#METABOLOMICS WORKBENCH ymatsu1205_20210613_000317 DATATRACK_ID:2687 STUDY_ID:ST001829 ANALYSIS_ID:AN002969 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                      	NEGATIVE
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 = negative, 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:-
PC16:0_8:0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	371459	372665	314298	6139965	5670628	6192505	8961782	8618330	9161304	4450445	4214057	4159888	26884990	26604387	25485786	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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_8:1;O	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1229875	1195615	1202268	470208	381942	472674	113250739	109537964	110277383	134293764	131478520	123761068	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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_8:0;O	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1904930	144116	161878	0	0	0	20820110	21146737	20363707	147468729	136777243	134821482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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_9:1;O	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5802620	4569140	3618232	140951696	138558397	140270556	8570429	8348652	8149094	357785430	363273873	369312037	737214768	738637056	726296985	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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_8:0;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	204703	223778	210452	471808	441873	456526	20504006	19906660	20668483	68909724	44532007	40363815	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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_8:0;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	2726341	2780033	2950010	207370	247694	257940	2273120	2543910	2253549	137393203	133633007	129507584	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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_10:2;O	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1397649	1348798	1384975	969499	968766	913037	45789849	45847125	46077558	18033265	17942664	16771673	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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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PC16:0_18:2;O2;oxo	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45001921	43765765	44402980	23413148	22749509	22878194	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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_18:2;OOH;oxo	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2023372	1788175	2085083	962115	1036189	934507	41642817	41787622	41772064	46338513	48186373	45829580	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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_18:2;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	87615010	87226664	87969394	79959340	77821738	77174601	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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_18:2;O;OOH	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17229093	16864764	18524926	7378463	7338881	7275300	5576392	6055936	6994660	130421768	129518298	128098353	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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_18:2;O2;OOH	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16432439	15680660	16858201	6597855	6802549	6482167	2023995	1943022	2051332	52027455	52034703	49091927	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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
PC16:0_8:0
PC16:0_8:1;O
PC16:0_8:0;O
PC16:0_9:1;O
PC16:0_8:0;COOH
PC16:0_8:0;O2
PC16:0_10:2;O
PC16:0_9:0;COOH
PC16:0_11:2;O
PC16:0_10:1;COOH
PC16:0_12:2;O
PC16:0_11:2;O2
PC16:0_10:1;O;COOH
PC16:0_11:1;O2
PC16:0_10:1;O3
PC16:0_10:0;O;OOH
PC16:0_12:3;O2
PC16:0_11:2;O;COOH
PC16:0_12:1;COOH
PC16:0_12:2;O2
PC16:0_11:1;O;COOH
PC16:0_13:3;O2
PC16:0_12:2;O;COOH
PC16:0_12:1;O;COOH
PC16:0_12:2;O3
PC16:0_13:2;O;COOH
PC16:0_12:1;O2;COOH
PC16:0_12:2;O4
PC16:0_18:2;oxo
PC16:0_18:2;O
PC16:0_18:2;O;oxo
PC16:0_18:2;O2
PC16:0_18:2;OOH
PC16:0_18:2;O2;oxo
PC16:0_18:2;OOH;oxo
PC16:0_18:2;O3
PC16:0_18:2;O;OOH
PC16:0_18:2;O2;OOH
METABOLITES_END
#END