#METABOLOMICS WORKBENCH mlhomme_20221213_043543 DATATRACK_ID:3642 STUDY_ID:ST002400 ANALYSIS_ID:AN003909
VERSION                          	1
CREATED_ON                       	12-16-2022
#PROJECT
PR:PROJECT_TITLE                 	Alcohol dehydrogenase 1B is crucial for adipocyte homeostasis.
PR:PROJECT_SUMMARY               	Background. Alcohol dehydrogenase (ADH1B), encoded by the ADH1B gene, is a
PR:PROJECT_SUMMARY               	cytosolic enzyme mainly known for its role in ethanol catabolism in the liver. A
PR:PROJECT_SUMMARY               	few studies have paved the way to show an equally important role of ADH1B in
PR:PROJECT_SUMMARY               	adipocytes. This study aimed to better identify the cellular mechanisms and
PR:PROJECT_SUMMARY               	signaling pathways involving ADH1B in adipose tissue and to determine if ADH1B
PR:PROJECT_SUMMARY               	variants might contribute to adipose tissue dysfunction. Results. We showed that
PR:PROJECT_SUMMARY               	CRISPR-Cas9-mediated ADH1B knockout (KO) in human adipose stem cells (ASC)
PR:PROJECT_SUMMARY               	abolished adipocyte differentiation and decreased insulin response. This was
PR:PROJECT_SUMMARY               	accompanied by oxidative stress, altered mitochondrial functions, and cellular
PR:PROJECT_SUMMARY               	senescence. Lipidomic analysis revealed that ADH1B deficiency results in a major
PR:PROJECT_SUMMARY               	remodeling of lipid composition in ASC. An ADH1B homozygous loss-of-function
PR:PROJECT_SUMMARY               	variant was also identified in a patient presenting with a lipodystrophic and
PR:PROJECT_SUMMARY               	insulin resistant syndrome associated with major liver dysfunction, leading to
PR:PROJECT_SUMMARY               	early death. Discussion. This translational study underlines the crucial role of
PR:PROJECT_SUMMARY               	ADH1B in adipose tissue. It unveils cellular mechanisms accounting for its key
PR:PROJECT_SUMMARY               	role in adipogenesis, and adipocyte homeostasis. This study also identifies
PR:PROJECT_SUMMARY               	ADH1B as a candidate gene in monogenic forms of lipodystrophic and insulin
PR:PROJECT_SUMMARY               	resistant syndromes.
PR:INSTITUTE                     	INSERM
PR:LAST_NAME                     	Gautheron
PR:FIRST_NAME                    	Jérémie
PR:ADDRESS                       	27 rue Chaligny, 75012 Paris France
PR:EMAIL                         	jeremie.gautheron@gmail.com
PR:PHONE                         	+33623398373
PR:DOI                           	http://dx.doi.org/10.21228/M8VM64
#STUDY
ST:STUDY_TITLE                   	Alcohol dehydrogenase 1B is crucial for adipocyte homeostasis
ST:STUDY_SUMMARY                 	Background. Alcohol dehydrogenase (ADH1B), encoded by the ADH1B gene, is a
ST:STUDY_SUMMARY                 	cytosolic enzyme mainly known for its role in ethanol catabolism in the liver. A
ST:STUDY_SUMMARY                 	few studies have paved the way to show an equally important role of ADH1B in
ST:STUDY_SUMMARY                 	adipocytes. This study aimed to better identify the cellular mechanisms and
ST:STUDY_SUMMARY                 	signaling pathways involving ADH1B in adipose tissue and to determine if ADH1B
ST:STUDY_SUMMARY                 	variants might contribute to adipose tissue dysfunction. Results. We showed that
ST:STUDY_SUMMARY                 	CRISPR-Cas9-mediated ADH1B knockout (KO) in human adipose stem cells (ASC)
ST:STUDY_SUMMARY                 	abolished adipocyte differentiation and decreased insulin response. This was
ST:STUDY_SUMMARY                 	accompanied by oxidative stress, altered mitochondrial functions, and cellular
ST:STUDY_SUMMARY                 	senescence. Lipidomic analysis revealed that ADH1B deficiency results in a major
ST:STUDY_SUMMARY                 	remodeling of lipid composition in ASC. An ADH1B homozygous loss-of-function
ST:STUDY_SUMMARY                 	variant was also identified in a patient presenting with a lipodystrophic and
ST:STUDY_SUMMARY                 	insulin resistant syndrome associated with major liver dysfunction, leading to
ST:STUDY_SUMMARY                 	early death. Discussion. This translational study underlines the crucial role of
ST:STUDY_SUMMARY                 	ADH1B in adipose tissue. It unveils cellular mechanisms accounting for its key
ST:STUDY_SUMMARY                 	role in adipogenesis, and adipocyte homeostasis. This study also identifies
ST:STUDY_SUMMARY                 	ADH1B as a candidate gene in monogenic forms of lipodystrophic and insulin
ST:STUDY_SUMMARY                 	resistant syndromes.
ST:INSTITUTE                     	INSERM
ST:LAST_NAME                     	Gautheron
ST:FIRST_NAME                    	Jérémie
ST:ADDRESS                       	27 rue Chaligny
ST:EMAIL                         	jeremie.gautheron@gmail.com
ST:PHONE                         	+33623398373
ST:SUBMIT_DATE                   	2022-12-13
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	ADH1B_KO_01_LIP329	ADH1B_KO_01_LIP329	Genotype:ADH1B_KO	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_KO_01; RAW_FILE_NAME=LIP329_C18_10x_KO_01; RAW_FILE_NAME=LIP329_long_1x_KO_01; RAW_FILE_NAME=LIP329_short_1x_KO_01; RAW_FILE_NAME=LIP329_short_20x_KO_01
SUBJECT_SAMPLE_FACTORS           	ADH1B_KO_02_LIP329	ADH1B_KO_02_LIP329	Genotype:ADH1B_KO	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_KO_02; RAW_FILE_NAME=LIP329_C18_10x_KO_02; RAW_FILE_NAME=LIP329_long_1x_KO_02; RAW_FILE_NAME=LIP329_short_1x_KO_02; RAW_FILE_NAME=LIP329_short_20x_KO_02
SUBJECT_SAMPLE_FACTORS           	ADH1B_KO_03_LIP329	ADH1B_KO_03_LIP329	Genotype:ADH1B_KO	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_KO_03; RAW_FILE_NAME=LIP329_C18_10x_KO_03; RAW_FILE_NAME=LIP329_long_1x_KO_03; RAW_FILE_NAME=LIP329_short_1x_KO_03; RAW_FILE_NAME=LIP329_short_20x_KO_03
SUBJECT_SAMPLE_FACTORS           	ADH1B_KO_04_LIP329	ADH1B_KO_04_LIP329	Genotype:ADH1B_KO	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_KO_04; RAW_FILE_NAME=LIP329_C18_10x_KO_04; RAW_FILE_NAME=LIP329_long_1x_KO_04; RAW_FILE_NAME=LIP329_short_1x_KO_04; RAW_FILE_NAME=LIP329_short_20x_KO_04
SUBJECT_SAMPLE_FACTORS           	ADH1B_KO_05_LIP329	ADH1B_KO_05_LIP329	Genotype:ADH1B_KO	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_KO_05; RAW_FILE_NAME=LIP329_C18_10x_KO_05; RAW_FILE_NAME=LIP329_long_1x_KO_05; RAW_FILE_NAME=LIP329_short_1x_KO_05; RAW_FILE_NAME=LIP329_short_20x_KO_05
SUBJECT_SAMPLE_FACTORS           	CTL_01_LIP329	CTL_01_LIP329	Genotype:CTL	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_CTL_01; RAW_FILE_NAME=LIP329_C18_10x_CTL_01; RAW_FILE_NAME=LIP329_long_1x_CTL_01; RAW_FILE_NAME=LIP329_short_1x_CTL_01; RAW_FILE_NAME=LIP329_short_20x_CTL_01
SUBJECT_SAMPLE_FACTORS           	CTL_02_LIP329	CTL_02_LIP329	Genotype:CTL	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_CTL_02; RAW_FILE_NAME=LIP329_C18_10x_CTL_02; RAW_FILE_NAME=LIP329_long_1x_CTL_02; RAW_FILE_NAME=LIP329_short_1x_CTL_02; RAW_FILE_NAME=LIP329_short_20x_CTL_02
SUBJECT_SAMPLE_FACTORS           	CTL_03_LIP329	CTL_03_LIP329	Genotype:CTL	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_CTL_03; RAW_FILE_NAME=LIP329_C18_10x_CTL_03; RAW_FILE_NAME=LIP329_long_1x_CTL_03; RAW_FILE_NAME=LIP329_short_1x_CTL_03; RAW_FILE_NAME=LIP329_short_20x_CTL_03
SUBJECT_SAMPLE_FACTORS           	CTL_04_LIP329	CTL_04_LIP329	Genotype:CTL	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_CTL_04; RAW_FILE_NAME=LIP329_C18_10x_CTL_04; RAW_FILE_NAME=LIP329_long_1x_CTL_04; RAW_FILE_NAME=LIP329_short_1x_CTL_04; RAW_FILE_NAME=LIP329_short_20x_CTL_04
SUBJECT_SAMPLE_FACTORS           	CTL_05_LIP329	CTL_05_LIP329	Genotype:CTL	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_CTL_05; RAW_FILE_NAME=LIP329_C18_10x_CTL_05; RAW_FILE_NAME=LIP329_long_1x_CTL_05; RAW_FILE_NAME=LIP329_short_1x_CTL_05; RAW_FILE_NAME=LIP329_short_20x_CTL_05
#COLLECTION
CO:COLLECTION_SUMMARY            	ASC were isolated from surgical samples of subcutaneous abdominal adipose tissue
CO:COLLECTION_SUMMARY            	from a 25-year-old healthy woman with a normal body mass index (BMI). Adipose
CO:COLLECTION_SUMMARY            	tissue was enzymatically digested with collagenase B (0.2%).
CO:SAMPLE_TYPE                   	Adipose tissue
#TREATMENT
TR:TREATMENT_SUMMARY             	After centrifugation, stromal vascular fraction was filtered, rinsed, plated and
TR:TREATMENT_SUMMARY             	cultured in α-MEM with 10% Fetal Calf Serum (FCS), 1% GlutaMAX (#35050061,
TR:TREATMENT_SUMMARY             	Thermo Fisher Scientific), 1% Penicillin/streptomycin (PS - 10,000 UI/mL), 1%
TR:TREATMENT_SUMMARY             	HEPES and Fibroblast Growth Factor-2 (FGF-2 -145 nmol/L). After 24 h, only ASC
TR:TREATMENT_SUMMARY             	adhered to plastic surfaces, while other cells were removed after culture medium
TR:TREATMENT_SUMMARY             	replacement. ASC were maintained in an undifferentiated state in α-MEM
TR:TREATMENT_SUMMARY             	supplemented with 10 % newborn calf serum (#CA-1151500; Biosera, MI, USA), 1%
TR:TREATMENT_SUMMARY             	GlutaMAX, HEPES and P/S, and FGF-2 (145 nmol/L). Adipocyte differentiation was
TR:TREATMENT_SUMMARY             	induced by treating 2-day post-confluent cultures with high-glucose (25 mmol/L)
TR:TREATMENT_SUMMARY             	DMEM supplemented with 10 % FCS, 1 % PS, 1 µmol/L dexamethasone (#D4902;
TR:TREATMENT_SUMMARY             	Sigma-Aldrich, MI, USA), 1 µM rosiglitazone (#D4902; Sigma-Aldrich), 250 µM
TR:TREATMENT_SUMMARY             	3-isobutyl-1-methyl xanthine (IBMX) (#I7018; Sigma-Aldrich) and 0.17 µmol/L
TR:TREATMENT_SUMMARY             	insulin (#I0516; Sigma-Aldrich) for ten days. The medium was then replaced with
TR:TREATMENT_SUMMARY             	high-glucose DMEM supplemented with 10% FCS, 1 % PS, 1 µmol/L rosiglitazone and
TR:TREATMENT_SUMMARY             	0.17 µM insulin, and changed to fresh medium every 2 days until the 20th day.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipid extraction. Lipids were extracted from ASC cells according to a modified
SP:SAMPLEPREP_SUMMARY            	Folch method. Cell pellets were resuspended in 100µl methanol and supplemented
SP:SAMPLEPREP_SUMMARY            	with deuterated internal standards. Lipids were extracted with 1.5 mL chloroform
SP:SAMPLEPREP_SUMMARY            	and 650 µL methanol, sonicated for 15 min. Phase separation was triggered by
SP:SAMPLEPREP_SUMMARY            	addition of 450 µL of ammonium carbonate (250 mM). Lower organic phase was
SP:SAMPLEPREP_SUMMARY            	dried and resuspended in 200 µL of liquid chromatography – mass spectrometry
SP:SAMPLEPREP_SUMMARY            	(LC-MS) solvent.
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Shimadzu 20AD
CH:COLUMN_NAME                   	Phenomenex Kinetex HILIC (150 x 3mm,2.6um)
CH:COLUMN_TEMPERATURE            	45
CH:FLOW_GRADIENT                 	-
CH:FLOW_RATE                     	300ul/min
CH:SOLVENT_A                     	100% water; 0.2% acetic acid; 30mM ammonium acetate
CH:SOLVENT_B                     	100% acetonitrile; 0.2% acetic acid
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 4000 QTrap
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	MRM acquisition of narrow chromatographic peaks of abundant phospho- and
MS:MS_COMMENTS                   	sphingolipid classes: PC and SM following 20-fold dilution This acquisition is
MS:MS_COMMENTS                   	referred to as "short_20x"
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	mol% of total lipids
MS_METABOLITE_DATA_START
Samples	ADH1B_KO_01_LIP329	ADH1B_KO_02_LIP329	ADH1B_KO_03_LIP329	ADH1B_KO_04_LIP329	ADH1B_KO_05_LIP329	CTL_01_LIP329	CTL_02_LIP329	CTL_03_LIP329	CTL_04_LIP329	CTL_05_LIP329
Factors	Genotype:ADH1B_KO	Genotype:ADH1B_KO	Genotype:ADH1B_KO	Genotype:ADH1B_KO	Genotype:ADH1B_KO	Genotype:CTL	Genotype:CTL	Genotype:CTL	Genotype:CTL	Genotype:CTL	
PC(30:0)	0.9228	0.9095	0.8767	1.0396	0.8798	1.1416	1.1412	1.1482	1.1576	1.1759
PC(30:1)	0.4126	0.3531	0.3726	0.4991	0.3812	0.5572	0.5088	0.5343	0.5722	0.5990
PC(30:2)	0.0319	0.0290	0.0303	0.0360	0.0308	0.0430	0.0414	0.0418	0.0428	0.0437
PC(32:0)	8.2624	6.9040	8.0795	9.6651	8.5243	10.7702	11.6781	11.8228	10.0626	12.2961
PC(32:1)	13.7520	14.1381	14.0546	14.9468	12.6068	13.5749	14.2098	13.7453	12.5730	15.0181
PC(34:0)	1.2892	1.2946	1.1996	1.3344	1.0969	1.7936	1.4197	1.4265	1.5262	1.8152
PC(34:1)	7.1451	7.1913	6.8809	6.5467	6.7652	4.9543	5.4340	5.5805	5.1843	5.5911
PC(34:2)	1.3135	1.2098	1.1563	1.4409	1.1551	1.4020	1.4231	1.5539	1.4257	1.6526
PC(34:3)	0.1404	0.1266	0.1273	0.1439	0.1180	0.1547	0.1657	0.1720	0.1445	0.1858
PC(36:0)	0.1270	0.0075	0.0528	0.1217	0.1270	0.1064	0.0584	0.0792	0.0556	0.0574
PC(36:1)	2.0814	2.2808	2.4651	2.2978	2.0926	1.3146	1.4303	1.3544	1.2599	1.5131
PC(36:2)	1.8107	1.7663	1.8407	1.9376	1.5485	2.2898	2.3086	2.4414	2.2270	2.6051
PC(36:3)	0.5558	0.5497	0.5745	0.6478	0.5046	0.6440	0.6448	0.6324	0.5913	0.6885
PC(36:4)	1.3726	1.2487	1.4160	1.4915	1.2375	0.8299	0.7841	0.7652	0.7520	0.8892
PC(36:5)	0.1823	0.1768	0.1718	0.2339	0.1721	0.1937	0.1812	0.1721	0.1835	0.2161
PC(36:6)	0.0252	0.0273	0.0249	0.0313	0.0269	0.0339	0.0332	0.0300	0.0311	0.0346
PC(38:2)	0.0968	0.0938	0.0926	0.1109	0.0847	0.1394	0.1520	0.1528	0.1391	0.1463
PC(38:3)	0.4154	0.4386	0.4402	0.4789	0.4067	0.3628	0.3265	0.3233	0.3058	0.3885
PC(38:4)	1.5657	1.6945	1.6095	1.8081	1.4816	1.0414	1.0026	0.8601	0.9229	1.0357
PC(38:5)	0.9524	0.9317	0.9471	1.1381	0.8169	1.0682	0.9996	0.8955	0.9923	1.1090
PC(38:6)	0.2109	0.2139	0.1880	0.2585	0.1701	0.2856	0.2493	0.2526	0.2498	0.2886
PC(40:4)	0.1490	0.1378	0.1484	0.1693	0.1483	0.1516	0.1456	0.1386	0.1403	0.1489
PC(40:5)	0.3478	0.3475	0.3573	0.3877	0.3469	0.3674	0.3723	0.3540	0.3592	0.3843
PC(40:6)	0.3730	0.3467	0.3761	0.4432	0.3660	0.4420	0.4366	0.4140	0.4347	0.4462
PC(40:7)	0.1118	0.0965	0.1033	0.1372	0.1026	0.1742	0.1720	0.1643	0.1690	0.1902
PC(40:8)	0.0228	0.0207	0.0199	0.0271	0.0216	0.0250	0.0238	0.0230	0.0242	0.0254
PC O-32:0	1.5079	1.4274	1.4550	1.6660	1.5382	1.9650	1.8302	1.8848	1.8189	1.9023
PC O-32:1/PC P-32:0	0.3138	0.2770	0.3046	0.3357	0.3089	0.3692	0.3452	0.3585	0.3550	0.3676
PC O-34:2/PC P-34:1	0.2129	0.2019	0.2084	0.2208	0.2045	0.2440	0.2561	0.2593	0.2487	0.2644
PC O-34:3/PC P-34:2	0.0168	0.0153	0.0166	0.0187	0.0152	0.0180	0.0185	0.0191	0.0184	0.0183
PC O-36:0	0.2336	0.2526	0.2420	0.2512	0.2463	0.2600	0.2490	0.2461	0.2506	0.2507
PC O-36:2	0.2785	0.2804	0.2740	0.2756	0.2644	0.3777	0.3895	0.4156	0.3971	0.4072
PC O-36:3/PC P-36:2	0.0620	0.0583	0.0594	0.0641	0.0565	0.0777	0.0815	0.0836	0.0812	0.0863
PC O-36:4/PC P-36:3	0.1190	0.1110	0.1090	0.1221	0.1068	0.1192	0.1254	0.1249	0.1231	0.1279
PC O-36:5/PC P-36:4	0.1982	0.1837	0.1942	0.2577	0.1834	0.1126	0.1057	0.0940	0.1007	0.1060
PC O-38:5/PC P-38:4	0.2044	0.1941	0.1964	0.2390	0.1877	0.2554	0.2667	0.2560	0.2478	0.2710
PC O-38:6/PC P-38:5	0.1415	0.1239	0.1383	0.1884	0.1321	0.1614	0.1560	0.1407	0.1510	0.1660
PC O-40:5/PC P-40:4	0.0904	0.0868	0.0924	0.1091	0.0848	0.1262	0.1241	0.1197	0.1212	0.1319
PC O-40:6/PC P-40:5	0.0666	0.0638	0.0643	0.0742	0.0602	0.0973	0.1015	0.1015	0.0982	0.1109
PC P-38:6	0.2915	0.3028	0.2913	0.3005	0.3011	0.2118	0.2122	0.2135	0.2099	0.2162
PC P-40:6	0.0437	0.0404	0.0473	0.0677	0.0440	0.0932	0.0893	0.0847	0.0870	0.1007
SM(31:0)	0.0028	0.0028	0.0026	0.0028	0.0023	0.0028	0.0028	0.0026	0.0025	0.0029
SM(32:0)	0.0139	0.0126	0.0132	0.0136	0.0117	0.0322	0.0323	0.0305	0.0307	0.0350
SM(32:1)	0.1072	0.0926	0.0909	0.1123	0.0920	0.1276	0.1127	0.1078	0.1131	0.1242
SM(32:2)	0.0034	0.0031	0.0030	0.0036	0.0032	0.0032	0.0026	0.0025	0.0028	0.0029
SM(33:0)	0.0196	0.0169	0.0165	0.0203	0.0168	0.0244	0.0226	0.0215	0.0224	0.0241
SM(34:0)	0.3346	0.3284	0.2374	0.2785	0.2334	0.6735	0.7751	0.7127	0.6631	0.7237
SM(34:1)	2.8767	2.4499	2.3535	2.8101	2.6881	2.7062	2.6952	2.6681	2.4523	2.8185
SM(34:2)	0.2143	0.1828	0.1615	0.1923	0.1818	0.1427	0.1402	0.1271	0.1335	0.1335
SM(35:0)	0.0452	0.0423	0.0388	0.0425	0.0413	0.0718	0.0758	0.0687	0.0677	0.0786
SM(35:1)	0.3050	0.2654	0.2800	0.2904	0.2662	0.3029	0.2996	0.2674	0.2770	0.3060
SM(36:0)	0.0328	0.0249	0.0314	0.0329	0.0323	0.0593	0.0693	0.0615	0.0602	0.0691
SM(36:1)	0.5151	0.4686	0.4812	0.4888	0.4747	0.3609	0.3603	0.3507	0.3419	0.3759
SM(36:2)	0.0927	0.0825	0.0818	0.0953	0.0770	0.0523	0.0483	0.0452	0.0480	0.0514
SM(37:1)	0.0188	0.0171	0.0177	0.0204	0.0181	0.0250	0.0242	0.0236	0.0241	0.0254
SM(38:0)	0.0295	0.0176	0.0217	0.0255	0.0295	0.0454	0.0431	0.0377	0.0378	0.0445
SM(38:1)	0.0669	0.0647	0.0645	0.0771	0.0739	0.1250	0.1283	0.1221	0.1242	0.1239
SM(38:2)	0.0172	0.0166	0.0156	0.0190	0.0168	0.0259	0.0238	0.0228	0.0254	0.0246
SM(39:1)	0.0292	0.0262	0.0288	0.0339	0.0329	0.0383	0.0361	0.0320	0.0326	0.0350
SM(40:0)	0.0281	0.0227	0.0226	0.0263	0.0294	0.0623	0.0633	0.0567	0.0557	0.0617
SM(40:1)	0.3206	0.3008	0.3378	0.3527	0.3698	0.5801	0.5604	0.5647	0.5294	0.5711
SM(40:2)	0.1131	0.1044	0.1128	0.1313	0.1169	0.1638	0.1602	0.1505	0.1467	0.1602
SM(41:1)	0.1015	0.0930	0.1085	0.1241	0.1271	0.1781	0.1771	0.1602	0.1524	0.1686
SM(41:2)	0.0921	0.0862	0.0899	0.1073	0.0884	0.1816	0.1838	0.1651	0.1719	0.1755
SM(42:0)	0.0234	0.0268	0.0113	0.0137	0.0102	0.0355	0.0360	0.0148	0.0258	0.0339
SM(42:1)	0.1397	0.1675	0.2047	0.2436	0.3017	0.6471	0.6143	0.6422	0.6026	0.6230
SM(42:2)	0.4921	0.5262	0.4695	0.5575	0.4559	1.3267	1.3026	1.0874	1.3430	1.4070
SM(42:3)	0.0965	0.1003	0.1139	0.1233	0.1191	0.3393	0.2885	0.2708	0.2760	0.2903
SM(42:4)	0.0226	0.0284	0.0236	0.0211	0.0208	0.0487	0.0412	0.0356	0.0501	0.0462
SM(43:1)	0.0265	0.0256	0.0270	0.0302	0.0311	0.0685	0.0703	0.0609	0.0610	0.0666
SM(43:2)	0.0287	0.0292	0.0319	0.0384	0.0319	0.1118	0.1089	0.0970	0.0995	0.1134
SM(44:1)	0.0063	0.0061	0.0072	0.0092	0.0081	0.0261	0.0250	0.0217	0.0243	0.0247
SM(44:2)	0.0123	0.0125	0.0126	0.0155	0.0147	0.0590	0.0636	0.0549	0.0561	0.0638
SM(44:3)	0.0077	0.0073	0.0072	0.0094	0.0081	0.0381	0.0381	0.0322	0.0349	0.0406
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
PC(30:0)						8.71			
PC(30:1)						8.67			
PC(30:2)						8.61			
PC(32:0)						8.64			
PC(32:1)						8.62			
PC(34:0)						8.58			
PC(34:1)						8.56			
PC(34:2)						8.51			
PC(34:3)						8.52			
PC(36:0)						8.45			
PC(36:1)						8.45			
PC(36:2)						8.44			
PC(36:3)						8.44			
PC(36:4)						8.37			
PC(36:5)						8.4			
PC(36:6)						8.41			
PC(38:2)						8.4			
PC(38:3)						8.39			
PC(38:4)						8.32			
PC(38:5)						8.33			
PC(38:6)						8.34			
PC(40:4)						8.32			
PC(40:5)						8.32			
PC(40:6)						8.29			
PC(40:7)						8.28			
PC(40:8)						8.28			
PC O-32:0						8.68			
PC O-32:1/PC P-32:0						8.62			
PC O-34:2/PC P-34:1						8.51			
PC O-34:3/PC P-34:2						8.45			
PC O-36:0						8.56			
PC O-36:2						8.47			
PC O-36:3/PC P-36:2						8.48			
PC O-36:4/PC P-36:3						8.43			
PC O-36:5/PC P-36:4						8.3			
PC O-38:5/PC P-38:4						8.36			
PC O-38:6/PC P-38:5						8.27			
PC O-40:5/PC P-40:4						8.36			
PC O-40:6/PC P-40:5						8.33			
PC P-38:6						8.46			
PC P-40:6						8.26			
SM(31:0)						9.34			
SM(32:0)						9.28			
SM(32:1)						9.31			
SM(32:2)						9.34			
SM(33:0)						9.26			
SM(34:0)						9.22			
SM(34:1)						9.23			
SM(34:2)						9.27			
SM(35:0)						9.18			
SM(35:1)						9.2			
SM(36:0)						9.16			
SM(36:1)						9.18			
SM(36:2)						9.18			
SM(37:1)						9.16			
SM(38:0)						9.09			
SM(38:1)						9.12			
SM(38:2)						9.13			
SM(39:1)						9.14			
SM(40:0)						9.04			
SM(40:1)						9.13			
SM(40:2)						9.09			
SM(41:1)						9.04			
SM(41:2)						9.06			
SM(42:0)						9.01			
SM(42:1)						9.04			
SM(42:2)						9.04			
SM(42:3)						9.04			
SM(42:4)						9.05			
SM(43:1)						9.02			
SM(43:2)						9			
SM(44:1)						8.99			
SM(44:2)						8.98			
SM(44:3)						8.97			
METABOLITES_END
#END