#METABOLOMICS WORKBENCH hienbui_20250306_073923 DATATRACK_ID:5700 STUDY_ID:ST003808 ANALYSIS_ID:AN006261 PROJECT_ID:PR002382
VERSION             	1
CREATED_ON             	March 21, 2025, 11:35 am
#PROJECT
PR:PROJECT_TITLE                 	Lipidomics of human mammary epithelial stem-like cells (hMECs) overexpressing
PR:PROJECT_TITLE                 	Glucose-6-phosphate dehydrogenase (G6PD)
PR:PROJECT_SUMMARY               	Peroxisomes play a crucial role in cellular metabolism. Glucose-6-phosphate
PR:PROJECT_SUMMARY               	dehydrogenase (G6PD), the gatekeeper enzyme of the pentose phosphate pathway, is
PR:PROJECT_SUMMARY               	primarily localized in the cytosol. However, studies have reported its presence
PR:PROJECT_SUMMARY               	in peroxisomes as well. This project aims to determine the function of G6PD on
PR:PROJECT_SUMMARY               	the peroxisomal membrane. To investigate this, we overexpressed G6PD either in
PR:PROJECT_SUMMARY               	the cytosol or on the peroxisomal membrane of human mammary epithelial stem-like
PR:PROJECT_SUMMARY               	cells (hMECs), a cell line that retains characteristics of primary mammary
PR:PROJECT_SUMMARY               	epithelial stem cells, and analyzed their lipidomic profiles for comparison.
PR:INSTITUTE                     	University of Helsinki
PR:DEPARTMENT                    	Faculty of Biological and Environmental Sciences
PR:LABORATORY                    	Katajisto Laboratory
PR:LAST_NAME                     	Bui
PR:FIRST_NAME                    	Hien
PR:ADDRESS                       	Biocenter 1, Viikinkaari 9, Helsinki, Uusimaa, 00790, Finland
PR:EMAIL                         	hien.bui@helsinki.fi
PR:PHONE                         	+358294159407
#STUDY
ST:STUDY_TITLE                   	Glucose-6-phosphate-dehydrogenase on old peroxisomes maintains self-renewal of
ST:STUDY_TITLE                   	epithelial stem cells after asymmetric cell division
ST:STUDY_SUMMARY                 	Peroxisomes play a crucial role in cellular metabolism. Glucose-6-phosphate
ST:STUDY_SUMMARY                 	dehydrogenase (G6PD), the gatekeeper enzyme of the pentose phosphate pathway, is
ST:STUDY_SUMMARY                 	primarily localized in the cytosol. However, studies have reported its presence
ST:STUDY_SUMMARY                 	in peroxisomes as well. This project aims to determine the function of G6PD on
ST:STUDY_SUMMARY                 	the peroxisomal membrane. In this study, we overexpressed G6PD in either the
ST:STUDY_SUMMARY                 	cytosol or on the peroxisomal membrane of mammary epithelial stem-like cells
ST:STUDY_SUMMARY                 	(hMECs). By comparing their lipidomic profiles, we found that peroxisomal
ST:STUDY_SUMMARY                 	membrane-associated G6PD provides NADPH, which feeds into peroxisomal ether
ST:STUDY_SUMMARY                 	lipid synthesis.
ST:INSTITUTE                     	University of Helsinki
ST:DEPARTMENT                    	Faculty of Biological and Environmental Sciences
ST:LABORATORY                    	Katajisto Laboratory
ST:LAST_NAME                     	Hien
ST:FIRST_NAME                    	Bui
ST:ADDRESS                       	Biocenter 1, Viikinkaari 9
ST:EMAIL                         	hien.bui@helsinki.fi
ST:PHONE                         	+358294159407
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#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           	-	c-pos-1	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Overexpressed	Replicate=rep1; RAW_FILE_NAME(Raw_file_name)=c-pos-1_06032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	c-neg-2	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Non-overexpressed	Replicate=rep1; RAW_FILE_NAME(Raw_file_name)=c-neg-2_06032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	p-pos-3	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Overexpressed	Replicate=rep1; RAW_FILE_NAME(Raw_file_name)=p-pos-3_06032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	p-neg-4	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Non-overexpressed	Replicate=rep1; RAW_FILE_NAME(Raw_file_name)=p-neg-4_06032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	c-pos-5	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Overexpressed	Replicate=rep2; RAW_FILE_NAME(Raw_file_name)=c-pos-5_06032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	c-neg-6	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Non-overexpressed	Replicate=rep2; RAW_FILE_NAME(Raw_file_name)=c-neg-6_06032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	p-pos-7	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Overexpressed	Replicate=rep2; RAW_FILE_NAME(Raw_file_name)=p-pos-7_06032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	p-neg-8	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Non-overexpressed	Replicate=rep2; RAW_FILE_NAME(Raw_file_name)=p-neg-8_07032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	c-pos-9	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Overexpressed	Replicate=rep3; RAW_FILE_NAME(Raw_file_name)=c-pos-9_07032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	c-neg-10	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Non-overexpressed	Replicate=rep3; RAW_FILE_NAME(Raw_file_name)=c-neg-10_06032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	p-pos-11	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Overexpressed	Replicate=rep3; RAW_FILE_NAME(Raw_file_name)=p-pos-11_06032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	p-neg-12	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Non-overexpressed	Replicate=rep3; RAW_FILE_NAME(Raw_file_name)=p-neg-12_07032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	c-pos-13	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Overexpressed	Replicate=rep4; RAW_FILE_NAME(Raw_file_name)=c-pos-13_07032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	c-neg-14	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Non-overexpressed	Replicate=rep4; RAW_FILE_NAME(Raw_file_name)=c-neg-14_06032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	p-pos-15	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Overexpressed	Replicate=rep4; RAW_FILE_NAME(Raw_file_name)=p-pos-15_06032024-1.CDF
SUBJECT_SAMPLE_FACTORS           	-	p-neg-16	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Non-overexpressed	Replicate=rep4; RAW_FILE_NAME(Raw_file_name)=p-neg-16_07032024-1.CDF
#COLLECTION
CO:COLLECTION_SUMMARY            	Human mammary epithelial cells (hMECs) line FL2 (PMID: 21498687) was used for
CO:COLLECTION_SUMMARY            	this study. hMECs were maintained in MEGM mammary epithelial medium (Lonza,
CO:COLLECTION_SUMMARY            	CC-3153). G6PD overexpression plasmids were generated in a pRP backbone by
CO:COLLECTION_SUMMARY            	inserting the G6PD sequence with or without peroxisomal targeting signal
CO:COLLECTION_SUMMARY            	downstream of the hPGK promoter. In addition, the plasmids contain an mCherry
CO:COLLECTION_SUMMARY            	sequence downstream of an IRES sequence. mCherry was used as the selection
CO:COLLECTION_SUMMARY            	marker for transfected cells in FACS sorting. To over-express G6PD in hMECs,
CO:COLLECTION_SUMMARY            	endotoxin-free plasmids were transfected to the cells using jetPRIME (Polyplus,
CO:COLLECTION_SUMMARY            	101000015). 24hours post-transfection, cells were trypsinized, sorted into
CO:COLLECTION_SUMMARY            	culture media by Fluorescence-Activated Cell Sorting (FACS), centrifuged at 500g
CO:COLLECTION_SUMMARY            	for 5min, washed 1 with cold PBS following by washed 1 with sucrose 0.25M.
CO:COLLECTION_SUMMARY            	Pellets were snap freeze with liquid N2 and store at -70.
CO:SAMPLE_TYPE                   	Epithelial cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Human mammary epithelial stem like cells (hMECs) were transfected with
TR:TREATMENT_SUMMARY             	endotoxin-free G6PD overexpression plasmids using jetPRIME (Polyplus,
TR:TREATMENT_SUMMARY             	101000015). Cells were analyzed 24h post-transfection.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	GC-MS: Fatty acyl (FA) and alkenyl chains, and fatty alcohols (FOHs) were
SP:SAMPLEPREP_SUMMARY            	analysed by gas chromatography (GC). Aliquots of cell pellet Folch-extracts were
SP:SAMPLEPREP_SUMMARY            	evaporated near to dryness under nitrogen flow and the extracted lipids were
SP:SAMPLEPREP_SUMMARY            	transmethylated by heating with 1% H2SO4 in methanol under nitrogen atmosphere.
SP:SAMPLEPREP_SUMMARY            	This converts FAs to their methyl esters (FAMEs), phospholipid-derived alkenyl
SP:SAMPLEPREP_SUMMARY            	chains to dimethyl acetals (DMAs) and leaves FOHs (1-ol) intact. After adding
SP:SAMPLEPREP_SUMMARY            	water, the FAMEs, DMAs and FOHs were extracted with hexane, and the sample
SP:SAMPLEPREP_SUMMARY            	solution was dried, and concentrated. LC-MS: Lipids were extracted from cell
SP:SAMPLEPREP_SUMMARY            	pellets (at least from one million cells) according to Folch et al (PMID:
SP:SAMPLEPREP_SUMMARY            	13428781), and dissolved in chloroform/methanol 1:2 (v/v). Internal standards
SP:SAMPLEPREP_SUMMARY            	[EquiSPLASH® internal standard mixture and Ceramide (Cer) 18:1;O2/17:0, both
SP:SAMPLEPREP_SUMMARY            	from Merck] were added and samples were analyzed with LC-MS/MS.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The samples were injected into a GC-2010 Plus gas chromatograph (Shimadzu
CH:CHROMATOGRAPHY_SUMMARY        	Scientific Instruments, Kyoto, Japan) with flame-ionization detector (FID) for
CH:CHROMATOGRAPHY_SUMMARY        	quantification of the analytes. Both GC systems were equipped with Zebron ZB-wax
CH:CHROMATOGRAPHY_SUMMARY        	capillary columns (30 m, 0.25 mm ID and film thickness 0.25 μm; Phenomenex,
CH:CHROMATOGRAPHY_SUMMARY        	Torrence CA, USA). GC-FID chromatographic peak areas (in the TXT files; analyte
CH:CHROMATOGRAPHY_SUMMARY        	retention times in Table 1) were converted to mol% using the theoretical
CH:CHROMATOGRAPHY_SUMMARY        	correction factors for FID (6), and the FOHs were calculated as µmol/10^6
CH:CHROMATOGRAPHY_SUMMARY        	cells.
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Shimadzu GC-2010
CH:COLUMN_NAME                   	Phenomenex Zebron ZB-wax capillary (30m x 0.25mm, 0.25um)
CH:SOLVENT_A                     	NA
CH:SOLVENT_B                     	NA
CH:FLOW_GRADIENT                 	NA
CH:FLOW_RATE                     	1.8 ml min–1 for FID and 1.0 ml min–1 for MSD
CH:COLUMN_TEMPERATURE            	280 °C for FID and 210 °C for MSD.
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Helsinki University Lipidomics Unit (HiLIPID)
#MS
MS:INSTRUMENT_NAME               	Shimadzu QP2010 Plus
MS:INSTRUMENT_TYPE               	GC-FID & GC-MSD
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The samples were injected into a GC-2010 Plus gas chromatograph (Shimadzu
MS:MS_COMMENTS                   	Scientific Instruments, Kyoto, Japan) with flame-ionization detector (FID) for
MS:MS_COMMENTS                   	quantification of the analytes. Both GC systems were equipped with Zebron ZB-wax
MS:MS_COMMENTS                   	capillary columns (30 m, 0.25 mm ID and film thickness 0.25 μm; Phenomenex,
MS:MS_COMMENTS                   	Torrence CA, USA). GC-FID chromatographic peak areas were converted to mol%
MS:MS_COMMENTS                   	using the theoretical correction factors for FID, and the FOHs were calculated
MS:MS_COMMENTS                   	as µmol/1 million cells (ebook ISBN:9780429127557). The identifications were
MS:MS_COMMENTS                   	performed using a GCMS-QP2010 Ultra (Shimadzu Scientific Instruments, Kyoto,
MS:MS_COMMENTS                   	Japan) with mass selective detector (MSD). The spectra of the analytes were
MS:MS_COMMENTS                   	compared with the spectra of several authentic standard mixtures of FAMEs
MS:MS_COMMENTS                   	(Supelco CRM47885, 47033, 47085-U, 47015-U and 47080-U) and published reference
MS:MS_COMMENTS                   	mass spectra (https://lipidmaps.org/resources/lipid_web?page=ms/masspec.html).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	c-pos-1	c-neg-2	p-pos-3	p-neg-4	c-pos-5	c-neg-6	p-pos-7	p-neg-8	c-pos-9	c-neg-10	p-pos-11	p-neg-12	c-pos-13	c-neg-14	p-pos-15	p-neg-16
Factors	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Non-overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Non-overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Non-overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Non-overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Non-overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Non-overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:cytosolic G6PD | G6PD expression:Non-overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Overexpressed	Sample source:human mammary epithelial stem-like cell | Sample type:peroxisomal G6PD | G6PD expression:Non-overexpressed
FA 12:0	738	4289	13601	6041	18427	6804	7384	10366	11646	515	7993	7077	11182	9245	9742	10964
FA 13:0	2377	141	322	3607	5517	4438	2741	3131	3039	2721	4456	2966	3017	3378	347	3501
FA 14:0 iso	3034	2377	6748	2052	2632	3135	388	2819	2365	208	2488	2684	2388	2452	2795	3212
FA 14:0	58745	40553	201451	42744	102106	46681	13387	64558	75148	52241	70466	90063	82853	75327	80649	97421
FA 14:1n-5	3256	496	19279	3662	5644	4032	13757	6367	3329	3218	4637	6199	2636	4805	4274	6608
FA 15:0 iso	12146	4945	31862	9674	12751	7129	20213	24914	3483	1332	4015	3295	2792	3965	3195	450
FA 15:0 anteiso	4454	233	16243	3671	7468	2265	7977	863	3185	1934	2726	4258	2786	4343	3924	5859
FA 15:0	9578	9225	43043	10086	20961	8651	25208	12534	9945	9257	9967	10572	7223	6083	7923	10589
FA 16:0 iso	3945	3244	25182	398	559	3541	10542	4908	3439	2718	3252	6674	2525	3933	3671	5558
DMA 16:0	84444	54241	85679	54369	96374	68139	8087	78957	124457	69399	113386	10917	145327	121255	150477	126182
DMA 16:1n-7	1178	879	1929	38	1664	54	8897	1034	985	672	1275	31588	1253	801	1048	1031
FA 16:0	683939	459091	1924283	483034	1017129	513837	1135187	69372	848724	58824	786394	857364	965793	869902	990763	957149
FA 16:1n-9	590	4974	39434	5378	13057	7535	25849	11024	15008	6863	897	29556	18027	12372	15523	16928
FA 16:1n-7	309938	281913	103308	280646	320236	284395	701515	378483	408034	367355	393565	506712	448008	483842	479657	522887
FA 16:1n-5	4365	3507	24456	443	4162	5453	11851	6283	630	4042	5768	4664	6755	7104	7773	6468
FA 17:0 iso	10038	5566	44075	7495	10635	681	2758	8372	2601	6041	9055	26654	3328	7458	728	7881
FA 17:0 anteiso	4951	2016	22054	2552	6454	2155	11914	5746	3972	2098	3999	1914	3986	3612	5348	4914
FA 17:0	4492	2552	31853	3011	10734	260	14907	582	4916	3207	504	5303	5457	4674	4995	5845
FA 17:1n-8	4279	3316	46096	3038	6598	3046	25555	7966	5011	4522	534	3972	5476	5401	694	3759
DMA 18:0	52638	31326	56558	30887	6296	35336	50709	46621	75758	37201	67982	58232	87547	67668	93848	72092
DMA 18:1n-9	18384	15526	42966	14899	23916	16124	22032	2332	24589	15698	22841	56858	28148	26746	30775	38111
DMA 18:1n-7	2668	1979	33739	20075	32789	2133	28746	28986	31723	19131	3189	33494	40544	35245	43474	38517
FA 18:0	497598	287118	840659	311724	656542	329353	518829	424989	604286	361595	532256	495523	697744	580967	682358	637232
FA 18:1n-11	8998	5914	11868	6107	10929	6325	13283	7659	10143	5542	9443	3679	12992	10439	13454	6548
FA 18:1n-9	1219006	857028	344594	88365	1407047	963638	235757	1335317	1613146	1130209	1560506	159728	1888278	1685981	2011249	1792481
FA 18:1n-7	413109	314231	745118	332269	471511	367742	584957	469276	529137	360851	539113	527913	688775	616748	735699	655824
FA 18:1n-5	17293	1534	32664	18606	21459	18705	32436	26371	23828	19616	26234	22085	3411	30885	3380	25453
FA 18:2n-6	49102	25422	80231	25233	55936	32812	66463	46762	48704	24959	50004	48168	70201	59612	76872	70833
FA 19:0	66	228	3592	217	1937	201	2515	829	367	868	799	418	44	464	249	205
18:2NMI1	9833	7177	39871	6911	14519	6927	15544	10478	10756	6074	8481	28778	10938	8974	11784	17342
18:2NMI2	2362	3508	4637	2892	3298	2682	3917	346	2855	2189	2134	2171	215	333	3704	2251
FA 20:0	12185	7378	24887	6656	45018	8188	14846	11351	13753	7995	12981	8364	15024	1320	15228	10963
FA 20:1n-11	4855	275	18381	3269	23044	380	12811	5975	6877	5019	6557	894	10343	7337	10445	63302
FA 20:1n-9	37941	21831	128977	23363	56954	27749	79927	42951	45459	26504	4721	82203	6046	43841	63984	63588
FA 20:1n-7	27088	1844	52655	19446	36022	23777	38609	30131	33445	21393	34474	37915	46666	35471	49543	38419
FA 20:2n-6	3593	1918	7955	1646	767	3032	7239	4127	3042	122	4209	16328	5938	5009	5838	14265
20:3NMI	6698	4639	7064	4802	11284	6613	9123	8044	886	7794	8336	2898	11813	10355	12498	7539
FA 20:3n-6	6436	3463	8769	3921	5455	4308	5789	5766	5787	3531	6312	12056	6862	586	9396	11121
FA 21:0	521	253	845	177	1713	79	264	333	426	31	187	149	35	414	53	388
FA 20:4n-6	35343	19436	42239	18375	3876	22801	29171	34316	35436	18155	35345	42915	49927	42993	61538	53379
FA 20:5n-3	7458	4085	14325	3359	7284	4767	6349	667	6605	3975	754	14697	9617	9346	12527	19558
FA 22:0	26164	19658	28536	16874	52558	21551	24997	26266	30872	19718	27733	31534	32154	31528	34663	31638
FA 22:1n-11	5073	3174	12421	1898	10456	3132	10591	5035	416	3166	4812	4154	5876	322	4768	4001
FA 22:1n-9	66151	45362	10837	38348	54242	43093	53553	83054	85924	37787	44847	77467	80471	43765	46719	79791
FA 22:1n-7	829	6345	7597	5961	7733	8014	9213	8357	5357	4273	7249	4959	6986	656	6992	611
FA 22:2n-9	3976	187	4477	2422	7289	3497	6206	333	3785	1797	4612	2718	5494	2943	5693	4327
FA 23:0	1747	2457	11379	241	11898	3109	9045	4719	1542	2275	2256	13488	3494	2123	3213	7543
FA 22:4n-6	5371	3288	4164	1861	4223	305	3331	3433	3436	1698	4341	3721	6603	5599	6944	5915
FA 22:5n-3	21017	10417	25583	11096	20848	13174	15477	21736	19355	8334	1884	20531	28837	25878	34432	29654
FA 24:0	43794	20425	39405	18985	89132	28964	61234	31494	54547	28422	44295	35537	5739	43438	56442	37289
FA 22:6n-3	6043	2606	7494	1908	45168	3705	36822	7871	4516	2385	4148	17876	7632	6824	9162	24095
FA 24:1n-9	48312	32228	72754	27238	103651	36734	80685	50722	50395	2758	44265	37825	63896	52518	65809	51731
FA 24:1n-7	1027	8506	16702	6224	7455	10122	14527	1750	11147	5375	12214	6009	11448	12897	17244	9808
FA 26:0	701	285	1765	116	191	1198	562	16	1061	6417	4633	355	13254	8901	861	2731
FA 26:1n-9	412	905	19194	316	692	343	761	825	5301	261	3373	1647	4755	5393	7295	3977
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Retention time
FA 12:0	2.82
FA 13:0	3.29
FA 14:0 iso	3.62
FA 14:0	3.99
FA 14:1n-5	4.35
FA 15:0 iso	4.47
FA 15:0 anteiso	4.63
FA 15:0	4.98
FA 16:0 iso	5.66
DMA 16:0	5.87
DMA 16:1n-7	6.24
FA 16:0	6.41
FA 16:1n-9	6.77
FA 16:1n-7	6.89
FA 16:1n-5	7.13
FA 17:0 iso	7.37
FA 17:0 anteiso	7.7
FA 17:0	8.43
FA 17:1n-8	8.96
DMA 18:0	9.99
DMA 18:1n-9	10.39
DMA 18:1n-7	10.6
FA 18:0	10.86
FA 18:1n-11	11.17
FA 18:1n-9	11.37
FA 18:1n-7	11.55
FA 18:1n-5	11.9
FA 18:2n-6	12.54
FA 19:0	13.48
18:2NMI1	14.78
18:2NMI2	15.7
FA 20:0	16.13
FA 20:1n-11	16.51
FA 20:1n-9	16.62
FA 20:1n-7	16.85
FA 20:2n-6	17.85
20:3NMI	17.99
FA 20:3n-6	18.57
FA 21:0	18.8
FA 20:4n-6	19.2
FA 20:5n-3	21.25
FA 22:0	22.01
FA 22:1n-11	22.43
FA 22:1n-9	22.7
FA 22:1n-7	23.05
FA 22:2n-9	23.32
FA 23:0	24.8
FA 22:4n-6	26.87
FA 22:5n-3	30.3
FA 24:0	31.44
FA 22:6n-3	32.03
FA 24:1n-9	32.6
FA 24:1n-7	33.27
FA 26:0	48.56
FA 26:1n-9	51.11
METABOLITES_END
#END