#METABOLOMICS WORKBENCH Ikari_20210730_064032 DATATRACK_ID:2780 STUDY_ID:ST001894 ANALYSIS_ID:AN003075 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	August 2, 2021, 5:54 pm
#PROJECT
PR:PROJECT_TITLE                 	Mass Spectrometric Data of Cardiolipin in Mice under Mieap Expression
PR:PROJECT_SUMMARY               	Mass spectrometric data of Cardiolipin in Mouse kidney (Mieap-WT vs. Mieap-KO)
PR:PROJECT_SUMMARY               	and liver (Mieap-WT vs. Mieap-KO).
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 II)
ST:STUDY_SUMMARY                 	Mass spectrometric data of Cardiolipin in Mice kidney (Mieap-WT vs. Mieap-KO),
ST:STUDY_SUMMARY                 	and Mice liver (Mieap-WT vs. Mieap-KO)
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                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL/6J Mieap-WT and Mieap-KO
SU:AGE_OR_AGE_RANGE              	22-25 weeks of age
SU:GENDER                        	Male
SU:ANIMAL_HOUSING                	housed at 22 ± 2°C
SU:ANIMAL_LIGHT_CYCLE            	a 12 h light/dark cycle
SU:ANIMAL_FEED                   	free access to CE-2 (CLEA Japan)
SU:ANIMAL_WATER                  	free access to water
#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           	-	Kidney Mieap WT 1	Genotype:Wild-type	
SUBJECT_SAMPLE_FACTORS           	-	Kidney Mieap KO 1	Genotype:Mieap-knockout	
SUBJECT_SAMPLE_FACTORS           	-	Kidney Mieap WT 2	Genotype:Wild-type	
SUBJECT_SAMPLE_FACTORS           	-	Kidney Mieap KO 2	Genotype:Mieap-knockout	
SUBJECT_SAMPLE_FACTORS           	-	Liver Mieap WT 1	Genotype:Wild-type	
SUBJECT_SAMPLE_FACTORS           	-	Liver Mieap KO 1	Genotype:Mieap-knockout	
SUBJECT_SAMPLE_FACTORS           	-	Liver Mieap WT 2	Genotype:Wild-type	
SUBJECT_SAMPLE_FACTORS           	-	Liver Mieap KO 2	Genotype:Mieap-knockout	
#COLLECTION
CO:COLLECTION_SUMMARY            	The mouse tissues were snap-frozen in liquid nitrogen after weight measurement,
CO:COLLECTION_SUMMARY            	and subsequently stored at -80°C until lipidomic analysis.
CO:SAMPLE_TYPE                   	Kidney and liver
CO:VOLUMEORAMOUNT_COLLECTED      	53.6-139.4mg
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	The Mieap-knockout (Mieap-/-) mice were generated by using the Cre/loxP
TR:TREATMENT_SUMMARY             	recombination system as previously reported[1]. Briefly, the floxed and trapped
TR:TREATMENT_SUMMARY             	alleles were generated using a single construct bearing a gene-trap cassette
TR:TREATMENT_SUMMARY             	doubly flanked by LoxP and FRT located between exons 5 and 8 of the mouse Mieap
TR:TREATMENT_SUMMARY             	gene, which is located on chromosome 5. The Mieap homozygous (Mieap-/-)
TR:TREATMENT_SUMMARY             	deficient mice were generated by mating breeding pairs of the Mieap heterozygous
TR:TREATMENT_SUMMARY             	(Mieap+/-) mice. All mice were housed at 22 ± 2°C with a 12 h light/dark cycle
TR:TREATMENT_SUMMARY             	with free access to food, CE-2 (CLEA Japan) and water. [1]Tsuneki, M., Nakamura,
TR:TREATMENT_SUMMARY             	Y., Kinjo, T., Nakanishi, R., and Arakawa, H. (2015). Mieap suppresses murine
TR:TREATMENT_SUMMARY             	intestinal tumor via its mitochondrial quality control. Sci. Rep. 5, 12472.
TR:TREATMENT                     	Knockout
TR:ANIMAL_FASTING                	None
TR:TREATMENT_COMPOUND            	None
#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 lower/organic phase was added with an equal volume of methanol
CH:CHROMATOGRAPHY_SUMMARY        	before being loaded onto a DEAE-cellulose column (Wako chemical)
CH:CHROMATOGRAPHY_SUMMARY        	pre-equilibrated with chloroform. After successive washes with
CH:CHROMATOGRAPHY_SUMMARY        	chloroform/methanol (1:1, v/v), the acidic phospholipids were eluted with
CH:CHROMATOGRAPHY_SUMMARY        	chloroform/methanol/HCl/water (12:12:1:1, v/v), followed by evaporation to
CH:CHROMATOGRAPHY_SUMMARY        	dryness to give a residue, which was resolved 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 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). The
MS:MS_COMMENTS                   	lipid samples were separated on Waters X-Bridge C18 column (3.5 μm, 150 mm ×
MS:MS_COMMENTS                   	1.0 mm i.d.) at 40°C using a gradient solvent system 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                   	The source and ion transfer parameters applied were as followed: spray voltage
MS:MS_COMMENTS                   	3.0 kV. For negative ionization modes, the sheath gas and the capillary
MS:MS_COMMENTS                   	temperature were maintained at 60 and 320 °C, respectively. The Orbitrap mass
MS:MS_COMMENTS                   	analyzer was operated at a resolving power of 70,000 in full-scan mode (scan
MS:MS_COMMENTS                   	range: 200–1800 m/z; automatic gain control (AGC) target:3e6) and of 35,000 in
MS:MS_COMMENTS                   	the Top 20 data-dependent MS2 mode (stepped normalized collision energy: 20, 30
MS:MS_COMMENTS                   	and 40; isolation window: 4.0 m/z; AGC target: 1e5). Identification of CL
MS:MS_COMMENTS                   	molecular species was performed using with LipidSearch4.2 software (Mitsui
MS:MS_COMMENTS                   	knowledge industry).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol/mg
MS_METABOLITE_DATA_START
Samples	Kidney Mieap WT 1	Kidney Mieap KO 1	Kidney Mieap WT 2	Kidney Mieap KO 2	Liver Mieap WT 1	Liver Mieap KO 1	Liver Mieap WT 2	Liver Mieap KO 2
Factors	Genotype:Wild-type	Genotype:Mieap-knockout	Genotype:Wild-type	Genotype:Mieap-knockout	Genotype:Wild-type	Genotype:Mieap-knockout	Genotype:Wild-type	Genotype:Mieap-knockout
CL(12:0_14:0_14:0_14:0)	0.449018771	0.449019608	0.465145934	0.432112366	0.426734349	0.407203907	0.393571429	0.445303384
CL(12:0_14:1_14:1_15:1)	0.44112628	0.317948718	0.362000567	0.266317819	0.502030457	0.557794058	0.395535714	0.469515753
CL(14:1_14:1_14:1_14:1)	1.155716724	0.658220211	0.715500142	0.527678326	1.16751269	1.432844933	0.952142857	1.137543757
CL(10:0_20:3_14:0_14:0)	6.218003413	8.185520362	8.061773874	8.726246213	8.849407783	8.142043142	9.646428571	8.32117853
CL(12:3_18:2_14:1_15:1)	0.267491468	0.356108597	0.327713233	0.244423024	0.30998308	0.019652015	0.485535714	0.581826138
CL(15:0_16:1_15:0_16:1)	0.273250853	0.277978884	0.264097478	0.247177086	0.201015228	0.178612129	0.206071429	0.187427071
CL(18:4_15:0_15:0_15:0)	6.917662116	6.22775264	6.126381411	5.955659598	5.85786802	6.501831502	5.869642857	5.172112019
CL(16:0_16:0_16:0_16:0)	0.149040102	0.148642534	0.252621139	0.25130818	0	0	0	0
CL(14:0_16:0_16:0_18:1)	0.358148464	0.32428356	0.350240861	0.307904159	0	0	0	0
CL(18:2_14:0_16:0_16:1)	0.322738908	0.294268477	0.236752621	0.21550537	0.271912014	0.194749695	0.229642857	0.216015169
CL(16:0_16:0_16:0_18:1)	1.273464164	1.35520362	1.864550864	1.689617185	0	0	0	0
CL(16:0_16:0_16:0_18:2)	1.273037543	1.184012066	1.391470672	1.321261361	0	0	0	0
CL(18:1_16:0_16:0_16:1)	0	0	0	0	1.149576988	0.747252747	0.610892857	0.475641774
CL(18:2_14:0_16:0_18:1)	1.385025597	1.131221719	0.85548314	0.777471771	1.474111675	1.049043549	1.083571429	0.88987748
CL(18:2_14:0_16:0_18:2)	1.096843003	0.898190045	0.635165769	0.659873313	0	0	0	0
CL(18:2_14:0_16:1_18:1)	0	0	0	0	1.214890017	0.874643875	1.215178571	1.129084014
CL(18:2_14:0_16:1_18:2)	0.803114334	0.918401207	0.687446869	0.693610576	0	0	0	0
CL(18:2_16:1_16:1_16:1)	0	0	0	0	1.28037225	0.913715914	1.933928571	1.584014002
CL(18:2_12:0_18:2_18:2)	0.325725256	0.384766214	0.328563332	0.330349766	0.308460237	0.241147741	0.49	0.421528588
CL(15:0_18:1_16:0_18:1)	0.229308874	0.236500754	0.211674695	0.18493528	0	0	0	0
CL(18:2_16:0_15:0_18:1)	0.287116041	0.257164404	0.204165486	0.17033875	0	0	0	0
CL(18:2_16:1_15:0_18:1)	0	0	0	0	0.249915398	0.196418396	0.293035714	0.250437573
CL(18:2_15:0_16:1_18:2)	0	0	0	0	0.205245347	0.126862027	0.294464286	0.245915986
CL(14:2_22:6_16:1_15:0)	0	0	0	0	0.173434856	0.33048433	0.146785714	0.144792882
CL(16:0_18:0_16:0_18:1)	0.190337031	0.174811463	0.210824596	0.195676122	0	0	0	0
CL(18:1_16:0_16:0_18:1)	7.478668942	8.518853695	8.557665061	7.551638667	4.85786802	3.787138787	3.053571429	1.977829638
CL(18:2_16:0_16:0_18:1)	9.296075085	9.164404223	8.160952111	7.416689617	0	0	0	0
CL(18:1_16:0_16:1_18:1)	0	0	0	0	6.86463621	5.610500611	5.507142857	4.006709452
CL(18:2_16:0_16:0_18:2)	3.94837884	3.30015083	2.602720317	2.356100248	0	0	0	0
CL(18:2_16:0_16:1_18:1)	2.103668942	1.852187029	1.365826013	1.37565409	6.856175973	5.683760684	6.292857143	5.053967328
CL(18:3_16:0_16:0_18:1)	0.261732082	0.290799397	0.374468688	0.350041311	0	0	0	0
CL(18:2_14:0_18:2_18:1)	4.45605802	4.187028658	3.085860017	3.209859543	0	0	0	0
CL(18:2_16:1_16:1_18:1)	0	0	0	0	5.492385787	4.580789581	6.851785714	5.557176196
CL(14:0_16:0_16:0_22:6)	0.26109215	0.216289593	0.196656277	0.158909391	0	0	0	0
CL(18:2_14:0_18:2_18:2)	5.987627986	6.322775264	4.936242562	5.342880749	0	0	0	0
CL(18:2_16:1_16:1_18:2)	0	0	0	0	9.871404399	8.089133089	14.24464286	11.16102684
CL(18:3_14:0_18:2_18:2)	0.501706485	0.570135747	0.43440068	0.466262738	0	0	0	0
CL(18:2_14:1_18:2_18:2)	0	0	0	0	0.81285956	0.686609687	1.332321429	1.094953326
CL(20:5_14:0_18:2_16:1)	0	0	0	0	0.319966159	0.195421245	0.479285714	0.409714119
CL(17:0_18:1_16:0_18:1)	0.268771331	0.277978884	0.256446585	0.24070504	0	0	0	0
CL(17:0_18:1_16:0_18:2)	0.435366894	0.435444947	0.381977897	0.366014872	0	0	0	0
CL(17:1_16:0_18:2_18:1)	0.668088737	0.577677225	0.500283366	0.446571193	0.643147208	0.532153032	0.608035714	0.502771295
CL(18:2_15:0_18:2_18:1)	0.836817406	0.680542986	0.585009918	0.56237951	0.821319797	0.7002442	0.976607143	0.804550758
CL(18:2_15:0_18:2_18:2)	0.853242321	0.667722474	0.621139133	0.610024787	0	0	0	0
CL(17:1_16:1_18:2_18:2)	0	0	0	0	0.742808799	0.629019129	0.963928571	0.802071179
CL(18:2_15:1_18:2_18:2)	0	0	0	0	0.269712352	0.225274725	0.384107143	0.302946324
CL(18:1_16:0_18:0_18:1)	0.421075085	0.410708899	0.385803344	0.370559075	0	0	0	0
CL(20:2_16:0_16:0_18:1)	3.843856655	4.143288084	3.74468688	3.691820435	0	0	0	0
CL(18:1_16:0_18:0_18:2)	0	0	0	0	1.181556684	0.989010989	0.847321429	0.639585764
CL(18:2_18:1_16:0_18:1)	16.08788396	16.44042232	14.56503259	13.54447811	10.17428088	8.371998372	6.771428571	5.405484247
CL(18:2_18:2_16:0_18:1)	1.476749147	1.812971342	1.7242845	1.543651887	1.389678511	1.061253561	0.946607143	0.64046091
CL(18:2_18:1_16:1_18:1)	0	0	0	0	17.27580372	14.56450956	17.41607143	14.47491249
CL(18:2_16:0_18:2_18:2)	2.589590444	2.158371041	2.174837064	2.135775269	1.590862944	1.362433862	1.456785714	1.081096849
CL(18:2_16:1_18:2_18:1)	21.33105802	18.82352941	16.22272598	15.91847976	29.37394247	26.47537648	36.35714286	30.52800467
CL(18:2_16:1_18:2_18:2)	19.79948805	19.7586727	17.92292434	18.01156706	55.58375635	56.20675621	67.41071429	53.54434072
CL(18:2_16:1_22:5_14:0)	0	0	0	0	0.411336717	0.41025641	0.466785714	0.415694282
CL(18:3_16:1_18:2_18:2)	1.631825939	1.736048265	1.354916407	1.399063619	3.685279188	3.194953195	4.726785714	3.75
CL(18:2_16:1_22:6_14:0)	0.899957338	1.022926094	0.786058373	0.797301019	0	0	0	0
CL(20:5_16:1_18:2_16:1)	0	0	0	0	1.866328257	1.502442002	2.532142857	2.116394399
CL(22:6_16:1_18:2_14:1)	0	0	0	0	0.2	0.157753358	0.330178571	0.286026838
CL(19:1_16:0_18:2_18:1)	0.465656997	0.482051282	0.401246812	0.403745525	0	0	0	0
CL(17:1_18:1_18:2_18:1)	0.991040956	0.911463047	0.807877586	0.7964748	0.79001692	0.625763126	0.744464286	0.672695449
CL(17:1_18:2_18:2_18:1)	1.412116041	1.138914027	1.152451119	1.057697604	1.710659898	1.36955637	1.778392857	1.579638273
CL(17:1_18:2_18:2_18:2)	1.683020478	1.396078431	1.385519977	1.353483889	2.604060914	2.354497354	2.710714286	2.341015169
CL(18:2_18:2_20:4_15:0)	0.26087884	0.274358974	0.261405497	0.252272101	0	0	0	0
CL(17:1_18:2_20:4_16:1)	0	0	0	0	0.742978003	0.785103785	0.738571429	0.60457993
CL(20:2_16:0_18:0_18:2)	2.101322526	2.119155354	1.887220176	1.944367943	0	0	0	0
CL(20:2_16:0_18:2_18:1)	11.22653584	11.25490196	12.06857467	12.04076012	0	0	0	0
CL(18:2_18:1_18:1_18:1)	0	0	0	0	3.717428088	2.995522996	3.758928571	3.659568261
CL(16:0_20:3_18:2_18:1)	1.986561433	1.805429864	1.711533012	1.662076563	0.660744501	0.530932031	0.524464286	0.446907818
CL(18:2_18:1_18:1_18:2)	73.2721843	65.58069382	69.08472655	65.83585789	40.03384095	35.02238502	39.53571429	35.457993
CL(18:2_18:2_18:2_18:1)	141.4889078	118.3257919	111.1504676	103.9658496	99.00169205	100.8140008	103.1785714	88.57934656
CL(22:6_16:0_16:0_18:1)	10.70819113	8.998491704	9.124397846	8.450839989	0	0	0	0
CL(18:2_16:0_16:0_22:6)	10.07039249	6.805429864	5.671578351	5.414486367	0	0	0	0
CL(18:2_18:2_16:0_20:4)	11.34172355	7.431372549	6.19013885	5.900578353	0	0	0	0
CL(18:2_18:2_18:2_18:2)	193.6433447	163.0467572	135.8741853	136.2021482	159.0862944	184.2287342	174.3035714	142.2987165
CL(18:3_18:2_18:2_18:2)	9.404863481	8.66214178	9.572116747	9.640594877	14.20473773	14.82498982	15.37857143	12.71003501
CL(18:2_14:0_18:2_22:6)	1.784556314	1.981900452	1.312694814	1.741944368	0	0	0	0
CL(18:4_18:2_18:2_18:2)	0.712244027	0.75158371	0.65556815	0.750206555	1.353637902	1.188034188	1.592857143	1.560676779
CL(20:5_18:2_18:2_16:1)	2.372013652	1.935143288	1.663360725	1.534012669	0	0	0	0
CL(18:3_18:2_20:4_16:1)	0	0	0	0	5.324873096	5.834350834	6.607142857	5.014585764
CL(18:4_18:2_20:4_16:1)	0.357081911	0.472699849	0.369651459	0.378408152	0.808798646	0.688848189	0.995	0.808488915
CL(19:1_18:2_18:1_18:2)	1.183020478	1.104826546	1.054831397	1.072844946	0.768527919	0.558404558	0.508035714	0.488185531
CL(17:0_18:1_16:0_22:6)	0.383319113	0.377677225	0.356049872	0.351005233	0	0	0	0
CL(19:1_18:2_18:2_18:2)	1.79394198	1.461840121	1.442334939	1.361746075	1.343993232	1.164428164	1.032142857	0.951283547
CL(17:1_20:3_18:2_18:2)	0	0	0	0	0.44213198	0.452177452	0.49	0.446616103
CL(17:1_18:2_22:5_16:1)	0	0	0	0	0.274450085	0.254171754	0.29875	0.262106184
CL(17:1_18:2_16:1_22:6)	0	0	0	0	0.295769882	0.272690273	0.287142857	0.26050175
CL(18:2_20:4_15:0_20:4)	0.198421502	0.137360483	0.130036838	0.120380061	0	0	0	0
CL(18:2_18:1_20:0_18:2)	0.672994881	0.66907994	0.642533296	0.690581107	0	0	0	0
CL(18:2_18:1_18:2_20:1)	5.776450512	5.953242836	6.25531312	6.310933627	1.652284264	1.360805861	1.192857143	1.131709452
CL(18:2_18:1_18:0_20:4)	1.55503413	1.397888386	1.551431	1.532635638	0	0	0	0
CL(20:2_18:2_18:1_18:2)	32.29522184	29.95475113	33.35222443	33.09005784	10.41116751	9.413919414	7.958928571	7.645857643
CL(18:2_18:1_16:0_22:5)	4.726962457	4.292609351	4.424766223	4.421646929	0	0	0	0
CL(20:2_18:2_18:2_18:2)	67.64078498	57.31523379	61.16463587	59.40512256	0	0	0	0
CL(18:2_18:1_18:2_20:3)	0	0	0	0	23.23181049	22.75132275	21.66071429	20.915986
CL(18:2_18:1_16:0_22:6)	18.18046075	15.01659125	14.16123548	13.38336546	7.959390863	7.523402523	8.480357143	7.244749125
CL(18:2_18:2_18:2_20:3)	50.27730375	42.32277526	45.3811278	45.26301294	23.1641286	24.96947497	30.69642857	27.90256709
CL(18:2_18:2_16:0_22:6)	16.52517065	11.57918552	9.533862284	8.795097769	0	0	0	0
CL(18:2_18:2_18:2_20:4)	24.48805461	18.86877828	19.76480589	19.36105756	0	0	0	0
CL(18:3_18:2_18:2_20:3)	0	0	0	0	9.382402707	9.432234432	11.54821429	10.0802217
CL(20:5_18:1_18:2_18:2)	0	0	0	0	9.285956007	10.11803012	10.25178571	8.700408401
CL(18:2_18:2_16:1_22:6)	9.901877133	8.413273002	6.953811278	6.956761223	10.36040609	12.27309727	12.0125	8.939614936
CL(18:3_18:2_16:1_22:6)	1.401450512	1.45505279	1.574100312	1.551914073	0	0	0	0
CL(20:5_18:2_20:4_16:1)	0	0	0	0	2.030456853	2.155067155	1.95	1.680280047
CL(18:4_18:2_16:1_22:6)	0.145456485	0.19653092	0.1897138	0.208207105	0	0	0	0
CL(19:1_18:2_20:3_18:1)	0.270904437	0.239517345	0.28279966	0.273202974	0	0	0	0
CL(24:1_24:1_14:1_14:1)	0.109854949	0.11719457	0.122896005	0.132828422	0	0	0	0
CL(20:2_18:2_18:2_20:1)	0.980588737	1.004675716	1.119297251	1.177637015	0.258714044	0.223036223	0.206785714	0.206242707
CL(20:2_18:2_20:3_18:1)	5.462883959	5.197586727	6.63785775	6.590470945	0.4678511	0.384004884	0.538035714	0.366540257
CL(20:2_18:2_18:2_20:3)	0	0	0	0	0.846869712	0.901709402	1.228571429	1.238914819
CL(20:5_20:1_18:1_18:2)	0	0	0	0	0.501861252	0.394179894	0.378392857	0.36945741
CL(18:2_20:3_18:1_20:3)	1.801834471	1.880844646	1.902805327	1.905811071	0	0	0	0
CL(20:2_18:2_16:0_22:6)	7.318686007	5.963800905	5.976197223	5.852382264	0	0	0	0
CL(18:2_22:5_18:2_18:1)	0	0	0	0	2.595600677	2.393162393	2.182142857	2.123687281
CL(18:2_18:1_18:2_22:6)	7.450938567	5.56561086	5.243695098	5.174882952	3.883248731	4.027269027	3.732142857	3.405775963
CL(18:2_18:2_18:2_22:6)	6.523037543	3.909502262	5.616321904	3.146516111	2.92893401	3.567358567	3.594642857	3.303675613
CL(18:3_18:2_22:6_18:2)	2.22056314	2.060331825	2.215925191	2.226659323	0.541624365	0.574074074	0.606607143	0.655630105
CL(20:5_18:2_16:1_22:6)	1.159129693	1.174509804	1.04873902	1.022858717	0.625380711	0.699226699	0.751785714	0.615373396
CL(20:2_18:2_18:1_22:6)	1.081484642	1.035746606	1.272031737	1.270035803	0	0	0	0
CL(18:2_22:6_18:1_20:3)	1.424701365	0.935294118	0.997308019	0.952492426	0	0	0	0
CL(18:2_20:3_18:2_22:6)	6.902730375	5.073906486	7.060073675	7.080694024	0	0	0	0
CL(18:2_22:6_16:0_22:6)	4.249146758	3.079939668	3.022102579	2.839438171	0	0	0	0
CL(20:5_18:1_18:2_22:6)	0	0	0	0	0.162250423	0.254782255	0.155732143	0.137310385
CL(18:2_22:6_16:1_22:6)	2.32721843	1.695324284	1.81071125	1.686863123	0.779695431	1.028897029	0.827142857	0.747666278
CL(20:5_18:2_18:2_22:6)	0.759385666	0.649472097	0.693964296	0.717846323	0	0	0	0
CL(18:4_20:4_18:2_22:6)	0.295221843	0.317647059	0.349957495	0.337372625	0	0	0	0
CL(20:2_20:3_18:2_22:6)	0.224829352	0.166968326	0.323887787	0.35045442	0	0	0	0
CL(20:4_20:3_18:2_22:6)	0.909343003	0.704374057	0.76197223	0.716469292	0	0	0	0
CL(18:2_22:6_18:2_22:6)	3.611348123	2.435897436	3.372060074	3.364087028	0	0	0	0
CL(22:4_24:1_14:1_22:1)	3.103668942	3.307692308	3.245962029	3.357201873	3.551607445	2.814407814	3.357142857	3.045507585
CL(18:2_22:6_20:3_22:6)	0.088694539	0.060180995	0.167186172	0.17832553	0	0	0	0
CL(20:5_22:6_18:2_22:6)	0.40081058	0.225339367	0.301926891	0.274580006	0	0	0	0
CL(24:1_24:1_20:1_20:4)	0.979948805	1.223076923	1.222867668	1.249518039	1.628595601	0.995319495	1.254821429	1.145274212
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
CL(12:0_14:0_14:0_14:0)
CL(12:0_14:1_14:1_15:1)
CL(14:1_14:1_14:1_14:1)
CL(10:0_20:3_14:0_14:0)
CL(12:3_18:2_14:1_15:1)
CL(15:0_16:1_15:0_16:1)
CL(18:4_15:0_15:0_15:0)
CL(16:0_16:0_16:0_16:0)
CL(14:0_16:0_16:0_18:1)
CL(18:2_14:0_16:0_16:1)
CL(16:0_16:0_16:0_18:1)
CL(16:0_16:0_16:0_18:2)
CL(18:1_16:0_16:0_16:1)
CL(18:2_14:0_16:0_18:1)
CL(18:2_14:0_16:0_18:2)
CL(18:2_14:0_16:1_18:1)
CL(18:2_14:0_16:1_18:2)
CL(18:2_16:1_16:1_16:1)
CL(18:2_12:0_18:2_18:2)
CL(15:0_18:1_16:0_18:1)
CL(18:2_16:0_15:0_18:1)
CL(18:2_16:1_15:0_18:1)
CL(18:2_15:0_16:1_18:2)
CL(14:2_22:6_16:1_15:0)
CL(16:0_18:0_16:0_18:1)
CL(18:1_16:0_16:0_18:1)
CL(18:2_16:0_16:0_18:1)
CL(18:1_16:0_16:1_18:1)
CL(18:2_16:0_16:0_18:2)
CL(18:2_16:0_16:1_18:1)
CL(18:3_16:0_16:0_18:1)
CL(18:2_14:0_18:2_18:1)
CL(18:2_16:1_16:1_18:1)
CL(14:0_16:0_16:0_22:6)
CL(18:2_14:0_18:2_18:2)
CL(18:2_16:1_16:1_18:2)
CL(18:3_14:0_18:2_18:2)
CL(18:2_14:1_18:2_18:2)
CL(20:5_14:0_18:2_16:1)
CL(17:0_18:1_16:0_18:1)
CL(17:0_18:1_16:0_18:2)
CL(17:1_16:0_18:2_18:1)
CL(18:2_15:0_18:2_18:1)
CL(18:2_15:0_18:2_18:2)
CL(17:1_16:1_18:2_18:2)
CL(18:2_15:1_18:2_18:2)
CL(18:1_16:0_18:0_18:1)
CL(20:2_16:0_16:0_18:1)
CL(18:1_16:0_18:0_18:2)
CL(18:2_18:1_16:0_18:1)
CL(18:2_18:2_16:0_18:1)
CL(18:2_18:1_16:1_18:1)
CL(18:2_16:0_18:2_18:2)
CL(18:2_16:1_18:2_18:1)
CL(18:2_16:1_18:2_18:2)
CL(18:2_16:1_22:5_14:0)
CL(18:3_16:1_18:2_18:2)
CL(18:2_16:1_22:6_14:0)
CL(20:5_16:1_18:2_16:1)
CL(22:6_16:1_18:2_14:1)
CL(19:1_16:0_18:2_18:1)
CL(17:1_18:1_18:2_18:1)
CL(17:1_18:2_18:2_18:1)
CL(17:1_18:2_18:2_18:2)
CL(18:2_18:2_20:4_15:0)
CL(17:1_18:2_20:4_16:1)
CL(20:2_16:0_18:0_18:2)
CL(20:2_16:0_18:2_18:1)
CL(18:2_18:1_18:1_18:1)
CL(16:0_20:3_18:2_18:1)
CL(18:2_18:1_18:1_18:2)
CL(18:2_18:2_18:2_18:1)
CL(22:6_16:0_16:0_18:1)
CL(18:2_16:0_16:0_22:6)
CL(18:2_18:2_16:0_20:4)
CL(18:2_18:2_18:2_18:2)
CL(18:3_18:2_18:2_18:2)
CL(18:2_14:0_18:2_22:6)
CL(18:4_18:2_18:2_18:2)
CL(20:5_18:2_18:2_16:1)
CL(18:3_18:2_20:4_16:1)
CL(18:4_18:2_20:4_16:1)
CL(19:1_18:2_18:1_18:2)
CL(17:0_18:1_16:0_22:6)
CL(19:1_18:2_18:2_18:2)
CL(17:1_20:3_18:2_18:2)
CL(17:1_18:2_22:5_16:1)
CL(17:1_18:2_16:1_22:6)
CL(18:2_20:4_15:0_20:4)
CL(18:2_18:1_20:0_18:2)
CL(18:2_18:1_18:2_20:1)
CL(18:2_18:1_18:0_20:4)
CL(20:2_18:2_18:1_18:2)
CL(18:2_18:1_16:0_22:5)
CL(20:2_18:2_18:2_18:2)
CL(18:2_18:1_18:2_20:3)
CL(18:2_18:1_16:0_22:6)
CL(18:2_18:2_18:2_20:3)
CL(18:2_18:2_16:0_22:6)
CL(18:2_18:2_18:2_20:4)
CL(18:3_18:2_18:2_20:3)
CL(20:5_18:1_18:2_18:2)
CL(18:2_18:2_16:1_22:6)
CL(18:3_18:2_16:1_22:6)
CL(20:5_18:2_20:4_16:1)
CL(18:4_18:2_16:1_22:6)
CL(19:1_18:2_20:3_18:1)
CL(24:1_24:1_14:1_14:1)
CL(20:2_18:2_18:2_20:1)
CL(20:2_18:2_20:3_18:1)
CL(20:2_18:2_18:2_20:3)
CL(20:5_20:1_18:1_18:2)
CL(18:2_20:3_18:1_20:3)
CL(20:2_18:2_16:0_22:6)
CL(18:2_22:5_18:2_18:1)
CL(18:2_18:1_18:2_22:6)
CL(18:2_18:2_18:2_22:6)
CL(18:3_18:2_22:6_18:2)
CL(20:5_18:2_16:1_22:6)
CL(20:2_18:2_18:1_22:6)
CL(18:2_22:6_18:1_20:3)
CL(18:2_20:3_18:2_22:6)
CL(18:2_22:6_16:0_22:6)
CL(20:5_18:1_18:2_22:6)
CL(18:2_22:6_16:1_22:6)
CL(20:5_18:2_18:2_22:6)
CL(18:4_20:4_18:2_22:6)
CL(20:2_20:3_18:2_22:6)
CL(20:4_20:3_18:2_22:6)
CL(18:2_22:6_18:2_22:6)
CL(22:4_24:1_14:1_22:1)
CL(18:2_22:6_20:3_22:6)
CL(20:5_22:6_18:2_22:6)
CL(24:1_24:1_20:1_20:4)
METABOLITES_END
#END