#METABOLOMICS WORKBENCH Ikari_20220213_193846 DATATRACK_ID:3081 STUDY_ID:ST002114 ANALYSIS_ID:AN003461 PROJECT_ID:PR001192
VERSION             	1
CREATED_ON             	March 21, 2022, 9:55 am
#PROJECT
PR:PROJECT_TITLE                 	Mass Spectrometric Data of Cardiolipin in Cells under Mieap Expression
PR:PROJECT_SUMMARY               	Mass spectrometric data of cardiolipin in A549 (Ad-Mieap infected vs.
PR:PROJECT_SUMMARY               	non-infected) and LS174T cells (LS174T-cont vs. Mieap-KD)
PR:INSTITUTE                     	National Cancer Center Japan Research Institute
PR:LAST_NAME                     	Ikari
PR:FIRST_NAME                    	Naoki
PR:ADDRESS                       	5-1-1 Tsukiji, Chuo-ku, Chuo-ku, Tokyo, 104-0045, Japan
PR:EMAIL                         	nikari@ncc.go.jp
PR:PHONE                         	+81-3-3542-2511
#STUDY
ST:STUDY_TITLE                   	Involvement of Mieap in Cardiolipin metabolism (part I-revised)
ST:STUDY_SUMMARY                 	Cardiolipin (CL) alterations cause mitochondrial dysfunction. Mieap is involved
ST:STUDY_SUMMARY                 	in mitochondrial quality control (MQC). To investigate whether Mieap functions
ST:STUDY_SUMMARY                 	in MQC via regulation of CL metabolism, quantitative assessment of total CL and
ST:STUDY_SUMMARY                 	comparison of CL species conducted with A549 (Ad-Mieap infected vs.
ST:STUDY_SUMMARY                 	non-infected) and LS174T cells (LS174T-cont vs. Mieap-KD). The A549 cells were
ST:STUDY_SUMMARY                 	harvested 24 hr after infection with Ad-Mieap and were compared with
ST:STUDY_SUMMARY                 	non-infected cells by mass spectrometric analysis. The LS174T-cont and Mieap-KD
ST:STUDY_SUMMARY                 	cells incubated under a normal condition were harvested and subjected to mass
ST:STUDY_SUMMARY                 	spectrometric analysis.
ST:INSTITUTE                     	National Cancer Center Japan Research Institute
ST:LAST_NAME                     	Ikari
ST:FIRST_NAME                    	Naoki
ST:ADDRESS                       	5-1-1 Tsukiji, Chuo-ku, Tokyo 104-0045, Japan
ST:EMAIL                         	nikari@ncc.go.jp
ST:PHONE                         	+81335422511
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:CELL_BIOSOURCE_OR_SUPPLIER    	American Type Culture Collection
SU:CELL_STRAIN_DETAILS           	A549 (tissue, lung cancer; gender, male), LS174T (tissue, colon cancer; gender,
SU:CELL_STRAIN_DETAILS           	female)
SU:CELL_COUNTS                   	10,000,000
#FACTORS
#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           	-	A549 Ad-Mieap 1	Genotype/Treatment:Ad-Mieap infection	
SUBJECT_SAMPLE_FACTORS           	-	A549 Non-infection 1	Genotype/Treatment:Non-infection	
SUBJECT_SAMPLE_FACTORS           	-	A549 Ad-Mieap 2	Genotype/Treatment:Ad-Mieap infection	
SUBJECT_SAMPLE_FACTORS           	-	A549 Non-infection 2	Genotype/Treatment:Non-infection	
SUBJECT_SAMPLE_FACTORS           	-	A549 Ad-Mieap 3	Genotype/Treatment:Ad-Mieap infection	
SUBJECT_SAMPLE_FACTORS           	-	A549 Non-infection 3	Genotype/Treatment:Non-infection	
SUBJECT_SAMPLE_FACTORS           	-	A549 Ad-Mieap 4	Genotype/Treatment:Ad-Mieap infection	
SUBJECT_SAMPLE_FACTORS           	-	A549 Non-infection 4	Genotype/Treatment:Non-infection	
SUBJECT_SAMPLE_FACTORS           	-	LS174T Control 1	Genotype/Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	-	LS174T Mieap-KD 1	Genotype/Treatment:Mieap-knockdown	
SUBJECT_SAMPLE_FACTORS           	-	LS174T Control 2	Genotype/Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	-	LS174T Mieap-KD 2	Genotype/Treatment:Mieap-knockdown	
SUBJECT_SAMPLE_FACTORS           	-	LS174T Control 3	Genotype/Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	-	LS174T Mieap-KD 3	Genotype/Treatment:Mieap-knockdown	
SUBJECT_SAMPLE_FACTORS           	-	LS174T Control 4	Genotype/Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	-	LS174T Mieap-KD 4	Genotype/Treatment:Mieap-knockdown	
SUBJECT_SAMPLE_FACTORS           	-	LS174T Control 5	Genotype/Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	-	LS174T Mieap-KD 5	Genotype/Treatment:Mieap-knockdown	
SUBJECT_SAMPLE_FACTORS           	-	LS174T Control 6	Genotype/Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	-	LS174T Mieap-KD 6	Genotype/Treatment:Mieap-knockdown	
#COLLECTION
CO:COLLECTION_SUMMARY            	Cells were collected using trypsin-EDTA. The cells were snap-frozen in liquid
CO:COLLECTION_SUMMARY            	nitrogen after cell count, and subsequently stored at -80°C until lipidomic
CO:COLLECTION_SUMMARY            	analysis.
CO:SAMPLE_TYPE                   	Cultured cells
CO:VOLUMEORAMOUNT_COLLECTED      	10,000,000 cells/tube
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Infection of the A549 cell line was carried out by adding viral solution
TR:TREATMENT_SUMMARY             	(Ad-Mieap) to A549 cell monolayers, and incubating at 37°C for 120 min with
TR:TREATMENT_SUMMARY             	brief agitation every 20 min. This was followed by the addition of culture
TR:TREATMENT_SUMMARY             	medium and the return of the infected cells to the 37°C incubator. We
TR:TREATMENT_SUMMARY             	established a Mieap-KD cell line using LS174T. Mieap expression was inhibited in
TR:TREATMENT_SUMMARY             	the cell line by retroviral expression of short-hairpin RNA (shRNA) against the
TR:TREATMENT_SUMMARY             	Mieap sequence. We also established LS174T-cont cells using the retroviral
TR:TREATMENT_SUMMARY             	vector with target sequence for EGFP. The LS174T-cont and Mieap-KD cells were
TR:TREATMENT_SUMMARY             	incubated under normal condition.
TR:TREATMENT_DOSEDURATION        	A549 cells: 24 h; LS174T-cont and Mieap-KD cells: none (incubated under normal
TR:TREATMENT_DOSEDURATION        	condition)
TR:TREATMENT_VEHICLE             	A549 cells: viral solution (Ad-Mieap); LS174T-cont and Mieap-KD cells: none
TR:TREATMENT_VEHICLE             	(incubated under normal condition)
TR:CELL_STORAGE                  	stored at -80°C
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Total lipids were extracted from samples using the Bligh-Dyer method. An aliquot
SP:SAMPLEPREP_SUMMARY            	of the organic phase was added to an equal volume of methanol before being
SP:SAMPLEPREP_SUMMARY            	loaded onto a DEAE-cellulose column (Wako Chemical) pre-equilibrated with
SP:SAMPLEPREP_SUMMARY            	chloroform. After successive washes with chloroform/methanol (1:1, v/v), acidic
SP:SAMPLEPREP_SUMMARY            	phospholipids were eluted with chloroform/methanol/HCl/water (12:12:1:1, v/v),
SP:SAMPLEPREP_SUMMARY            	followed by evaporation to dryness to yield a residue was soluble in methanol.
SP:EXTRACTION_METHOD             	the Bligh-Dyer method
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	UltiMate 3000 (Thermo Fisher Scientific)
CH:COLUMN_NAME                   	X-Bridge C18 column (3.5 μm, 150 mm × 1.0 mm i.d.) (Waters)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	pmol/10,000,000 cells
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol/10E6 cells
MS_METABOLITE_DATA_START
Samples	A549 Ad-Mieap 1	A549 Non-infection 1	A549 Ad-Mieap 2	A549 Non-infection 2	A549 Ad-Mieap 3	A549 Non-infection 3	A549 Ad-Mieap 4	A549 Non-infection 4	LS174T Control 1	LS174T Mieap-KD 1	LS174T Control 2	LS174T Mieap-KD 2	LS174T Control 3	LS174T Mieap-KD 3	LS174T Control 4	LS174T Mieap-KD 4	LS174T Control 5	LS174T Mieap-KD 5	LS174T Control 6	LS174T Mieap-KD 6
Factors	Genotype/Treatment:Ad-Mieap infection	Genotype/Treatment:Non-infection	Genotype/Treatment:Ad-Mieap infection	Genotype/Treatment:Non-infection	Genotype/Treatment:Ad-Mieap infection	Genotype/Treatment:Non-infection	Genotype/Treatment:Ad-Mieap infection	Genotype/Treatment:Non-infection	Genotype/Treatment:Control	Genotype/Treatment:Mieap-knockdown	Genotype/Treatment:Control	Genotype/Treatment:Mieap-knockdown	Genotype/Treatment:Control	Genotype/Treatment:Mieap-knockdown	Genotype/Treatment:Control	Genotype/Treatment:Mieap-knockdown	Genotype/Treatment:Control	Genotype/Treatment:Mieap-knockdown	Genotype/Treatment:Control	Genotype/Treatment:Mieap-knockdown
CL(14:0_16:1_18:1_14:0)	9.81	6.63	9.43	8.86	11.32	7.03	8.86	8.31	7.07	5.64	0.00	0.00	8.31	5.90	7.68	6.45	10.42	7.03	5.55	5.95
CL(15:0_16:1_15:0_16:1)	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	8.42	7.54	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(14:0_16:1_14:0_18:2)	18.04	11.54	0.00	0.00	0.00	0.00	0.00	0.00	43.29	48.82	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(16:1_16:1_16:1_14:0)	0.46	0.15	20.03	17.81	20.12	10.60	18.09	18.03	4.35	4.24	29.51	22.29	46.03	47.07	46.21	59.15	74.23	58.40	48.13	54.65
CL(16:1_14:1_16:1_16:1)	2.01	1.15	0.00	0.00	0.00	0.00	0.00	0.00	10.40	14.81	7.15	7.17	9.95	15.14	10.31	19.57	14.15	15.75	10.20	14.78
CL(16:1_16:1_12:0_18:2)	0.00	0.00	0.00	0.00	2.07	0.98	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(16:0_16:0_16:0_16:0)	21.12	0.01	8.99	0.58	0.00	0.00	0.11	1.64	0.00	0.00	0.00	0.00	0.02	65.64	0.00	0.00	0.00	0.00	0.00	0.00
CL(14:0_16:0_16:0_18:1)	1.31	3.39	1.68	6.40	1.67	3.71	1.51	6.79	0.68	0.40	0.86	0.38	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(16:0_16:1_14:0_18:1)	17.73	14.80	13.70	17.50	20.92	15.47	13.10	18.18	6.39	4.92	5.21	3.74	7.92	5.64	7.78	6.25	9.14	6.16	5.42	5.00
CL(14:0_16:1_18:1_16:1)	99.45	68.56	92.90	74.27	113.68	67.00	87.62	72.66	93.27	79.70	73.33	49.13	107.84	81.50	121.80	102.33	151.02	97.73	79.92	85.37
CL(16:1_16:1_16:1_16:1)	73.98	51.06	89.07	75.37	85.76	46.96	81.06	75.21	207.64	228.20	187.63	125.88	226.89	228.01	263.03	321.83	404.50	300.64	254.03	274.20
CL(18:2_14:1_16:1_16:1)	4.81	2.95	4.66	4.23	5.09	2.72	4.59	4.38	11.67	16.65	8.16	6.61	11.76	16.52	12.21	20.33	17.84	17.41	11.86	16.23
CL(14:2_18:2_16:1_16:1)	0.01	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.21	0.36	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:4_14:0_16:1_16:1)	1.88	0.95	0.00	0.00	0.00	0.00	0.00	0.00	2.04	2.51	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(16:0_16:0_18:0_16:0)	3.72	0.20	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(16:0_16:0_16:0_18:1)	3.17	7.72	2.94	15.33	3.51	7.36	2.56	16.87	0.91	0.43	0.62	0.21	0.00	0.00	0.70	0.00	1.59	0.58	1.59	0.63
CL(14:0_18:1_16:0_18:1)	47.68	44.62	42.32	52.70	59.92	49.96	40.05	56.86	12.17	8.21	11.40	4.30	13.19	7.59	18.28	5.45	27.25	10.48	15.96	9.63
CL(14:0_18:1_16:1_18:1)	160.59	127.72	136.68	129.08	225.56	146.76	130.14	130.89	90.37	68.64	78.79	50.25	123.28	77.65	133.95	90.63	136.79	88.85	76.56	75.03
CL(18:2_14:0_16:1_18:1)	374.87	287.41	459.29	354.15	511.04	308.17	424.75	364.52	506.35	445.20	582.08	366.69	777.19	577.09	996.55	940.67	1232.07	771.48	652.48	658.54
CL(18:2_16:1_16:1_16:1)	117.68	71.51	126.91	81.09	139.97	66.42	115.90	81.05	170.14	182.57	171.92	102.91	180.15	186.18	231.99	268.96	333.01	253.95	196.64	224.20
CL(18:2_14:1_16:1_18:2)	5.19	3.32	11.00	7.95	17.09	10.70	10.02	9.31	2.42	1.94	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:3_16:1_16:1_16:1)	10.52	6.84	0.00	0.00	0.00	0.00	0.00	0.00	17.21	20.95	17.23	11.09	21.10	18.32	25.12	41.64	34.53	26.35	21.23	24.06
CL(18:3_18:2_16:1_14:0)	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	2.59	2.61	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(14:2_18:2_16:1_18:2)	7.16	4.03	0.00	0.00	0.00	0.00	0.00	0.00	8.83	10.42	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:3_16:1_18:2_14:1)	0.51	0.35	3.66	4.45	0.00	0.00	4.39	5.84	1.57	1.40	9.58	9.01	20.87	11.74	22.60	51.41	14.92	11.40	9.25	9.49
CL(17:1_16:1_18:2_16:1)	30.66	18.88	0.00	0.00	0.00	0.00	0.00	0.00	54.66	75.37	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(11:1_22:6_16:1_18:1)	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	1.44	2.23	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:1_16:0_18:0_16:1)	201.00	210.96	0.00	0.00	0.00	0.00	0.00	0.00	36.23	20.49	0.00	0.00	23.00	12.59	37.25	7.24	99.25	29.26	71.46	34.26
CL(18:1_16:0_16:0_18:1)	0.00	0.00	218.03	239.86	232.40	200.57	186.51	259.28	0.00	0.00	26.78	7.51	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:1_16:0_16:1_18:1)	225.16	213.42	193.10	213.30	315.53	245.40	189.05	227.08	90.54	65.26	78.63	32.54	85.49	57.36	109.12	43.03	161.45	88.01	89.08	78.05
CL(18:1_16:1_16:1_18:1)	712.32	577.42	841.53	671.80	1007.85	655.17	802.60	719.34	660.04	518.11	791.67	452.54	975.72	733.40	1433.33	1065.28	1566.71	980.93	844.77	808.73
CL(18:2_16:1_16:1_18:1)	413.32	291.28	470.29	284.33	593.05	315.80	440.10	289.18	331.95	289.47	382.88	216.11	477.05	362.06	670.11	629.38	774.23	495.37	402.70	411.23
CL(18:2_16:1_16:1_18:2)	120.05	71.07	126.09	66.19	158.63	73.48	117.82	66.62	105.41	112.51	110.88	67.01	130.63	122.17	174.60	224.58	224.14	166.58	124.79	139.22
CL(18:3_18:2_16:1_16:1)	16.14	9.83	20.59	12.88	39.31	25.60	19.45	13.72	16.27	19.33	19.66	11.02	28.50	21.04	27.38	45.38	38.33	28.22	22.15	24.35
CL(18:2_14:1_16:1_20:4)	10.03	5.16	0.00	0.00	0.00	0.00	0.00	0.00	6.81	7.46	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_14:0_16:1_18:2)	0.37	0.42	0.00	0.00	9.25	6.13	0.00	0.00	0.37	0.28	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_16:1_16:1_16:1)	1.48	1.06	5.76	5.13	0.00	0.00	6.99	6.28	2.00	2.59	0.00	0.00	0.00	0.00	17.40	39.54	8.40	7.44	4.80	4.89
CL(18:4_18:2_16:1_16:1)	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	8.96	7.23	12.43	7.42	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_16:1_14:1_18:2)	0.53	0.28	0.00	0.00	0.00	0.00	0.00	0.00	0.41	0.77	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:0_18:1_18:1_16:0)	16.64	13.61	0.00	0.00	0.00	0.00	0.00	0.00	18.15	20.16	0.00	0.00	0.00	0.00	19.69	11.69	32.86	27.13	19.05	28.11
CL(17:1_18:2_16:1_18:1)	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	97.08	79.85	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:1_16:1_16:1_20:4)	4.69	2.82	4.84	2.56	6.18	2.98	4.65	2.83	5.45	8.57	4.03	6.42	8.51	9.68	8.70	22.27	11.00	12.87	6.05	10.67
CL(20:4_16:1_15:1_18:2)	1.62	0.96	0.00	0.00	2.05	1.39	0.00	0.00	1.46	2.04	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_16:1_18:2_15:0)	0.61	0.39	0.00	0.00	0.00	0.00	0.00	0.00	0.66	1.24	2.55	3.19	0.00	0.00	9.96	22.95	4.11	4.40	1.90	3.26
CL(13:0_22:6_16:1_18:2)	0.00	0.10	0.00	0.00	0.00	0.00	0.00	0.00	0.05	0.02	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:3_16:1_22:6_14:0)	0.39	0.21	0.00	0.00	0.00	0.00	0.00	0.00	0.09	0.11	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:1_16:0_18:0_18:1)	46.62	33.54	43.95	54.40	43.34	23.33	29.99	58.42	3.78	1.86	2.00	0.61	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:1_16:0_18:1_18:1)	202.23	153.10	171.45	151.29	253.14	153.20	141.03	159.54	43.82	29.60	132.33	60.19	28.28	17.50	29.66	9.82	77.97	33.01	51.43	39.69
CL(18:1_16:1_18:1_18:1)	718.85	547.87	894.13	649.26	1073.99	642.45	849.01	673.44	387.14	269.68	352.00	149.20	414.00	251.30	541.38	209.96	783.46	395.19	433.55	369.83
CL(18:2_18:1_16:1_18:1)	629.93	471.63	543.58	359.98	951.23	547.21	534.72	359.54	355.41	276.20	432.08	213.47	414.20	292.49	619.54	395.10	623.42	400.82	345.97	357.25
CL(18:2_16:1_18:1_18:2)	291.42	196.22	308.33	160.31	457.51	223.81	291.58	165.90	155.99	145.97	180.75	102.86	217.51	185.06	302.91	323.02	334.31	244.96	178.17	197.63
CL(18:2_16:1_16:1_20:3)	91.25	57.27	93.92	46.78	126.29	58.74	88.99	49.86	49.17	53.09	0.00	0.00	69.31	60.26	88.51	126.37	108.01	80.56	55.63	66.43
CL(18:3_18:2_16:1_18:1)	14.57	11.76	0.00	0.00	18.72	16.79	0.00	0.00	10.06	8.49	22.57	22.44	34.44	12.78	55.56	124.45	12.03	12.48	5.57	7.14
CL(18:2_16:1_16:1_20:4)	21.27	13.38	23.85	12.93	29.36	13.99	22.86	14.47	12.38	14.74	14.35	8.76	0.00	0.00	30.30	84.07	9.01	7.56	4.18	4.58
CL(18:3_18:2_16:1_18:2)	14.33	10.81	5.37	4.61	18.13	13.65	7.24	5.13	6.92	5.98	0.00	0.00	0.00	0.00	20.93	37.74	26.08	21.83	14.71	18.19
CL(18:4_18:1_16:1_18:2)	0.54	0.73	0.00	0.00	0.00	0.00	0.00	0.00	0.47	0.37	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_16:1_18:2_16:1)	7.81	3.90	4.96	2.76	12.68	7.91	3.98	3.30	3.28	3.57	7.21	5.55	6.15	3.54	0.00	0.00	0.00	0.00	0.00	0.00
CL(19:0_18:1_16:1_18:0)	0.89	5.22	0.00	0.00	0.00	0.00	0.00	0.00	2.01	0.81	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:0_18:0_18:1_18:1)	0.00	0.00	0.00	0.00	16.07	1.89	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:1_18:1_20:0_16:1)	0.00	0.00	43.64	26.45	0.00	0.00	36.73	26.97	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:0_18:1_18:1_18:1)	0.00	0.00	0.00	0.00	32.76	15.07	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:1_18:1_18:1_18:1)	0.00	0.00	34.29	19.11	0.00	0.00	28.99	19.94	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:1_18:1_18:2_18:1)	10.47	6.21	84.02	47.14	0.00	0.00	80.45	48.02	9.24	12.25	63.08	38.85	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:1_18:2_16:1_20:3)	12.99	8.49	12.81	5.72	19.11	9.10	12.38	5.95	10.83	16.16	6.59	9.78	14.86	19.32	19.78	41.30	21.24	25.81	11.01	20.15
CL(17:1_16:1_18:2_20:4)	3.45	2.39	4.42	2.41	4.95	2.40	5.38	2.73	2.42	4.01	3.42	4.47	3.55	4.63	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:1_16:1_16:1_22:6)	0.84	0.51	0.00	0.00	0.00	0.00	0.00	0.00	0.74	1.49	0.00	0.00	0.00	0.00	0.30	12.45	1.50	2.91	0.94	2.31
CL(22:6_15:1_16:1_18:1)	0.01	0.14	0.00	0.00	0.00	0.00	0.00	0.00	0.06	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_18:2_16:1_18:2)	3.12	2.06	0.00	0.00	0.00	0.00	0.00	0.00	1.55	2.18	0.00	0.00	4.77	3.69	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_16:1_16:1_22:6)	0.00	0.00	5.33	2.88	3.84	1.80	6.20	3.21	0.00	0.00	2.63	1.51	0.00	0.00	4.31	16.55	4.38	4.21	2.37	3.31
CL(18:4_18:2_16:1_20:4)	1.25	0.66	0.00	0.00	0.00	0.00	0.00	0.00	0.58	0.56	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:4_22:6_16:1_16:1)	1.88	0.98	0.00	0.00	2.82	2.17	0.00	0.00	1.00	0.82	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(14:2_16:1_20:4_22:6)	0.00	0.00	0.00	0.00	1.22	0.74	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:1_18:1_18:1_18:1)	413.32	240.34	330.87	200.27	534.87	236.04	253.71	204.72	84.24	48.41	50.79	14.93	53.46	28.85	60.50	14.97	164.82	61.38	105.26	72.21
CL(18:2_18:1_18:1_18:1)	444.56	291.11	358.74	197.03	641.82	316.50	339.29	196.85	133.28	92.42	112.00	36.97	116.43	74.85	155.94	52.48	274.99	136.88	156.48	123.94
CL(18:2_18:1_18:2_18:0)	20.28	9.54	0.00	0.00	0.00	0.00	0.00	0.00	3.44	2.57	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_18:1_16:0_20:3)	24.20	14.49	0.00	0.00	0.00	0.00	0.00	0.00	7.19	6.71	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_18:1_18:1_18:2)	316.51	222.22	325.27	174.38	469.62	244.33	306.62	177.90	115.40	100.65	125.71	57.90	125.93	101.11	168.05	111.19	200.56	138.15	117.63	125.03
CL(20:2_16:1_18:1_18:2)	33.02	20.69	0.00	0.00	0.00	0.00	0.00	0.00	11.23	10.42	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_18:1_16:1_20:3)	17.82	13.79	131.42	64.32	216.26	103.00	125.62	68.72	11.51	9.83	57.83	30.95	64.62	62.20	94.44	108.76	96.82	81.53	51.48	65.47
CL(18:2_18:1_16:1_20:4)	12.10	10.02	55.46	27.89	104.50	56.78	52.43	29.51	6.90	5.72	20.07	11.79	28.79	27.45	36.67	57.06	39.33	34.91	20.78	28.15
CL(18:1_16:1_16:1_22:6)	18.42	14.04	0.00	0.00	0.00	0.00	0.00	0.00	7.57	9.07	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_18:2_16:1_18:1)	8.62	6.07	24.02	13.99	38.90	22.58	23.74	14.70	3.06	2.78	4.58	4.05	11.61	10.83	13.47	34.07	3.46	2.99	1.39	1.55
CL(17:1_18:0_18:1_20:1)	0.00	0.00	0.00	0.00	12.89	1.81	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(19:1_18:1_18:1_18:1)	6.45	4.44	0.00	0.00	0.00	0.00	0.00	0.00	4.29	4.10	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(19:1_18:1_18:0_18:2)	0.00	0.00	15.49	9.15	0.00	0.00	11.46	9.36	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(19:1_18:1_18:2_18:1)	0.00	0.00	0.00	0.00	7.38	4.04	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:1_18:1_20:3_18:2)	3.40	2.50	11.78	5.40	20.95	11.70	11.35	5.54	3.45	3.91	3.75	3.15	8.41	10.78	11.37	16.42	12.81	15.74	6.70	13.16
CL(17:1_18:1_18:2_20:4)	1.64	1.45	5.16	2.46	0.00	0.00	4.89	2.61	1.80	2.19	2.87	3.35	0.00	0.00	4.57	10.82	5.46	7.79	2.93	6.25
CL(22:6_15:0_18:1_18:1)	0.00	0.00	0.00	0.00	2.92	2.18	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:1_18:1_16:1_22:6)	2.31	1.82	2.55	1.35	3.61	1.72	2.35	1.37	1.35	2.31	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_18:1_16:1_22:6)	12.12	9.56	12.44	6.55	17.69	10.21	12.09	6.74	3.14	3.74	3.94	2.47	5.16	4.69	2.42	16.58	5.87	5.52	2.99	4.09
CL(18:2_18:2_16:1_22:6)	2.09	1.40	2.91	1.10	2.95	1.45	2.89	1.22	0.54	0.82	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:4_20:4_18:2_18:1)	0.00	0.00	0.00	0.00	0.68	0.97	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:4_22:6_16:1_18:1)	1.73	1.04	0.00	0.00	3.05	2.59	0.00	0.00	1.02	0.78	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_18:2_20:4_16:1)	1.28	0.77	0.00	0.00	0.00	0.00	0.00	0.00	0.45	0.35	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:4_22:6_16:1_18:2)	1.83	0.92	0.00	0.00	2.20	1.54	0.00	0.00	0.65	0.50	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:1_18:1_20:1_18:1)	14.85	6.32	0.00	0.00	0.00	0.00	0.00	0.00	1.69	0.84	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:1_18:0_18:0_20:3)	0.00	0.00	0.00	0.00	21.36	7.61	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:2_18:1_18:2_18:0)	0.00	0.00	25.07	15.43	0.00	0.00	20.31	15.80	0.00	0.00	5.89	1.63	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:2_18:1_18:1_18:1)	37.04	19.76	0.00	0.00	0.00	0.00	0.00	0.00	7.82	5.03	4.19	1.04	4.57	2.91	4.97	0.00	15.41	5.75	10.61	6.48
CL(18:1_18:1_20:3_18:1)	97.05	65.19	71.45	40.07	133.63	62.85	65.72	41.13	23.80	19.48	15.63	4.63	16.01	12.46	20.28	7.15	46.10	23.03	27.23	24.58
CL(18:1_20:3_18:2_18:0)	22.67	16.61	0.00	0.00	0.00	0.00	0.00	0.00	6.79	6.48	0.00	0.00	7.09	7.54	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:1_20:3_18:1_18:2)	19.47	11.60	81.97	38.54	151.34	76.87	78.09	39.24	5.65	4.40	5.78	2.38	24.30	20.23	33.45	21.81	45.77	32.91	24.17	28.86
CL(18:2_18:1_20:3_18:2)	10.83	7.64	0.00	0.00	86.09	46.14	0.00	0.00	5.24	4.36	6.90	3.59	14.44	13.88	21.70	23.31	22.97	20.70	12.27	16.93
CL(18:2_18:1_18:2_20:4)	6.34	4.87	0.00	0.00	8.90	6.74	0.00	0.00	2.64	2.59	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_18:1_16:1_22:5)	0.00	0.00	29.11	16.00	42.15	22.12	29.08	17.03	0.00	0.00	4.51	3.74	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_20:3_20:3_16:1)	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	6.63	3.67	0.00	0.00	9.70	15.67	12.71	11.77	6.65	9.26
CL(19:0_20:4_18:0_18:1)	0.00	0.00	0.00	0.00	7.26	1.16	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:1_18:1_20:3_20:3)	0.59	0.18	0.00	0.00	3.68	1.79	0.00	0.00	0.59	0.73	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:1_18:1_18:1_22:6)	1.50	1.15	0.00	0.00	2.27	1.01	0.00	0.00	0.56	1.12	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(17:1_20:4_18:1_20:3)	0.18	0.07	0.00	0.00	0.00	0.00	0.00	0.00	0.30	0.54	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_20:3_18:1_20:4)	5.04	4.02	0.00	0.00	0.00	0.00	0.00	0.00	0.61	0.74	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_18:1_22:6_18:1)	0.00	0.00	8.07	4.05	10.45	6.03	7.80	4.14	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:4_20:4_18:1_18:1)	0.00	0.00	0.00	0.00	0.90	0.54	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_18:1_18:2_22:6)	3.81	2.98	3.67	1.81	5.08	2.87	3.53	1.89	0.43	0.66	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(22:6_20:4_16:0_18:1)	0.78	0.42	0.00	0.00	1.38	1.18	0.00	0.00	0.16	0.15	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:1_16:1_20:4_22:6)	1.81	1.01	0.00	0.00	3.59	3.09	0.00	0.00	0.90	0.72	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_22:6_16:1_20:3)	0.44	0.31	0.00	0.00	0.00	0.00	0.00	0.00	0.02	0.02	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_22:5_16:1_18:1)	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.99	0.61	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:4_22:6_18:1_18:2)	1.42	0.76	0.00	0.00	0.00	0.00	0.00	0.00	0.57	0.41	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_22:6_18:1_16:1)	0.00	0.00	0.00	0.00	2.71	2.26	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_18:2_22:6_16:1)	1.09	0.51	0.00	0.00	1.73	1.17	0.00	0.00	0.27	0.22	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_20:3_18:1_20:1)	1.70	0.73	0.00	0.00	7.72	3.32	0.00	0.00	0.20	0.13	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:2_18:1_20:3_18:1)	6.21	3.78	7.38	3.86	0.00	0.00	6.81	4.04	1.60	1.51	0.88	0.20	0.00	0.00	1.54	0.02	2.97	1.47	1.91	1.75
CL(20:2_18:2_18:1_20:3)	9.16	6.37	0.00	0.00	3.38	1.61	0.00	0.00	2.12	2.51	0.00	0.00	2.76	2.93	2.73	0.66	5.14	3.91	2.83	3.56
CL(18:1_20:3_18:1_20:3)	0.00	0.00	11.22	5.38	15.71	7.97	10.48	5.28	0.00	0.00	2.28	0.82	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:2_18:1_20:3_20:3)	10.49	8.32	12.94	6.77	21.42	11.73	12.48	6.77	2.00	2.36	0.00	0.00	0.00	0.00	2.19	2.00	3.99	3.51	2.11	2.98
CL(18:1_18:1_18:1_22:6)	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	2.00	0.95	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(18:1_16:1_22:5_22:5)	1.93	0.69	0.00	0.00	0.00	0.00	0.00	0.00	0.30	0.24	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(22:6_20:4_18:1_18:1)	0.00	0.00	0.00	0.00	3.36	1.90	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_22:6_18:1_18:1)	1.21	0.58	0.00	0.00	0.00	0.00	0.00	0.00	0.37	0.30	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
CL(20:5_22:6_18:2_18:1)	0.00	0.00	0.00	0.00	1.24	0.92	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
CL(14:0_16:1_18:1_14:0)
CL(15:0_16:1_15:0_16:1)
CL(14:0_16:1_14:0_18:2)
CL(16:1_16:1_16:1_14:0)
CL(16:1_14:1_16:1_16:1)
CL(16:1_16:1_12:0_18:2)
CL(16:0_16:0_16:0_16:0)
CL(14:0_16:0_16:0_18:1)
CL(16:0_16:1_14:0_18:1)
CL(14:0_16:1_18:1_16:1)
CL(16:1_16:1_16:1_16:1)
CL(18:2_14:1_16:1_16:1)
CL(14:2_18:2_16:1_16:1)
CL(18:4_14:0_16:1_16:1)
CL(16:0_16:0_18:0_16:0)
CL(16:0_16:0_16:0_18:1)
CL(14:0_18:1_16:0_18:1)
CL(14:0_18:1_16:1_18:1)
CL(18:2_14:0_16:1_18:1)
CL(18:2_16:1_16:1_16:1)
CL(18:2_14:1_16:1_18:2)
CL(18:3_16:1_16:1_16:1)
CL(18:3_18:2_16:1_14:0)
CL(14:2_18:2_16:1_18:2)
CL(18:3_16:1_18:2_14:1)
CL(17:1_16:1_18:2_16:1)
CL(11:1_22:6_16:1_18:1)
CL(18:1_16:0_18:0_16:1)
CL(18:1_16:0_16:0_18:1)
CL(18:1_16:0_16:1_18:1)
CL(18:1_16:1_16:1_18:1)
CL(18:2_16:1_16:1_18:1)
CL(18:2_16:1_16:1_18:2)
CL(18:3_18:2_16:1_16:1)
CL(18:2_14:1_16:1_20:4)
CL(20:5_14:0_16:1_18:2)
CL(20:5_16:1_16:1_16:1)
CL(18:4_18:2_16:1_16:1)
CL(20:5_16:1_14:1_18:2)
CL(17:0_18:1_18:1_16:0)
CL(17:1_18:2_16:1_18:1)
CL(17:1_16:1_16:1_20:4)
CL(20:4_16:1_15:1_18:2)
CL(20:5_16:1_18:2_15:0)
CL(13:0_22:6_16:1_18:2)
CL(18:3_16:1_22:6_14:0)
CL(18:1_16:0_18:0_18:1)
CL(18:1_16:0_18:1_18:1)
CL(18:1_16:1_18:1_18:1)
CL(18:2_18:1_16:1_18:1)
CL(18:2_16:1_18:1_18:2)
CL(18:2_16:1_16:1_20:3)
CL(18:3_18:2_16:1_18:1)
CL(18:2_16:1_16:1_20:4)
CL(18:3_18:2_16:1_18:2)
CL(18:4_18:1_16:1_18:2)
CL(20:5_16:1_18:2_16:1)
CL(19:0_18:1_16:1_18:0)
CL(17:0_18:0_18:1_18:1)
CL(17:1_18:1_20:0_16:1)
CL(17:0_18:1_18:1_18:1)
CL(17:1_18:1_18:1_18:1)
CL(17:1_18:1_18:2_18:1)
CL(17:1_18:2_16:1_20:3)
CL(17:1_16:1_18:2_20:4)
CL(17:1_16:1_16:1_22:6)
CL(22:6_15:1_16:1_18:1)
CL(20:5_18:2_16:1_18:2)
CL(18:2_16:1_16:1_22:6)
CL(18:4_18:2_16:1_20:4)
CL(18:4_22:6_16:1_16:1)
CL(14:2_16:1_20:4_22:6)
CL(18:1_18:1_18:1_18:1)
CL(18:2_18:1_18:1_18:1)
CL(18:2_18:1_18:2_18:0)
CL(18:2_18:1_16:0_20:3)
CL(18:2_18:1_18:1_18:2)
CL(20:2_16:1_18:1_18:2)
CL(18:2_18:1_16:1_20:3)
CL(18:2_18:1_16:1_20:4)
CL(18:1_16:1_16:1_22:6)
CL(20:5_18:2_16:1_18:1)
CL(17:1_18:0_18:1_20:1)
CL(19:1_18:1_18:1_18:1)
CL(19:1_18:1_18:0_18:2)
CL(19:1_18:1_18:2_18:1)
CL(17:1_18:1_20:3_18:2)
CL(17:1_18:1_18:2_20:4)
CL(22:6_15:0_18:1_18:1)
CL(17:1_18:1_16:1_22:6)
CL(18:2_18:1_16:1_22:6)
CL(18:2_18:2_16:1_22:6)
CL(18:4_20:4_18:2_18:1)
CL(18:4_22:6_16:1_18:1)
CL(20:5_18:2_20:4_16:1)
CL(18:4_22:6_16:1_18:2)
CL(18:1_18:1_20:1_18:1)
CL(18:1_18:0_18:0_20:3)
CL(20:2_18:1_18:2_18:0)
CL(20:2_18:1_18:1_18:1)
CL(18:1_18:1_20:3_18:1)
CL(18:1_20:3_18:2_18:0)
CL(18:1_20:3_18:1_18:2)
CL(18:2_18:1_20:3_18:2)
CL(18:2_18:1_18:2_20:4)
CL(18:2_18:1_16:1_22:5)
CL(18:2_20:3_20:3_16:1)
CL(19:0_20:4_18:0_18:1)
CL(17:1_18:1_20:3_20:3)
CL(17:1_18:1_18:1_22:6)
CL(17:1_20:4_18:1_20:3)
CL(18:2_20:3_18:1_20:4)
CL(18:2_18:1_22:6_18:1)
CL(20:4_20:4_18:1_18:1)
CL(18:2_18:1_18:2_22:6)
CL(22:6_20:4_16:0_18:1)
CL(18:1_16:1_20:4_22:6)
CL(18:2_22:6_16:1_20:3)
CL(20:5_22:5_16:1_18:1)
CL(18:4_22:6_18:1_18:2)
CL(20:5_22:6_18:1_16:1)
CL(20:5_18:2_22:6_16:1)
CL(18:2_20:3_18:1_20:1)
CL(20:2_18:1_20:3_18:1)
CL(20:2_18:2_18:1_20:3)
CL(18:1_20:3_18:1_20:3)
CL(18:2_18:1_20:3_20:3)
CL(18:1_18:1_18:1_22:6)
CL(18:1_16:1_22:5_22:5)
CL(22:6_20:4_18:1_18:1)
CL(20:5_22:6_18:1_18:1)
CL(20:5_22:6_18:2_18:1)
METABOLITES_END
#END