#METABOLOMICS WORKBENCH Ikari_20210730_063614 DATATRACK_ID:2779 STUDY_ID:ST001893 ANALYSIS_ID:AN003074 PROJECT_ID:PR001192
VERSION             	1
CREATED_ON             	August 2, 2021, 5:48 pm
#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, 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)
ST:STUDY_SUMMARY                 	Quantitative assessment of total cardiolipin (CL) and comparison of CL species
ST:STUDY_SUMMARY                 	conducted with A549 (Ad-Mieap infected vs. non-infected) and LS174T cells
ST:STUDY_SUMMARY                 	(LS174T-cont vs. Mieap-KD). The A549 cells were harvested 24 hr after infection
ST:STUDY_SUMMARY                 	with Ad-Mieap and were compared with non-infected cells by mass spectrometric
ST:STUDY_SUMMARY                 	analysis. The LS174T-cont and Mieap-KD cells incubated under a normal condition
ST:STUDY_SUMMARY                 	were harvested and subjected to mass 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                         	+81-3-3542-2511
#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, LS174T
SU:CELL_COUNTS                   	10 million
#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           	-	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	
#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 million 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_SUMMARY        	An aliquot of the organic phase was added to an equal volume of methanol before
CH:CHROMATOGRAPHY_SUMMARY        	being loaded onto a DEAE-cellulose column (Wako Chemical) pre-equilibrated with
CH:CHROMATOGRAPHY_SUMMARY        	chloroform. After successive washes with chloroform/methanol (1:1, v/v), acidic
CH:CHROMATOGRAPHY_SUMMARY        	phospholipids were eluted with chloroform/methanol/HCl/water (12:12:1:1, v/v),
CH:CHROMATOGRAPHY_SUMMARY        	followed by evaporation to dryness to yield a residue was soluble in methanol.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	UltiMate 3000 (Thermo Fisher Scientific)
CH:COLUMN_NAME                   	Waters XBridge C18 (150 x 1.0mm, 3.5um)
#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                   	Analyses were performed on a LC/MS/MS system consisting of a Q-Exactive Plus
MS:MS_COMMENTS                   	mass spectrometer (Thermo Fisher Scientific) equipped with an electrospray
MS:MS_COMMENTS                   	ionization source and an UltiMate 3000 system (Thermo Fisher Scientific). Lipid
MS:MS_COMMENTS                   	samples were separated on a Waters X-Bridge C18 (150 × 1.0 mm, 3.5μm) at 40°C
MS:MS_COMMENTS                   	using a solvent step-gradient as follows: mobile phase A
MS:MS_COMMENTS                   	(isopropanol/methanol/water (5:1:4, v/v/v) supplemented with 5 mM ammonium
MS:MS_COMMENTS                   	formate and 0.05% ammonium hydroxide (28% in water))/mobile phase B (isopropanol
MS:MS_COMMENTS                   	supplemented with 5 mM ammonium formate and 0.05% ammonium hydroxide (28% in
MS:MS_COMMENTS                   	water)) ratios of 60%/40% (0 min), 40%/60% (1 min), 20%/80% (9 min), 5%/95%
MS:MS_COMMENTS                   	(11-30 min), 95%/5% (31-35 min) and 60%/40% (45 min). Flow rate was 25 μL/min.
MS:MS_COMMENTS                   	Source and ion transfer parameters applied were as follows. Spray voltage was
MS:MS_COMMENTS                   	3.0 kV. For negative ionization modes, the sheath gas and capillary temperatures
MS:MS_COMMENTS                   	were maintained at 60 and 320 °C, respectively.The Orbitrap mass analyzer was
MS:MS_COMMENTS                   	operated at a resolving power of 70,000 in full-scan mode (scan range:
MS:MS_COMMENTS                   	200–1800 m/z; automatic gain control (AGC) target:3e6) and of 35,000 in the
MS:MS_COMMENTS                   	Top 20 data-dependent MS2 mode (stepped normalized collision energy: 20, 30 and
MS:MS_COMMENTS                   	40; isolation window: 4.0 m/z; AGC target: 1e5).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol/10,000,000 cells
MS_METABOLITE_DATA_START
Samples	A549 Ad-Mieap 1	A549 Non-infection 1	A549 Ad-Mieap 2	A549 Non-infection 2	LS174T Control 1	LS174T Mieap-KD 1	LS174T Control 2	LS174T Mieap-KD 2
Factors	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
CL(14:0_16:1_18:1_14:0)	9.81	6.63	9.4	8.9	7.07	5.64	0	0
CL(15:0_16:1_15:0_16:1)	0.00	0.00	0.0	0.0	0.00	0.00	8.42	7.54
CL(14:0_16:1_14:0_18:2)	18.04	11.54	0.0	0.0	43.29	48.82	0.00	0.00
CL(16:1_16:1_16:1_14:0)	0.46	0.15	20.0	17.8	4.35	4.24	29.51	22.29
CL(16:1_14:1_16:1_16:1)	2.01	1.15	0.0	0.0	10.40	14.81	7.15	7.17
CL(16:0_16:0_16:0_16:0)	21.12	0.01	9.0	0.6	0.00	0.00	0.00	0.00
CL(14:0_16:0_16:0_18:1)	1.31	3.39	1.7	6.4	0.68	0.40	0.86	0.38
CL(16:0_16:1_14:0_18:1)	17.73	14.80	13.7	17.5	6.39	4.92	5.21	3.74
CL(14:0_16:1_18:1_16:1)	99.45	68.56	92.9	74.3	93.27	79.70	73.33	49.13
CL(16:1_16:1_16:1_16:1)	73.98	51.06	89.1	75.4	207.64	228.20	187.63	125.88
CL(18:2_14:1_16:1_16:1)	4.81	2.95	4.7	4.2	11.67	16.65	8.16	6.61
CL(14:2_18:2_16:1_16:1)	0.01	0.00	0.0	0.0	0.21	0.36	0.00	0.00
CL(18:4_14:0_16:1_16:1)	1.88	0.95	0.0	0.0	2.04	2.51	0.00	0.00
CL(16:0_16:0_18:0_16:0)	3.72	0.20	0.0	0.0	0.00	0.00	0.00	0.00
CL(16:0_16:0_16:0_18:1)	3.17	7.72	2.9	15.3	0.91	0.43	0.62	0.21
CL(14:0_18:1_16:0_18:1)	47.68	44.62	42.3	52.7	12.17	8.21	11.40	4.30
CL(14:0_18:1_16:1_18:1)	160.59	127.72	136.7	129.1	90.37	68.64	78.79	50.25
CL(18:2_14:0_16:1_18:1)	374.87	287.41	459.3	354.2	506.35	445.20	582.08	366.69
CL(18:2_16:1_16:1_16:1)	117.68	71.51	126.9	81.1	170.14	182.57	171.92	102.91
CL(18:2_14:1_16:1_18:2)	5.19	3.32	11.0	8.0	2.42	1.94	0.00	0.00
CL(18:3_16:1_16:1_16:1)	10.52	6.84	0.0	0.0	17.21	20.95	17.23	11.09
CL(18:3_18:2_16:1_14:0)	0.00	0.00	0.0	0.0	0.00	0.00	2.59	2.61
CL(14:2_18:2_16:1_18:2)	7.16	4.03	0.0	0.0	8.83	10.42	0.00	0.00
CL(18:3_16:1_18:2_14:1)	0.51	0.35	3.7	4.4	1.57	1.40	9.58	9.01
CL(17:1_16:1_18:2_16:1)	30.66	18.88	0.0	0.0	54.66	75.37	0.00	0.00
CL(11:1_22:6_16:1_18:1)	0.00	0.00	0.0	0.0	0.00	0.00	1.44	2.23
CL(18:1_16:0_18:0_16:1)	201.00	210.96	0.0	0.0	36.23	20.49	0.00	0.00
CL(18:1_16:0_16:0_18:1)	0.0	0.0	218.0	239.9	0.00	0.00	26.78	7.51
CL(18:1_16:0_16:1_18:1)	225.16	213.42	193.1	213.3	90.54	65.26	78.63	32.54
CL(18:1_16:1_16:1_18:1)	712.32	577.42	841.5	671.8	660.04	518.11	791.67	452.54
CL(18:2_16:1_16:1_18:1)	413.32	291.28	470.3	284.3	331.95	289.47	382.88	216.11
CL(18:2_16:1_16:1_18:2)	120.05	71.07	126.1	66.2	105.41	112.51	110.88	67.01
CL(18:3_18:2_16:1_16:1)	16.14	9.83	20.6	12.9	16.27	19.33	19.66	11.02
CL(18:2_14:1_16:1_20:4)	10.03	5.16	0.0	0.0	6.81	7.46	0.00	0.00
CL(20:5_14:0_16:1_18:2)	0.37	0.42	0.0	0.0	0.37	0.28	0.00	0.00
CL(20:5_16:1_16:1_16:1)	1.48	1.06	5.8	5.1	2.00	2.59	0.00	0.00
CL(18:4_18:2_16:1_16:1)	0.00	0.00	0.0	0.0	0.00	0.00	8.96	7.23
CL(20:5_16:1_14:1_18:2)	0.53	0.28	0.0	0.0	0.41	0.77	0.00	0.00
CL(17:0_18:1_18:1_16:0)	16.64	13.61	0.0	0.0	18.15	20.16	0.00	0.00
CL(17:1_18:2_16:1_18:1)	0.00	0.00	0.0	0.0	0.00	0.00	97.08	79.85
CL(17:1_16:1_16:1_20:4)	4.69	2.82	4.8	2.6	5.45	8.57	4.03	6.42
CL(20:4_16:1_15:1_18:2)	1.62	0.96	0.0	0.0	1.46	2.04	0.00	0.00
CL(20:5_16:1_18:2_15:0)	0.61	0.39	0.0	0.0	0.66	1.24	2.55	3.19
CL(13:0_22:6_16:1_18:2)	0.00	0.10	0.0	0.0	0.05	0.02	0.00	0.00
CL(18:3_16:1_22:6_14:0)	0.39	0.21	0.0	0.0	0.09	0.11	0.00	0.00
CL(18:1_16:0_18:0_18:1)	46.62	33.54	44.0	54.4	3.78	1.86	2.00	0.61
CL(18:1_16:0_18:1_18:1)	202.23	153.10	171.4	151.3	43.82	29.60	132.33	60.19
CL(18:1_16:1_18:1_18:1)	718.85	547.87	894.1	649.3	387.14	269.68	352.00	149.20
CL(18:2_18:1_16:1_18:1)	629.93	471.63	543.6	360.0	355.41	276.20	432.08	213.47
CL(18:2_16:1_18:1_18:2)	291.42	196.22	308.3	160.3	155.99	145.97	180.75	102.86
CL(18:2_16:1_16:1_20:3)	91.25	57.27	93.9	46.8	49.17	53.09	0.00	0.00
CL(18:3_18:2_16:1_18:1)	14.57	11.76	0.0	0.0	10.06	8.49	22.57	22.44
CL(18:2_16:1_16:1_20:4)	21.27	13.38	23.8	12.9	12.38	14.74	14.35	8.76
CL(18:3_18:2_16:1_18:2)	14.33	10.81	5.4	4.6	6.92	5.98	0.00	0.00
CL(18:4_18:1_16:1_18:2)	0.54	0.73	0.0	0.0	0.47	0.37	0.00	0.00
CL(20:5_16:1_18:2_16:1)	7.81	3.90	5.0	2.8	3.28	3.57	7.21	5.55
CL(19:0_18:1_16:1_18:0)	0.89	5.22	0.0	0.0	2.01	0.81	0.00	0.00
CL(17:1_18:1_20:0_16:1)	0.00	0.00	43.6	26.5	0.00	0.00	0.00	0.00
CL(17:1_18:1_18:1_18:1)	0.00	0.00	34.3	19.1	0.00	0.00	0.00	0.00
CL(17:1_18:1_18:2_18:1)	10.47	6.21	84.0	47.1	9.24	12.25	63.08	38.85
CL(17:1_18:2_16:1_20:3)	12.99	8.49	12.8	5.7	10.83	16.16	6.59	9.78
CL(17:1_16:1_18:2_20:4)	3.45	2.39	4.4	2.4	2.42	4.01	3.42	4.47
CL(17:1_16:1_16:1_22:6)	0.84	0.51	0.0	0.0	0.74	1.49	0.00	0.00
CL(22:6_15:1_16:1_18:1)	0.01	0.14	0.0	0.0	0.06	0.00	0.00	0.00
CL(20:5_18:2_16:1_18:2)	3.12	2.06	0.0	0.0	1.55	2.18	0.00	0.00
CL(18:2_16:1_16:1_22:6)	0.00	0.00	5.3	2.9	0.00	0.00	2.63	1.51
CL(18:4_18:2_16:1_20:4)	1.25	0.66	0.0	0.0	0.58	0.56	0.00	0.00
CL(18:4_22:6_16:1_16:1)	1.88	0.98	0.0	0.0	1.00	0.82	0.00	0.00
CL(18:1_18:1_18:1_18:1)	413.32	240.34	330.9	200.3	84.24	48.41	50.79	14.93
CL(18:2_18:1_18:1_18:1)	444.56	291.11	358.7	197.0	133.28	92.42	112.00	36.97
CL(18:2_18:1_18:2_18:0)	20.28	9.54	0.0	0.0	3.44	2.57	0.00	0.00
CL(18:2_18:1_16:0_20:3)	24.20	14.49	0.0	0.0	7.19	6.71	0.00	0.00
CL(18:2_18:1_18:1_18:2)	316.51	222.22	325.3	174.4	115.40	100.65	125.71	57.90
CL(20:2_16:1_18:1_18:2)	33.02	20.69	0.0	0.0	11.23	10.42	0.00	0.00
CL(18:2_18:1_16:1_20:3)	17.82	13.79	131.4	64.3	11.51	9.83	57.83	30.95
CL(18:2_18:1_16:1_20:4)	12.10	10.02	55.5	27.9	6.90	5.72	20.07	11.79
CL(18:1_16:1_16:1_22:6)	18.42	14.04	0.0	0.0	7.57	9.07	0.00	0.00
CL(20:5_18:2_16:1_18:1)	8.62	6.07	24.0	14.0	3.06	2.78	4.58	4.05
CL(19:1_18:1_18:1_18:1)	6.45	4.44	0.0	0.0	4.29	4.10	0.00	0.00
CL(19:1_18:1_18:0_18:2)	0.00	0.00	15.5	9.1	0.00	0.00	0.00	0.00
CL(17:1_18:1_20:3_18:2)	3.40	2.50	11.8	5.4	3.45	3.91	3.75	3.15
CL(17:1_18:1_18:2_20:4)	1.64	1.45	5.2	2.5	1.80	2.19	2.87	3.35
CL(17:1_18:1_16:1_22:6)	2.31	1.82	2.5	1.4	1.35	2.31	0.00	0.00
CL(18:2_18:1_16:1_22:6)	12.12	9.56	12.4	6.6	3.14	3.74	3.94	2.47
CL(18:2_18:2_16:1_22:6)	2.09	1.40	2.9	1.1	0.54	0.82	0.00	0.00
CL(18:4_22:6_16:1_18:1)	1.73	1.04	0.0	0.0	1.02	0.78	0.00	0.00
CL(20:5_18:2_20:4_16:1)	1.28	0.77	0.0	0.0	0.45	0.35	0.00	0.00
CL(18:4_22:6_16:1_18:2)	1.83	0.92	0.0	0.0	0.65	0.50	0.00	0.00
CL(18:1_18:1_20:1_18:1)	14.85	6.32	0.0	0.0	1.69	0.84	0.00	0.00
CL(20:2_18:1_18:2_18:0)	0.00	0.00	25.1	15.4	0.00	0.00	5.89	1.63
CL(20:2_18:1_18:1_18:1)	37.04	19.76	0.0	0.0	7.82	5.03	4.19	1.04
CL(18:1_18:1_20:3_18:1)	97.05	65.19	71.4	40.1	23.80	19.48	15.63	4.63
CL(18:1_20:3_18:2_18:0)	22.67	16.61	0.0	0.0	6.79	6.48	0.00	0.00
CL(18:1_20:3_18:1_18:2)	19.47	11.60	82.0	38.5	5.65	4.40	5.78	2.38
CL(18:2_18:1_20:3_18:2)	10.83	7.64	0.0	0.0	5.24	4.36	6.90	3.59
CL(18:2_18:1_18:2_20:4)	6.34	4.87	0.0	0.0	2.64	2.59	0.00	0.00
CL(18:2_18:1_16:1_22:5)	0.00	0.00	29.1	16.0	0.00	0.00	4.51	3.74
CL(18:2_20:3_20:3_16:1)	0.00	0.00	0.0	0.0	0.00	0.00	6.63	3.67
CL(17:1_18:1_20:3_20:3)	0.59	0.18	0.0	0.0	0.59	0.73	0.00	0.00
CL(17:1_18:1_18:1_22:6)	1.50	1.15	0.0	0.0	0.56	1.12	0.00	0.00
CL(17:1_20:4_18:1_20:3)	0.18	0.07	0.0	0.0	0.30	0.54	0.00	0.00
CL(18:2_20:3_18:1_20:4)	5.04	4.02	0.0	0.0	0.61	0.74	0.00	0.00
CL(18:2_18:1_22:6_18:1)	0.00	0.00	8.1	4.1	0.00	0.00	0.00	0.00
CL(18:2_18:1_18:2_22:6)	3.81	2.98	3.7	1.8	0.43	0.66	0.00	0.00
CL(22:6_20:4_16:0_18:1)	0.78	0.42	0.0	0.0	0.16	0.15	0.00	0.00
CL(18:1_16:1_20:4_22:6)	1.81	1.01	0.0	0.0	0.90	0.72	0.00	0.00
CL(18:2_22:6_16:1_20:3)	0.44	0.31	0.0	0.0	0.02	0.02	0.00	0.00
CL(20:5_22:5_16:1_18:1)	0.00	0.00	0.0	0.0	0.00	0.00	0.99	0.61
CL(18:4_22:6_18:1_18:2)	1.42	0.76	0.0	0.0	0.57	0.41	0.00	0.00
CL(20:5_18:2_22:6_16:1)	1.09	0.51	0.0	0.0	0.27	0.22	0.00	0.00
CL(18:2_20:3_18:1_20:1)	1.70	0.73	0.0	0.0	0.20	0.13	0.00	0.00
CL(20:2_18:1_20:3_18:1)	6.21	3.78	7.4	3.9	1.60	1.51	0.88	0.20
CL(20:2_18:2_18:1_20:3)	9.16	6.37	0.0	0.0	2.12	2.51	0.00	0.00
CL(18:1_20:3_18:1_20:3)	0.00	0.00	11.2	5.4	0.00	0.00	2.28	0.82
CL(18:2_18:1_20:3_20:3)	10.49	8.32	12.9	6.8	2.00	2.36	0.00	0.00
CL(18:1_18:1_18:1_22:6)	0.00	0.00	0.0	0.0	0.00	0.00	2.00	0.95
CL(18:1_16:1_22:5_22:5)	1.93	0.69	0.0	0.0	0.30	0.24	0.00	0.00
CL(20:5_22:6_18:1_18:1)	1.21	0.58	0.0	0.0	0.37	0.30	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(16:0_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(17:1_18:1_20:0_16:1)
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(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(19:1_18:1_18:1_18:1)
CL(19:1_18:1_18:0_18:2)
CL(17:1_18:1_20:3_18:2)
CL(17:1_18:1_18:2_20:4)
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_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(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(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(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_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(20:5_22:6_18:1_18:1)
METABOLITES_END
#END