#METABOLOMICS WORKBENCH ymatsu1205_20210613_000317 DATATRACK_ID:2687 STUDY_ID:ST001829 ANALYSIS_ID:AN002968 PROJECT_ID:PR001156
VERSION             	1
CREATED_ON             	June 16, 2021, 3:23 pm
#PROJECT
PR:PROJECT_TITLE                 	Structural Library and Visualization of Endogenously Oxidized
PR:PROJECT_TITLE                 	Phosphatidylcholines Using Mass Spectrometry-based Techniques
PR:PROJECT_SUMMARY               	Although oxidized phosphatidylcholines (oxPCs) play critical roles in numerous
PR:PROJECT_SUMMARY               	pathological events, the type and production site(s) of endogenous oxPCs remain
PR:PROJECT_SUMMARY               	unknown because of the lack of related structural information and analytical
PR:PROJECT_SUMMARY               	methods. Herein, a library of 465 oxPCs was constructed using high-resolution
PR:PROJECT_SUMMARY               	mass spectrometry (HRMS)-based analytical methods and employed to detect 70
PR:PROJECT_SUMMARY               	oxPCs in mice with acetaminophen-induced acute liver failure.
PR:INSTITUTE                     	Kyushu university
PR:LAST_NAME                     	Matsuoka
PR:FIRST_NAME                    	Yuta
PR:ADDRESS                       	3-1-1 Maidashi Higashi-ku
PR:EMAIL                         	ymatsu1205@gmail.com
PR:PHONE                         	+81-92-642-6624
#STUDY
ST:STUDY_TITLE                   	Analysis and annotation of oxidized PCs generated in vitro.
ST:STUDY_SUMMARY                 	Oxidized PC16:0/PUFA (18:2, 20:4 and 22:6) generated in vitro were analyzed by
ST:STUDY_SUMMARY                 	LC/HRMS/MS analysis.All mass spectrometry raw data obtained in this study were
ST:STUDY_SUMMARY                 	deposited.
ST:INSTITUTE                     	Kyushu university
ST:LAST_NAME                     	Matsuoka
ST:FIRST_NAME                    	Yuta
ST:ADDRESS                       	3-1-1 Maidashi Higashi-ku
ST:EMAIL                         	ymatsu1205@gmail.com
ST:PHONE                         	+81-92-642-6624
#SUBJECT
SU:SUBJECT_TYPE                  	Synthetic sample
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	S1_0001	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=precursor ion screening_negative ion_MS_PLPC con
SUBJECT_SAMPLE_FACTORS           	-	S1_0002	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=precursor ion screening_negative ion_MS_PLPC AAPH hemin
SUBJECT_SAMPLE_FACTORS           	-	S1_0003	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PLPC AAPH hemin1
SUBJECT_SAMPLE_FACTORS           	-	S1_0004	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PLPC AAPH hemin2
SUBJECT_SAMPLE_FACTORS           	-	S1_0005	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PLPC AAPH hemin3
SUBJECT_SAMPLE_FACTORS           	-	S1_0006	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PLPC AAPH hemin4
SUBJECT_SAMPLE_FACTORS           	-	S1_0007	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_positive ion_MSMS_PLPC AAPH hemin1
SUBJECT_SAMPLE_FACTORS           	-	S1_0008	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_positive ion_MSMS_PLPC AAPH hemin2
SUBJECT_SAMPLE_FACTORS           	-	S1_0009	Treatments:PC16;0/20;4, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=precursor ion screening_negative ion_MS_PAPC con
SUBJECT_SAMPLE_FACTORS           	-	S1_0010	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=precursor ion screening_negative ion_MS_PAPC AAPH hemin
SUBJECT_SAMPLE_FACTORS           	-	S1_0011	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PAPC AAPH hemin1
SUBJECT_SAMPLE_FACTORS           	-	S1_0012	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PAPC AAPH hemin2
SUBJECT_SAMPLE_FACTORS           	-	S1_0013	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PAPC AAPH hemin3
SUBJECT_SAMPLE_FACTORS           	-	S1_0014	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PAPC AAPH hemin4
SUBJECT_SAMPLE_FACTORS           	-	S1_0015	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PAPC AAPH hemin5
SUBJECT_SAMPLE_FACTORS           	-	S1_0016	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_positive ion_MSMS_PAPC AAPH hemin1
SUBJECT_SAMPLE_FACTORS           	-	S1_0017	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_positive ion_MSMS_PAPC AAPH hemin2
SUBJECT_SAMPLE_FACTORS           	-	S1_0018	Treatments:PC16;0/22;6, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=precursor ion screening_negative ion_MS_PDPC con
SUBJECT_SAMPLE_FACTORS           	-	S1_0019	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=precursor ion screening_negative ion_MS_PDPC AAPH hemin
SUBJECT_SAMPLE_FACTORS           	-	S1_0020	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PDPC AAPH hemin1
SUBJECT_SAMPLE_FACTORS           	-	S1_0021	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PDPC AAPH hemin2
SUBJECT_SAMPLE_FACTORS           	-	S1_0022	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PDPC AAPH hemin3
SUBJECT_SAMPLE_FACTORS           	-	S1_0023	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PDPC AAPH hemin4
SUBJECT_SAMPLE_FACTORS           	-	S1_0024	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PDPC AAPH hemin5
SUBJECT_SAMPLE_FACTORS           	-	S1_0025	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_negative ion_MSMS_PDPC AAPH hemin6
SUBJECT_SAMPLE_FACTORS           	-	S1_0026	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_positive ion_MSMS_PDPC AAPH hemin1
SUBJECT_SAMPLE_FACTORS           	-	S1_0027	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=product ion screening_positive ion_MSMS_PDPC AAPH hemin2
SUBJECT_SAMPLE_FACTORS           	-	S1_0028	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_PLPC_AAPH hemin
SUBJECT_SAMPLE_FACTORS           	-	S1_0029	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_PRM_PLPC_AAPH hemin
SUBJECT_SAMPLE_FACTORS           	-	S1_0030	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=negative ion_PRM_oxPC_control1
SUBJECT_SAMPLE_FACTORS           	-	S1_0031	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=negative ion_PRM_oxPC_control2
SUBJECT_SAMPLE_FACTORS           	-	S1_0032	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=negative ion_PRM_oxPC_control3
SUBJECT_SAMPLE_FACTORS           	-	S1_0033	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_oxPC_AAPH1
SUBJECT_SAMPLE_FACTORS           	-	S1_0034	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_oxPC_AAPH2
SUBJECT_SAMPLE_FACTORS           	-	S1_0035	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_oxPC_AAPH3
SUBJECT_SAMPLE_FACTORS           	-	S1_0036	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_oxPC_Autoxidation1
SUBJECT_SAMPLE_FACTORS           	-	S1_0037	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_oxPC_Autoxidation2
SUBJECT_SAMPLE_FACTORS           	-	S1_0038	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_oxPC_Autoxidation3
SUBJECT_SAMPLE_FACTORS           	-	S1_0039	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_oxPC_AAPH hemin1
SUBJECT_SAMPLE_FACTORS           	-	S1_0040	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_oxPC_AAPH hemin2
SUBJECT_SAMPLE_FACTORS           	-	S1_0041	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_oxPC_AAPH hemin3
SUBJECT_SAMPLE_FACTORS           	-	S1_0042	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_oxPC_CuSO4 AsA1
SUBJECT_SAMPLE_FACTORS           	-	S1_0043	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_oxPC_CuSO4 AsA2
SUBJECT_SAMPLE_FACTORS           	-	S1_0044	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	RAW_FILE_NAME=negative ion_PRM_oxPC_CuSO4 AsA3
SUBJECT_SAMPLE_FACTORS           	-	S1_0045	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion_Full scan_oxPC_control1
SUBJECT_SAMPLE_FACTORS           	-	S1_0046	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion_Full scan_oxPC_control2
SUBJECT_SAMPLE_FACTORS           	-	S1_0047	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion_Full scan_oxPC_control3
SUBJECT_SAMPLE_FACTORS           	-	S1_0048	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_oxPC_AAPH1
SUBJECT_SAMPLE_FACTORS           	-	S1_0049	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_oxPC_AAPH2
SUBJECT_SAMPLE_FACTORS           	-	S1_0050	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_oxPC_AAPH3
SUBJECT_SAMPLE_FACTORS           	-	S1_0051	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_oxPC_Autoxidation1
SUBJECT_SAMPLE_FACTORS           	-	S1_0052	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_oxPC_Autoxidation2
SUBJECT_SAMPLE_FACTORS           	-	S1_0053	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_oxPC_Autoxidation3
SUBJECT_SAMPLE_FACTORS           	-	S1_0054	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_oxPC_AAPH hemin1
SUBJECT_SAMPLE_FACTORS           	-	S1_0055	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_oxPC_AAPH hemin2
SUBJECT_SAMPLE_FACTORS           	-	S1_0056	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_oxPC_AAPH hemin3
SUBJECT_SAMPLE_FACTORS           	-	S1_0057	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_oxPC_CuSO4 AsA1
SUBJECT_SAMPLE_FACTORS           	-	S1_0058	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_oxPC_CuSO4 AsA2
SUBJECT_SAMPLE_FACTORS           	-	S1_0059	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_oxPC_CuSO4 AsA3
SUBJECT_SAMPLE_FACTORS           	-	S1_0060	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion_Full scan_PC_control1
SUBJECT_SAMPLE_FACTORS           	-	S1_0061	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion_Full scan_PC_control2
SUBJECT_SAMPLE_FACTORS           	-	S1_0062	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion_Full scan_PC_control3
SUBJECT_SAMPLE_FACTORS           	-	S1_0063	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_PC_AAPH1
SUBJECT_SAMPLE_FACTORS           	-	S1_0064	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_PC_AAPH2
SUBJECT_SAMPLE_FACTORS           	-	S1_0065	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_PC_AAPH3
SUBJECT_SAMPLE_FACTORS           	-	S1_0066	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_PC_Autoxidation1
SUBJECT_SAMPLE_FACTORS           	-	S1_0067	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_PC_Autoxidation2
SUBJECT_SAMPLE_FACTORS           	-	S1_0068	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_PC_Autoxidation3
SUBJECT_SAMPLE_FACTORS           	-	S1_0069	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_PC_AAPH hemin1
SUBJECT_SAMPLE_FACTORS           	-	S1_0070	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_PC_AAPH hemin2
SUBJECT_SAMPLE_FACTORS           	-	S1_0071	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_PC_AAPH hemin3
SUBJECT_SAMPLE_FACTORS           	-	S1_0072	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_PC_CuSO4 AsA1
SUBJECT_SAMPLE_FACTORS           	-	S1_0073	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_PC_CuSO4 AsA2
SUBJECT_SAMPLE_FACTORS           	-	S1_0074	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan_PC_CuSO4 AsA3
SUBJECT_SAMPLE_FACTORS           	-	S1_0075	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=positive ion_Full scan MSMS_PLPC AAPH hemin normal air
SUBJECT_SAMPLE_FACTORS           	-	S1_0076	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:18O2 air	RAW_FILE_NAME=positive ion_Full scan MSMS_PLPC AAPH hemin 18O2 air
SUBJECT_SAMPLE_FACTORS           	-	S1_0077	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=MALDI_positive ion_MSMS_PLPC con
SUBJECT_SAMPLE_FACTORS           	-	S1_0078	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	RAW_FILE_NAME=MALDI_positive ion_MSMS_PLPC AAPH hemin normal air
SUBJECT_SAMPLE_FACTORS           	-	S1_0079	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:18O2 air	RAW_FILE_NAME=MALDI_positive ion_MSMS_PLPC AAPH hemin 18O2 air
SUBJECT_SAMPLE_FACTORS           	-	S1_0080	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_200nM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0081	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_200nM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0082	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_200nM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0083	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_1uM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0084	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_1uM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0085	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_1uM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0086	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_2uM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0087	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_2uM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0088	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_2uM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0089	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_10uM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0090	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_10uM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0091	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_10uM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0092	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_20uM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0093	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_20uM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0094	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_PC15 0 18 1d7_20uM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0095	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_200nM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0096	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_200nM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0097	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_200nM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0098	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_1uM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0099	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_1uM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0100	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_1uM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0101	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_2uM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0102	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_2uM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0103	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_2uM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0104	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_10uM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0105	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_10uM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0106	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_10uM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0107	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_20uM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0108	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_20uM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0109	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard PC_20uM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0110	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_200nM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0111	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_200nM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0112	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_200nM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0113	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_1uM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0114	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_1uM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0115	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_1uM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0116	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_2uM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0117	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_2uM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0118	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_2uM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0119	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_10uM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0120	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_10uM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0121	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_10uM3
SUBJECT_SAMPLE_FACTORS           	-	S1_0122	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_20uM1
SUBJECT_SAMPLE_FACTORS           	-	S1_0123	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_20uM2
SUBJECT_SAMPLE_FACTORS           	-	S1_0124	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	RAW_FILE_NAME=positive ion negative ion_Full scan_standard oxPC_20uM3
#COLLECTION
CO:COLLECTION_SUMMARY            	PC16:0/18:2, PC16:0/20:4, and PC16:0/22:6 were purchased from Avanti Polar
CO:COLLECTION_SUMMARY            	Lipids (Albaster, AL). Each PC was oxidized by using several LPO systems, such
CO:COLLECTION_SUMMARY            	as AAPH, autoxidation, AAPH+hemin and CuSO4+AsA.
CO:SAMPLE_TYPE                   	Standard phosphadylcholines
#TREATMENT
TR:TREATMENT_SUMMARY             	For in vitro experiments, a mixture containing 500 µM PC16:0/PUFAs
TR:TREATMENT_SUMMARY             	(PC16:0/18:2, PC16:0/20:4, and PC16:0/22:6), 0.5% ethanol, and either 50 mM AAPH
TR:TREATMENT_SUMMARY             	or 50 mM AAPH + 10 µM hemin was incubated in phosphate-buffered saline (PBS; pH
TR:TREATMENT_SUMMARY             	7.4) at 37 °C under normal or 18O2 air. For autoxidation, a solution of 500
TR:TREATMENT_SUMMARY             	nmol of PC16:0/18:2 in chloroform (1 mL) was immediately dried using nitrogen
TR:TREATMENT_SUMMARY             	gas in a glass tube. The dried samples were incubated at 37 °C for 24 h and
TR:TREATMENT_SUMMARY             	then resuspended in methanol (200 µL). For CuSO4 + AsA–induced peroxidation,
TR:TREATMENT_SUMMARY             	a solution containing 500 µM PC16:0/18:2 and 500 µM CuSO4 + 1 mM AsA was
TR:TREATMENT_SUMMARY             	incubated in PBS (pH 7.4) at 37 °C for 72 h.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For in vitro experiments, the reaction solutions were extracted using the
SP:SAMPLEPREP_SUMMARY            	modified Bligh and Dyer method. Briefly, a mixed solution of 1 mL methanol and 1
SP:SAMPLEPREP_SUMMARY            	mL chloroform, containing 100 μM dibutylhydroxytoluene and
SP:SAMPLEPREP_SUMMARY            	ethylenediaminetetraacetic acid as antioxidants, and 100 nM PC15:0/18:1-d7 as an
SP:SAMPLEPREP_SUMMARY            	internal standard was added to the reaction solution. After 1 min vortex, the
SP:SAMPLEPREP_SUMMARY            	organic layer was collected in a glass tube. The extracted solution was dried
SP:SAMPLEPREP_SUMMARY            	under a stream of nitrogen gas, and the residue was dissolved in methanol (200
SP:SAMPLEPREP_SUMMARY            	µL) and stored at −80 °C before injection into the HPLC column.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Nexera LC system (Shimadzu Co., Kyoto, Japan)
CH:COLUMN_NAME                   	Inertsil ODS-P (2.1 × 150 mm, particle size = 3 µm, GL Sciences, Tokyo, Japan)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Individual oxPCs were identified by full-scan MS/data-dependent MS/MS or
MS:MS_COMMENTS                   	parallel reaction monitoring (PRM). The ionization conditions were as follows:
MS:MS_COMMENTS                   	ionization mode = positive, sheath gas flow rate = 40 arbitrary units, auxiliary
MS:MS_COMMENTS                   	gas flow rate = 10 arbitrary units, spray voltage = 2000 V, capillary
MS:MS_COMMENTS                   	temperature = 265 °C, S-lens level = 50, and heater temperature = 425 °C. The
MS:MS_COMMENTS                   	experimental conditions for full-scan MS were as follows: resolving power =
MS:MS_COMMENTS                   	70000, automatic gain control target = 1 × 106, trap fill time = 100 ms, scan
MS:MS_COMMENTS                   	range = m/z 120–1500. The experimental conditions for MS/MS and PRM were as
MS:MS_COMMENTS                   	follows: resolving power = 17500, automatic gain control target = 1 × 106, trap
MS:MS_COMMENTS                   	fill time = 80 ms, isolation width = ±0.6 Da, fixed first mass = m/z 80,
MS:MS_COMMENTS                   	normalized collision energy = 20 or 35 eV, intensity threshold of precursor ions
MS:MS_COMMENTS                   	for MS/MS analysis = 3100, apex trigger = 2–4 s, and dynamic exclusion = 2 s.
MS:MS_COMMENTS                   	The intensity threshold of precursor ions for MS/MS analysis and the dynamic
MS:MS_COMMENTS                   	exclusion were set to 1 × 104 and 1 s, respectively. LC/HRMS/MS analysis was
MS:MS_COMMENTS                   	controlled using Xcalibur 4.2.47 software (Thermo Fisher Scientific).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Normalized amount
MS_METABOLITE_DATA_START
Samples	S1_0001	S1_0002	S1_0003	S1_0004	S1_0005	S1_0006	S1_0007	S1_0008	S1_0009	S1_0010	S1_0011	S1_0012	S1_0013	S1_0014	S1_0015	S1_0016	S1_0017	S1_0018	S1_0019	S1_0020	S1_0021	S1_0022	S1_0023	S1_0024	S1_0025	S1_0026	S1_0027	S1_0028	S1_0029	S1_0030	S1_0031	S1_0032	S1_0033	S1_0034	S1_0035	S1_0036	S1_0037	S1_0038	S1_0039	S1_0040	S1_0041	S1_0042	S1_0043	S1_0044	S1_0045	S1_0046	S1_0047	S1_0048	S1_0049	S1_0050	S1_0051	S1_0052	S1_0053	S1_0054	S1_0055	S1_0056	S1_0057	S1_0058	S1_0059	S1_0060	S1_0061	S1_0062	S1_0063	S1_0064	S1_0065	S1_0066	S1_0067	S1_0068	S1_0069	S1_0070	S1_0071	S1_0072	S1_0073	S1_0074	S1_0075	S1_0076	S1_0077	S1_0078	S1_0079	S1_0080	S1_0081	S1_0082	S1_0083	S1_0084	S1_0085	S1_0086	S1_0087	S1_0088	S1_0089	S1_0090	S1_0091	S1_0092	S1_0093	S1_0094	S1_0095	S1_0096	S1_0097	S1_0098	S1_0099	S1_0100	S1_0101	S1_0102	S1_0103	S1_0104	S1_0105	S1_0106	S1_0107	S1_0108	S1_0109	S1_0110	S1_0111	S1_0112	S1_0113	S1_0114	S1_0115	S1_0116	S1_0117	S1_0118	S1_0119	S1_0120	S1_0121	S1_0122	S1_0123	S1_0124
Factors	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/20;4, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/20;4, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/22;6, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/22;6, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	Treatments:PC16;0/18;2, Autoxidation | Treatment times:24h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	Treatments:PC16;0/18;2, CuSO4+AsA | Treatment times:72h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:18O2 air	Treatments:PC16;0/18;2, control | Treatment times:no treatment | Air conditions:-	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:normal air	Treatments:PC16;0/18;2, AAPH+hemin | Treatment times:4h | Air conditions:18O2 air	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:PC15;0/18;1-d7 | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard PCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-	Treatments:Standard oxPCs | Treatment times:no treatment | Air conditions:-
PC24:0;COOH	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.01939715	0.021907097	0.021234907	0.086708411	0.088320668	0.087136313	0.240302287	0.251982018	0.244859273	1.553791834	1.575083352	1.535079424	1.161844162	1.163997712	1.152347525	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC25:0;COOH	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.032167698	0.030059041	0.031289369	1.63961793	1.745614396	1.748072194	2.271111721	2.260884629	2.266965549	11.01314825	11.05816912	10.25213497	9.177702267	8.34741371	8.529442074	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC26:1;COOH	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000715024	0.000634575	0.00081164	0.560599917	0.59107996	0.554222906	0.154197674	0.152781815	0.150942856	1.437575047	1.391968104	1.293482641	0.546142951	0.542144712	0.524946078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC26:1;O;COOH	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.002248889	0.002460063	0.002976932	0.041967909	0.041615265	0.047312848	0.048078945	0.047280742	0.049392405	0.309921471	0.315849359	0.302128355	0.107732315	0.110125072	0.10922715	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC27:2;O;COOH	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.042833771	0.041216055	0.04078363	0.024212121	0.023876457	0.023608417	0.057839491	0.05432122	0.051725981	0.112432518	0.111096124	0.114247547	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC27:1;O;COOH	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000181618	0.000213098	7.76793E-05	0.280919071	0.286901779	0.29551691	0.262731405	0.259351876	0.257298159	1.234981706	1.230697587	1.174972136	0.724561111	0.753846076	0.769082005	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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PC34:2;O2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.283960596	0.26700234	0.263201116	121.3316975	123.6277405	121.4681982	27.36015059	26.36282548	26.34587992	100.0297617	102.071195	100.7166627	75.45910118	70.86082706	73.36464855	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC34:2;O3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12.11656145	12.79554127	12.18943105	6.743660627	6.933821902	6.8763134	21.7939413	21.57840904	21.03275165	44.84182178	44.40952835	44.42370701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC34:2;O4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.016682121	0.016951738	0.015993546	15.15543605	15.15333446	14.32118539	5.123055063	5.20064362	5.228342168	2.732749046	2.598976145	2.57196387	13.81171489	13.09996813	13.32391438	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC34:2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	457.0423407	450.2607439	453.6100385	403.0322152	423.2983014	405.2282703	355.7505167	350.7097526	344.2806576	196.2536069	188.2634677	205.393375	87.95361427	87.27289663	93.76302773	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC16:0/9:0;9oxo	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5796844	6110182	5597067	32370828	36913641	33593362	66899080	67316116	66660957	396121454	372319717	363395410	714494395	711647105	701507879
PC16:0/5:0;5oxo	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4434941	4587121	4424582	26435620	30255752	26820397	54998120	56422050	56292506	330218947	315911465	309177923	585985127	583986520	590678172
PC16:0/2:0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6084185	6327893	6284650	39294705	39511738	40728462	90808229	89121352	90594651	493926929	487201735	524590464	1050543101	1062619850	1067049080	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC16:0/14:0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4132857	4273958	4295079	29679941	30300211	31599179	68797224	72859466	73998532	399001565	397573553	405325752	824578926	845945743	866175836	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC16:0/18:0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5196149	5456521	5731326	35800556	38406522	36489087	85371500	86464638	85045899	463746812	466838143	460221127	990961987	1006388324	1032609716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC16:0/18:1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5632300	5381288	5262468	33104068	33540155	33893831	79561559	78561412	80793043	432036129	424046596	433719421	898180237	902169407	899669947	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PC15:0/18:1(d7)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4073867	3415956	2950358	19794246	20369506	20133248	44990505	43528364	43707353	266105352	253394116	256068737	527790672	543116642	530371198	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
PC24:0;COOH
PC25:0;COOH
PC26:1;COOH
PC26:1;O;COOH
PC27:2;O;COOH
PC27:1;O;COOH
PC28:2;O;COOH
PC29:2;O;COOH
PC28:1;O2;COOH
PC24:0
PC24:1;O
PC24:0;O
PC25:1;O
PC24:0;O2
PC26:2;O
PC27:2;O
PC28:2;O
PC27:2;O2
PC27:1;O2
PC26:1;O3
PC26:0;O3
PC28:3;O2
PC28:2;O2
PC29:3;O2
PC28:2;O3
PC34:3;O
PC34:3;O2
PC34:3;O3
PC34:2;O
PC34:2;O2
PC34:2;O3
PC34:2;O4
PC34:2
PC16:0/9:0;9oxo
PC16:0/5:0;5oxo
PC16:0/2:0
PC16:0/14:0
PC16:0/18:0
PC16:0/18:1
PC15:0/18:1(d7)
METABOLITES_END
#END