using the modified Bligh and Dyer method. Briefly, a mixed solution of 1 mL methanol and 1 mL chloroform, containing 100 μM dibutylhydroxytoluene and ethylenediaminetetraacetic acid as antioxidants, and 100 nM PC15:0/18:1-d7 as an internal standard was added to the reaction solution. After 1 min vortex, the organic layer was collected in a glass tube. The extracted solution was dried under a stream of nitrogen gas, and the residue was dissolved in methanol (200 µL) and stored at −80 °C before injection into the HPLC column."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Nexera LC system (Shimadzu Co., Kyoto, Japan)","COLUMN_NAME":"Inertsil ODS-P (2.1 × 150 mm, particle size = 3 µm, GL Sciences, Tokyo, Japan)"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Individual oxPCs were identified by full-scan MS/data-dependent MS/MS or parallel reaction monitoring (PRM). The ionization conditions were as follows: ionization mode = positive, sheath gas flow rate = 40 arbitrary units, auxiliary gas flow rate = 10 arbitrary units, spray voltage = 2000 V, capillary temperature = 265 °C, S-lens level = 50, and heater temperature = 425 °C. The experimental conditions for full-scan MS were as follows: resolving power = 70000, automatic gain control target = 1 × 106, trap fill time = 100 ms, scan range = m/z 120–1500. The experimental conditions for MS/MS and PRM were as follows: resolving power = 17500, automatic gain control target = 1 × 106, trap fill time = 80 ms, isolation width = ±0.6 Da, fixed first mass = m/z 80, normalized collision energy = 20 or 35 eV, intensity threshold of precursor ions for MS/MS analysis = 3100, apex trigger = 2–4 s, and dynamic exclusion = 2 s. The intensity threshold of precursor ions for MS/MS analysis and the dynamic exclusion were set to 1 × 104 and 1 s, respectively. LC/HRMS/MS analysis was controlled using Xcalibur 4.2.47 software (Thermo Fisher Scientific)."},

"MS_METABOLITE_DATA":{
"Units":"Normalized amount",

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