#METABOLOMICS WORKBENCH YohkoYoshida_20211014_002125_mwtab.txt DATATRACK_ID:2890 STUDY_ID:ST001960 ANALYSIS_ID:AN003195 PROJECT_ID:PR001247
VERSION             	1
CREATED_ON             	October 14, 2021, 12:43 am
#PROJECT
PR:PROJECT_TITLE                 	Lipidomics of brown adipocytes treated with d9-choline
PR:PROJECT_TYPE                  	targeted LC-QTOF/MS lipidomic profiling
PR:PROJECT_SUMMARY               	Brown adipose tissue (BAT) was initially characterised as a thermogenic organ,
PR:PROJECT_SUMMARY               	and recent studies have suggested it plays a crucial role in maintaining
PR:PROJECT_SUMMARY               	systemic metabolic health. In this project, we demonstrated that alteration of
PR:PROJECT_SUMMARY               	BAT function contributes to development of heart failure through disorientation
PR:PROJECT_SUMMARY               	in choline metabolism. To analyze the detail effect of choline accumulation on
PR:PROJECT_SUMMARY               	brown adipocytes, we conducted the LC-QTOF/MS analysis using cultured brown
PR:PROJECT_SUMMARY               	adipocytes treated with d9-choline. In brown adipocytes treated with d9-choline,
PR:PROJECT_SUMMARY               	we found increase of phosphatidylcholine and lysophosphatidylcholine, suggesting
PR:PROJECT_SUMMARY               	that choline was metabolized in healthy brown adipocytes.
PR:INSTITUTE                     	Juntendo University
PR:DEPARTMENT                    	Department of Cardiovascular Biology and Medicine
PR:LAST_NAME                     	Yoshida
PR:FIRST_NAME                    	Yohko
PR:ADDRESS                       	2-1-1, Hongo, Bunkyo-ku, Tokyo, Tokyo, 1138421, Japan
PR:EMAIL                         	yohko105@yahoo.co.jp
PR:PHONE                         	+81-3-3813-3111
#STUDY
ST:STUDY_TITLE                   	Lipidomics of brown adipocytes treated with d9-choline
ST:STUDY_TYPE                    	targeted LC-QTOF/MS lipidomic profiling
ST:STUDY_SUMMARY                 	Brown adipose tissue (BAT) was initially characterised as a thermogenic organ,
ST:STUDY_SUMMARY                 	and recent studies have suggested it plays a crucial role in maintaining
ST:STUDY_SUMMARY                 	systemic metabolic health. In this project, we demonstrated that alteration of
ST:STUDY_SUMMARY                 	BAT function contributes to development of heart failure through disorientation
ST:STUDY_SUMMARY                 	in choline metabolism. To analyze the detail effect of choline accumulation on
ST:STUDY_SUMMARY                 	brown adipocytes, we conducted the LC-QTOF/MS analysis using cultured brown
ST:STUDY_SUMMARY                 	adipocytes treated with d9-choline. In brown adipocytes treated with d9-choline,
ST:STUDY_SUMMARY                 	we found increase of phosphatidylcholine and lysophosphatidylcholine, suggesting
ST:STUDY_SUMMARY                 	that choline was metabolized in healthy brown adipocytes.
ST:INSTITUTE                     	Juntendo University
ST:DEPARTMENT                    	Department of Cardiovascular Biology and Medicine
ST:LAST_NAME                     	Yoshida
ST:FIRST_NAME                    	Yohko
ST:ADDRESS                       	2-1-1, Hongo, Bunkyo-ku, Tokyo, Tokyo, 1138421, Japan
ST:EMAIL                         	yohko105@yahoo.co.jp
ST:PHONE                         	+81-3-3813-3111
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENDER                        	Not applicable
#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           	-	Cont-1	Sample detail:cultured brown adipocytes treated without d9-choline	RAW_FILE_NAME=TSOGA022_n_20171129_Cont-1.d
SUBJECT_SAMPLE_FACTORS           	-	Cont-2	Sample detail:cultured brown adipocytes treated without d9-choline	RAW_FILE_NAME=TSOGA022_n_20171129_Cont-2.d
SUBJECT_SAMPLE_FACTORS           	-	Cont-3	Sample detail:cultured brown adipocytes treated without d9-choline	RAW_FILE_NAME=TSOGA022_n_20171129_Cont-3.d
SUBJECT_SAMPLE_FACTORS           	-	Cont-4	Sample detail:cultured brown adipocytes treated without d9-choline	RAW_FILE_NAME=TSOGA022_n_20171129_Cont-4.d
SUBJECT_SAMPLE_FACTORS           	-	1H-1	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 1hr	RAW_FILE_NAME=TSOGA022_n_20171129_1H-1.d
SUBJECT_SAMPLE_FACTORS           	-	1H-2	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 1hr	RAW_FILE_NAME=TSOGA022_n_20171129_1H-2.d
SUBJECT_SAMPLE_FACTORS           	-	1H-3	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 1hr	RAW_FILE_NAME=TSOGA022_n_20171129_1H-3.d
SUBJECT_SAMPLE_FACTORS           	-	1H-4	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 1hr	RAW_FILE_NAME=TSOGA022_n_20171129_1H-4.d
SUBJECT_SAMPLE_FACTORS           	-	6H-1	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 6hrs	RAW_FILE_NAME=TSOGA022_n_20171129_6H-1.d
SUBJECT_SAMPLE_FACTORS           	-	6H-2	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 6hrs	RAW_FILE_NAME=TSOGA022_n_20171129_6H-2.d
SUBJECT_SAMPLE_FACTORS           	-	6H-3	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 6hrs	RAW_FILE_NAME=TSOGA022_n_20171129_6H-3.d
SUBJECT_SAMPLE_FACTORS           	-	6H-4	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 6hrs	RAW_FILE_NAME=TSOGA022_n_20171129_6H-4.d
SUBJECT_SAMPLE_FACTORS           	-	24H-1	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 24hrs	RAW_FILE_NAME=TSOGA022_n_20171129_24H-1.d
SUBJECT_SAMPLE_FACTORS           	-	24H-2	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 24hrs	RAW_FILE_NAME=TSOGA022_n_20171129_24H-2.d
SUBJECT_SAMPLE_FACTORS           	-	24H-3	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 24hrs	RAW_FILE_NAME=TSOGA022_n_20171129_24H-3.d
SUBJECT_SAMPLE_FACTORS           	-	24H-4	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 24hrs	RAW_FILE_NAME=TSOGA022_n_20171129_24H-4.d
#COLLECTION
CO:COLLECTION_SUMMARY            	Cells were harvested at the indicated time points and washed three times with
CO:COLLECTION_SUMMARY            	ice cold 5% mannitol.
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Fully differentiated cultured brown adipocytes were treated with or without 1mM
TR:TREATMENT_SUMMARY             	of d9-choline for 1, 6 or 24 hours.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipids were extracted using a methanol–chloroform–water extraction method.
SP:SAMPLEPREP_SUMMARY            	The methanol used contained 25 μM each of methionine sulfone and
SP:SAMPLEPREP_SUMMARY            	D-camphor-10-sulphonic acid and 10 μM each of
SP:SAMPLEPREP_SUMMARY            	1,2-dimyristoyl(d54)-sn-glycero-3-phosphocholine and
SP:SAMPLEPREP_SUMMARY            	1,2-dihexanoyl(d22)-sn-glycero-3-phosphocholine.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	None (Direct infusion)
CH:INSTRUMENT_NAME               	none
CH:COLUMN_NAME                   	none
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6530 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Mass spectra were acquired at the rate of 1.5 cycles /sec over an mass range
MS:MS_COMMENTS                   	of m/z100–1,700. The reference masses of reference standards were
MS:MS_COMMENTS                   	121.050873(Purine) and 922.009798(HP-0921) for positive ion mode, and
MS:MS_COMMENTS                   	112.985587(TFA) and 1033.988109(HP-0921+TFA) for negative ion mode. Raw data
MS:MS_COMMENTS                   	from LC–TOFMS were processed using Master Hands ver. 2.17.0.8 software for the
MS:MS_COMMENTS                   	quantification of lipids.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	fmol/cell
MS_METABOLITE_DATA_START
Samples	Cont-1	Cont-2	Cont-3	Cont-4	1H-1	1H-2	1H-3	1H-4	6H-1	6H-2	6H-3	6H-4	24H-1	24H-2	24H-3	24H-4
Factors	Sample detail:cultured brown adipocytes treated without d9-choline	Sample detail:cultured brown adipocytes treated without d9-choline	Sample detail:cultured brown adipocytes treated without d9-choline	Sample detail:cultured brown adipocytes treated without d9-choline	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 1hr	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 1hr	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 1hr	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 1hr	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 6hrs	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 6hrs	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 6hrs	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 6hrs	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 24hrs	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 24hrs	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 24hrs	Sample detail:cultured brown adipocytes treated with 1mM of d9-choline for 24hrs
DG(30:0)-1	0.020	0.018	0.019	0.019	0.041	0.022	0.026	0.025	0.025	0.020	0.022	0.022	0.024	0.018	0.018	0.021
DG(30:0)-2	0.010	0.006	0.007	0.008	0.020	0.011	0.009	0.010	0.014	0.012	0.010	0.012	0.016	0.009	0.008	0.009
DG(32:0)	0.230	0.133	0.151	0.166	0.523	0.213	0.199	0.232	0.282	0.210	0.193	0.247	0.352	0.192	0.168	0.179
DG(32:1)	0.750	0.434	0.490	0.499	1.166	0.709	0.459	0.780	0.961	0.686	0.606	0.753	1.105	0.571	0.472	0.489
DG(34:0)	0.029	0.025	0.025	0.028	0.068	0.030	0.035	0.031	0.033	0.028	0.030	0.031	0.040	0.027	0.027	0.031
DG(34:1)	0.728	0.472	0.536	0.551	1.279	0.754	0.643	0.798	0.904	0.673	0.655	0.762	1.073	0.622	0.555	0.577
DG(34:2)	0.724	0.425	0.485	0.496	1.107	0.690	0.485	0.787	0.899	0.636	0.580	0.688	1.070	0.548	0.468	0.496
DG(36:0)	0.009	0.010	0.009	0.010	0.012	0.010	0.009	0.011	0.008	0.008	0.009	0.008	0.009	0.009	0.010	0.011
DG(36:1)	0.072	0.053	0.059	0.059	0.138	0.071	0.101	0.077	0.079	0.065	0.065	0.068	0.092	0.062	0.062	0.063
DG(36:2)	0.359	0.270	0.290	0.290	0.601	0.365	0.417	0.387	0.401	0.330	0.322	0.344	0.470	0.319	0.305	0.304
DG(36:3)	0.035	0.026	0.029	0.028	0.068	0.035	0.045	0.038	0.041	0.032	0.030	0.033	0.051	0.032	0.029	0.032
LysoPC(14:0)	0.018	0.017	0.019	0.018	0.015	0.015	0.014	0.017	0.017	0.014	0.015	0.014	0.014	0.012	0.011	0.010
LysoPC(14:0)_d9	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.002	N.D.	N.D.	0.002	0.007	0.006	0.005	0.006
LysoPC(16:0) sn1	1.585	1.527	1.625	1.514	1.299	1.365	1.290	1.510	1.515	1.320	1.410	1.280	1.209	1.067	0.992	0.952
LysoPC(16:0) sn1_d9	N.D.	N.D.	N.D.	N.D.	0.024	0.024	0.020	0.023	0.125	0.108	0.107	0.102	0.555	0.489	0.439	0.467
LysoPC(16:0) sn2	0.093	0.093	0.096	0.092	0.073	0.084	0.080	0.092	0.092	0.079	0.087	0.079	0.078	0.070	0.066	0.060
LysoPC(16:0) sn2_d9	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.006	0.006	0.005	0.005	0.026	0.027	0.022	0.024
LysoPC(16:1) sn1	0.122	0.110	0.112	0.108	0.096	0.105	0.107	0.114	0.100	0.100	0.098	0.092	0.071	0.068	0.070	0.063
LysoPC(16:1) sn1_d9	N.D.	N.D.	N.D.	N.D.	0.003	0.003	N.D.	0.003	0.015	0.015	0.014	0.013	0.049	0.047	0.048	0.046
LysoPC(16:1) sn2	0.098	0.099	0.102	0.097	0.088	0.089	0.098	0.098	0.091	0.091	0.090	0.075	0.055	0.059	0.056	0.054
LysoPC(16:1) sn2_d9	N.D.	N.D.	N.D.	N.D.	0.002	N.D.	N.D.	0.002	0.013	0.014	0.012	0.011	0.044	0.048	0.044	0.046
LysoPC(18:0) sn1	1.520	1.439	1.584	1.456	1.339	1.358	1.256	1.505	1.554	1.316	1.432	1.313	1.413	1.223	1.150	1.137
LysoPC(18:0) sn1_d9	0.001	0.003	0.001	0.001	0.006	0.006	0.005	0.007	0.049	0.045	0.042	0.031	0.304	0.281	0.259	0.269
LysoPC(18:0) sn2	0.082	0.080	0.085	0.080	0.070	0.077	0.072	0.083	0.089	0.077	0.083	0.074	0.077	0.072	0.066	0.069
LysoPC(18:0) sn2_d9	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.002	N.D.	N.D.	N.D.	0.014	0.012	0.012	0.011
LysoPC(18:1) sn1	0.324	0.312	0.335	0.303	0.279	0.302	0.280	0.327	0.317	0.287	0.310	0.278	0.264	0.233	0.223	0.214
LysoPC(18:1) sn1_d9	N.D.	N.D.	N.D.	N.D.	0.002	0.003	N.D.	0.002	0.017	0.016	0.016	0.016	0.085	0.080	0.078	0.077
LysoPC(18:1) sn2	0.136	0.138	0.152	0.142	0.119	0.125	0.130	0.145	0.132	0.123	0.125	0.107	0.091	0.091	0.086	0.086
LysoPC(18:1) sn2_d9	N.D.	N.D.	N.D.	N.D.	0.002	0.002	N.D.	0.003	0.016	0.016	0.016	0.013	0.056	0.057	0.053	0.056
LysoPC(20:4) sn1	0.005	0.005	0.005	0.005	0.005	0.005	0.004	0.005	0.005	0.004	0.004	0.004	0.005	0.004	0.005	0.004
LysoPC(20:4) sn2	0.004	0.005	0.004	0.004	0.004	0.004	0.004	0.005	0.004	0.004	0.004	0.004	0.004	0.003	0.003	0.003
MG(16:0)	0.048	0.043	0.046	0.049	0.048	0.048	0.048	0.051	0.048	0.045	0.046	0.040	0.051	0.043	0.046	0.047
MG(18:0)	0.039	0.037	0.042	0.044	0.044	0.043	0.040	0.042	0.041	0.038	0.040	0.037	0.043	0.037	0.040	0.042
MG(18:1)	0.028	0.028	0.026	0.026	0.027	0.030	0.038	0.032	0.030	0.029	0.027	0.024	0.029	0.028	0.031	0.030
PC(30:0)	2.520	1.787	2.181	2.182	1.957	2.111	1.056	2.483	2.503	1.969	2.024	1.919	1.859	1.335	1.157	1.273
PC(30:0)_d9	N.D.	N.D.	N.D.	N.D.	0.107	0.113	0.058	0.128	0.497	0.396	0.375	0.380	1.531	1.096	0.934	1.030
PC(30:1)	2.541	2.049	2.433	2.388	2.130	2.277	1.480	2.640	2.389	1.996	2.116	1.927	1.706	1.300	1.156	1.247
PC(30:1)_d9	N.D.	N.D.	N.D.	N.D.	0.101	0.108	0.067	0.118	0.548	0.449	0.448	0.428	1.678	1.286	1.124	1.244
PC(32:0)	4.438	2.398	3.085	3.170	3.309	3.445	1.379	3.998	4.704	3.236	3.065	3.432	3.722	2.217	1.824	2.047
PC(32:0)_d9	N.D.	N.D.	N.D.	N.D.	0.291	0.283	0.118	0.329	0.980	0.646	0.584	0.637	2.809	1.669	1.335	1.538
PC(32:1)	54.817	47.339	51.216	52.235	51.463	51.378	35.837	54.595	52.040	46.056	47.014	47.068	35.849	30.682	28.359	29.463
PC(32:1)_d9	0.072	0.075	N.D.	N.D.	1.210	1.215	0.742	1.266	8.651	7.389	7.105	7.386	26.467	22.573	20.775	22.454
PC(32:2)	14.534	12.207	13.715	13.685	13.076	13.298	9.486	14.760	13.050	11.259	11.599	10.981	8.366	6.799	6.230	6.465
PC(32:2)_d9	0.017	0.018	0.012	N.D.	0.555	0.579	0.372	0.640	3.761	3.241	3.082	3.022	9.989	8.123	7.326	7.820
PC(34:1)	70.231	50.940	60.023	59.603	62.446	62.577	34.557	68.541	70.888	57.463	57.535	60.793	55.284	41.523	36.182	38.017
PC(34:1)_d9	N.D.	N.D.	N.D.	N.D.	1.042	1.060	0.512	1.078	8.766	7.009	6.293	7.186	33.283	25.530	22.188	23.910
PC(34:2)	29.949	25.548	29.054	28.916	28.045	28.492	19.399	31.294	29.287	25.298	26.258	25.365	20.713	17.199	15.848	16.693
PC(34:2)_d9	N.D.	N.D.	N.D.	N.D.	0.723	0.747	0.483	0.808	4.977	4.415	4.133	4.181	16.416	13.941	12.677	13.477
PC(34:3)	0.821	0.651	0.744	0.723	0.675	0.711	0.475	0.806	0.723	0.633	0.610	0.569	0.450	0.369	0.328	0.363
PC(34:3)_d9	N.D.	N.D.	N.D.	N.D.	N.D.	0.023	0.016	0.025	0.146	0.124	0.111	0.107	0.437	0.351	0.311	0.322
PC(36:1)	24.422	11.916	16.351	15.982	18.184	18.600	7.482	21.970	28.361	17.538	17.309	20.105	27.138	13.705	10.870	11.768
PC(36:1)_d9	N.D.	N.D.	N.D.	N.D.	0.131	0.136	0.049	0.151	1.885	1.194	0.933	1.175	12.961	6.383	4.904	5.660
PC(36:2)	24.312	16.494	20.100	19.631	20.681	21.491	10.655	23.839	25.546	19.495	19.477	20.389	20.729	13.986	12.043	12.769
PC(36:2)_d9	N.D.	N.D.	N.D.	N.D.	0.251	0.262	N.D.	0.294	2.513	1.883	1.782	1.917	12.021	7.976	6.778	7.401
PC(36:3)	2.926	2.065	2.455	2.362	2.405	2.678	1.329	3.040	3.074	2.367	2.224	2.421	2.449	1.688	1.363	1.419
PC(36:3)_d9	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.365	0.272	0.256	0.266	1.501	0.977	0.833	0.823
PC(36:4)	3.493	2.653	3.027	2.989	3.110	3.119	1.972	3.430	3.378	2.883	2.759	2.913	2.623	2.023	1.826	1.881
PC(36:4)_d9	N.D.	N.D.	N.D.	N.D.	0.062	0.061	0.032	0.063	0.387	0.332	0.293	0.317	1.446	1.097	0.972	1.021
PC(36:5)	0.806	0.661	0.750	0.728	0.726	0.746	0.508	0.849	0.766	0.603	0.648	0.630	0.507	0.372	0.343	0.376
PC(36:5)_d9	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.133	0.113	0.102	0.106	0.382	0.284	0.247	0.269
PC(38:3)	0.746	0.376	0.508	0.487	0.602	0.610	0.250	0.699	0.960	0.570	0.551	0.620	1.000	0.446	0.344	0.366
PC(38:3)_d9	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.065	0.042	0.034	0.039	0.251	0.124	0.096	0.113
PC(38:4)	2.376	1.416	1.717	1.708	2.025	1.985	0.907	2.273	2.570	1.930	1.787	2.074	2.534	1.518	1.254	1.293
PC(38:4)_d9	N.D.	N.D.	N.D.	N.D.	0.019	0.020	N.D.	0.024	0.123	0.098	0.077	0.091	0.575	0.367	0.292	0.320
PC(38:5)-1	1.908	1.371	1.619	1.557	1.649	1.687	0.878	1.908	2.040	1.568	1.530	1.633	1.744	1.175	1.027	1.060
PC(38:5)-1_d9	N.D.	N.D.	N.D.	N.D.	0.035	0.035	0.020	0.044	0.161	0.133	0.113	0.124	0.648	0.449	0.380	0.401
PC(38:5)-2	2.595	2.364	2.681	2.631	2.591	2.622	1.876	2.735	2.453	2.317	2.459	2.331	1.596	1.579	1.506	1.606
PC(38:5)-2_d9	N.D.	N.D.	N.D.	N.D.	0.040	0.037	0.028	0.039	0.210	0.202	0.204	0.190	0.812	0.813	0.770	0.830
PE(32:1)	1.926	1.102	1.446	1.473	1.931	1.833	0.867	2.008	3.122	1.690	1.791	2.051	4.487	1.733	1.589	1.789
PE(32:2)	2.284	1.619	1.928	1.907	2.041	1.980	1.263	2.171	2.555	2.153	2.047	2.026	2.936	2.148	1.915	2.072
PE(34:1)	2.606	1.504	1.802	1.820	2.741	2.416	1.488	2.612	3.808	2.230	2.345	2.654	5.164	2.229	2.122	2.447
PE(34:2)	4.361	2.628	3.458	3.517	4.048	4.093	2.299	4.415	5.818	4.168	4.136	4.196	6.972	4.194	3.602	4.153
PE(34:3)	0.219	0.139	0.172	0.168	0.189	0.187	0.117	0.214	0.249	0.206	0.183	0.187	0.285	0.202	0.160	0.193
PE(36:1)	0.934	0.420	0.586	0.558	1.057	0.848	0.509	0.926	1.577	0.827	0.811	0.964	2.419	0.866	0.698	0.805
PE(36:2)	2.500	1.403	1.814	1.878	2.519	2.402	1.346	2.311	3.426	2.346	2.255	2.259	4.933	2.447	2.035	2.317
PE(36:3)	0.519	0.334	0.430	0.413	0.525	0.537	0.279	0.546	0.733	0.503	0.514	0.537	0.861	0.523	0.439	0.526
PE(36:4)	1.385	0.847	1.092	1.087	1.286	1.318	0.726	1.387	1.890	1.277	1.279	1.383	2.296	1.380	1.115	1.275
PE(36:5)	0.596	0.417	0.504	0.495	0.562	0.555	0.348	0.609	0.740	0.574	0.558	0.570	0.828	0.564	0.490	0.526
PE(38:3)	0.193	0.102	0.128	0.132	0.225	0.188	0.106	0.206	0.340	0.193	0.170	0.218	0.501	0.183	0.154	0.183
PE(38:4)	3.107	1.777	2.146	2.211	3.395	3.014	1.741	3.099	4.776	3.013	2.798	3.319	6.138	3.032	2.497	2.764
PE(38:5)	1.828	1.198	1.450	1.452	1.844	1.824	1.088	1.853	2.461	1.829	1.725	1.836	2.902	1.772	1.506	1.689
PE(38:6)	0.225	0.134	0.188	0.182	0.235	0.241	0.132	0.253	0.339	0.239	0.232	0.226	0.412	0.219	0.204	0.240
PE(40:5)	0.172	0.088	0.115	0.111	0.181	0.141	0.091	0.162	0.250	0.138	0.143	0.170	0.331	0.154	0.118	0.151
PE(40:6)	0.360	0.205	0.284	0.264	0.366	0.344	0.192	0.379	0.573	0.341	0.334	0.388	0.736	0.353	0.273	0.333
PE(40:7)	0.476	0.307	0.377	0.382	0.474	0.462	0.263	0.482	0.667	0.464	0.460	0.487	0.822	0.497	0.408	0.437
PG(32:1)	0.128	0.114	0.125	0.122	0.119	0.119	0.097	0.132	0.138	0.134	0.125	0.121	0.176	0.151	0.127	0.133
PG(32:2)	0.289	0.248	0.268	0.265	0.270	0.254	0.257	0.276	0.292	0.285	0.268	0.236	0.287	0.279	0.267	0.260
PG(34:1)	0.770	0.563	0.673	0.679	0.790	0.834	0.510	0.885	1.046	0.842	0.846	0.785	1.146	0.938	0.814	0.870
PG(34:2)	1.278	1.073	1.169	1.150	1.213	1.194	1.012	1.315	1.362	1.286	1.275	1.108	1.435	1.254	1.222	1.175
PG(36:2)	0.990	0.774	0.897	0.864	0.877	0.973	0.724	1.032	1.139	1.052	0.997	0.931	1.258	1.035	0.995	1.033
PI(32:1)	0.658	0.413	0.538	0.571	0.767	0.708	0.432	0.750	0.951	0.777	0.734	0.762	1.036	0.768	0.705	0.778
PI(32:2)	0.202	0.161	0.186	0.175	0.200	0.194	0.147	0.196	0.253	0.213	0.211	0.174	0.234	0.227	0.189	0.211
PI(34:1)	1.172	0.599	0.837	0.928	1.488	1.414	0.622	1.511	2.081	1.476	1.361	1.579	2.420	1.534	1.249	1.406
PI(34:2)	2.801	1.680	2.065	2.348	3.056	2.989	1.732	3.303	3.520	3.144	3.093	3.064	4.256	3.284	2.860	3.155
PI(36:1)	0.309	0.126	0.197	0.230	0.488	0.443	0.149	0.463	0.726	0.427	0.389	0.489	0.926	0.398	0.336	0.411
PI(36:2)	2.787	1.450	2.072	2.274	3.541	3.437	1.473	3.784	5.017	3.569	3.114	3.502	5.884	3.606	2.960	3.487
PI(36:3)	0.598	0.368	0.552	0.555	0.764	0.827	0.383	0.817	1.044	0.781	0.754	0.814	1.135	0.809	0.643	0.765
PI(36:4)	1.008	0.631	0.839	0.827	1.161	1.153	0.610	1.210	1.541	1.186	1.123	1.154	1.699	1.236	1.059	1.138
PI(36:5)	0.166	0.121	0.141	0.147	0.169	0.169	0.115	0.180	0.224	0.181	0.187	0.171	0.237	0.183	0.162	0.181
PI(38:3)	0.474	0.215	0.325	0.375	0.740	0.677	0.266	0.700	1.015	0.658	0.600	0.757	1.244	0.630	0.523	0.615
PI(38:4)	2.333	1.205	1.682	1.918	3.358	3.106	1.315	3.346	4.563	3.197	2.728	3.374	5.310	3.036	2.534	2.911
PI(38:5)	2.064	1.302	1.779	1.847	2.392	2.382	1.240	2.569	3.204	2.458	2.476	2.464	3.341	2.507	2.212	2.460
PI(38:6)	0.251	0.175	0.234	0.223	0.272	0.273	0.187	0.288	0.340	0.278	0.281	0.278	0.375	0.306	0.265	0.277
PS(32:1)	0.057	0.041	0.047	0.052	0.073	0.067	0.048	0.073	0.084	0.070	0.072	0.073	0.087	0.073	0.065	0.072
PS(34:1)	0.334	0.191	0.245	0.283	0.514	0.477	0.267	0.522	0.663	0.517	0.470	0.532	0.778	0.541	0.485	0.539
PS(34:2)	0.066	0.044	0.053	0.056	0.074	0.071	0.052	0.083	0.093	0.081	0.076	0.077	0.103	0.088	0.077	0.082
PS(36:1)	0.167	0.103	0.133	0.154	0.321	0.299	0.172	0.313	0.419	0.300	0.266	0.312	0.484	0.323	0.279	0.296
PS(36:2)	0.122	0.071	0.095	0.106	0.173	0.175	0.097	0.187	0.242	0.182	0.172	0.183	0.284	0.193	0.163	0.185
PS(38:4)	0.153	0.088	0.124	0.140	0.236	0.226	0.126	0.252	0.320	0.227	0.221	0.256	0.381	0.233	0.199	0.212
PS(38:5)	0.046	0.031	0.042	0.042	0.056	0.060	0.036	0.069	0.076	0.059	0.061	0.062	0.091	0.066	0.057	0.062
PS(40:6)	0.172	0.101	0.137	0.153	0.258	0.255	0.136	0.284	0.377	0.263	0.253	0.277	0.432	0.274	0.232	0.254
Sphinganine (d20:0)	0.019	0.021	0.021	0.020	0.023	0.020	0.019	0.028	0.021	0.024	0.025	0.020	0.026	0.021	0.021	0.024
Sphinganine (d22:0)	0.414	0.479	0.448	0.463	0.505	0.429	0.418	0.594	0.475	0.498	0.542	0.457	0.539	0.473	0.434	0.530
Sphingomyelin (d18:1-16:0)	11.517	8.709	10.177	10.131	10.624	10.698	5.601	11.730	13.258	10.696	10.737	10.868	12.459	9.529	8.407	8.974
Sphingomyelin (d18:1-16:0)_d9	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.130	0.103	0.088	0.095	1.957	1.485	1.273	1.413
TG(40:0)	0.006	0.005	0.006	0.004	0.197	0.003	0.039	0.003	0.004	0.004	0.004	0.004	0.013	0.004	0.006	0.004
TG(40:1)	0.047	0.031	0.036	0.031	1.245	0.026	0.235	0.029	0.046	0.029	0.029	0.034	0.115	0.032	0.040	0.028
TG(40:2)	0.049	0.027	0.033	0.027	0.904	0.031	0.166	0.036	0.054	0.030	0.029	0.036	0.122	0.032	0.033	0.025
TG(42:0)	0.014	0.012	0.012	0.009	0.565	0.005	0.115	0.005	0.007	0.008	0.007	0.007	0.027	0.009	0.016	0.007
TG(42:1)	0.030	0.022	0.024	0.017	1.009	0.013	0.203	0.014	0.021	0.018	0.016	0.018	0.062	0.019	0.029	0.016
TG(42:2)	0.024	0.016	0.017	0.014	0.659	0.013	0.135	0.014	0.021	0.015	0.014	0.016	0.051	0.015	0.020	0.013
TG(44:0)	0.067	0.058	0.056	0.043	2.728	0.022	0.594	0.017	0.030	0.038	0.031	0.027	0.135	0.047	0.075	0.039
TG(44:1)	0.104	0.087	0.087	0.063	4.279	0.040	0.894	0.035	0.062	0.062	0.048	0.052	0.209	0.065	0.116	0.056
TG(44:2)	0.061	0.048	0.049	0.037	2.218	0.030	0.489	0.030	0.045	0.040	0.034	0.037	0.129	0.041	0.070	0.034
TG(46:0)	0.251	0.219	0.210	0.152	10.102	0.080	2.542	0.053	0.105	0.133	0.107	0.091	0.531	0.193	0.298	0.143
TG(46:1)	0.655	0.573	0.575	0.460	17.751	0.220	5.193	0.176	0.334	0.376	0.324	0.297	1.284	0.420	0.767	0.404
TG(46:2)	0.294	0.244	0.242	0.177	11.912	0.117	2.642	0.101	0.171	0.184	0.151	0.150	0.598	0.194	0.355	0.168
TG(46:3)	0.068	0.052	0.055	0.041	2.567	0.033	0.596	0.032	0.049	0.046	0.040	0.038	0.150	0.048	0.082	0.043
TG(48:0)	0.640	0.540	0.497	0.379	21.167	0.195	6.521	0.120	0.233	0.326	0.267	0.229	1.352	0.528	0.763	0.358
TG(48:1)	1.851	1.693	1.661	1.332	42.092	0.574	16.263	0.418	0.835	1.028	0.865	0.791	3.686	1.237	2.204	1.132
TG(48:2)	1.619	1.482	1.445	1.167	40.657	0.608	13.923	0.466	0.854	1.007	0.848	0.794	3.156	1.105	2.101	1.120
TG(48:3)	0.329	0.279	0.286	0.208	13.674	0.132	3.126	0.114	0.190	0.210	0.176	0.167	0.696	0.226	0.434	0.204
TG(50:0)	0.200	0.169	0.154	0.125	10.171	0.071	1.946	0.048	0.082	0.112	0.096	0.084	0.401	0.182	0.239	0.126
TG(50:1)	1.731	1.556	1.483	1.161	47.109	0.487	17.021	0.319	0.678	0.890	0.734	0.675	3.477	1.137	1.993	0.964
TG(50:2)	2.349	2.159	2.113	1.735	48.299	0.797	19.562	0.570	1.116	1.347	1.159	1.046	4.519	1.553	2.861	1.609
TG(50:3)	0.778	0.708	0.693	0.545	26.886	0.297	7.454	0.227	0.403	0.482	0.408	0.373	1.558	0.530	1.033	0.541
TG(50:4)	0.034	0.030	0.031	0.024	1.356	0.015	0.291	0.013	0.020	0.022	0.020	0.018	0.068	0.024	0.043	0.025
TG(52:0)	0.042	0.037	0.037	0.034	1.787	0.024	0.309	0.022	0.026	0.031	0.031	0.027	0.076	0.042	0.050	0.040
TG(52:1)	0.361	0.332	0.317	0.243	19.127	0.112	3.892	0.076	0.145	0.195	0.169	0.149	0.751	0.258	0.430	0.210
TG(52:2)	1.385	1.260	1.203	0.970	41.381	0.417	13.634	0.275	0.565	0.753	0.620	0.575	2.770	0.871	1.650	0.860
TG(52:3)	0.785	0.721	0.701	0.569	23.267	0.272	7.255	0.193	0.364	0.457	0.390	0.341	1.539	0.513	0.997	0.566
TG(52:4)	0.050	0.046	0.045	0.036	2.341	0.020	0.505	0.017	0.028	0.033	0.031	0.025	0.099	0.035	0.063	0.038
TG(52:5)	0.015	0.013	0.014	0.012	0.686	0.007	0.148	0.005	0.010	0.011	0.010	0.009	0.028	0.011	0.019	0.011
TG(54:1)	0.057	0.054	0.054	0.045	3.249	0.021	0.562	0.022	0.029	0.039	0.032	0.028	0.111	0.046	0.068	0.039
TG(54:2)	0.204	0.187	0.185	0.142	11.830	0.064	2.208	0.046	0.086	0.116	0.097	0.085	0.406	0.134	0.239	0.123
TG(54:3)	0.354	0.320	0.325	0.259	15.471	0.115	3.719	0.083	0.154	0.200	0.175	0.148	0.711	0.232	0.427	0.245
TG(54:4)	0.045	0.044	0.044	0.036	1.920	0.020	0.449	0.015	0.024	0.031	0.027	0.025	0.093	0.034	0.059	0.036
TG(54:5)	0.025	0.022	0.023	0.020	0.994	0.011	0.242	0.009	0.013	0.017	0.016	0.013	0.047	0.019	0.031	0.022
TG(54:6)	0.020	0.017	0.018	0.015	0.695	0.010	0.154	0.008	0.013	0.012	0.009	0.008	0.028	0.012	0.021	0.017
TG(56:2)	0.033	0.030	0.027	0.020	1.972	0.011	0.330	0.007	0.012	0.019	0.016	0.014	0.061	0.021	0.039	0.019
TG(56:3)	0.037	0.036	0.032	0.027	2.292	0.011	0.389	0.007	0.015	0.020	0.018	0.015	0.074	0.022	0.042	0.021
TG(56:4)	0.018	0.017	0.015	0.014	0.717	0.009	0.136	0.007	0.011	0.011	0.010	0.009	0.031	0.012	0.020	0.013
TG(56:5)	0.012	0.012	0.011	0.010	0.483	0.005	0.117	0.006	0.007	0.007	0.007	0.005	0.023	0.007	0.013	0.007
TG(56:6)	0.010	0.010	0.010	0.008	0.454	0.005	0.095	0.004	0.006	0.008	0.006	0.007	0.019	0.007	0.012	0.007
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Ave m/z
DG(30:0)-1	563.467
DG(30:0)-2	563.467
DG(32:0)	591.499
DG(32:1)	589.484
DG(34:0)	619.529
DG(34:1)	617.516
DG(34:2)	615.500
DG(36:0)	647.564
DG(36:1)	645.556
DG(36:2)	643.535
DG(36:3)	641.512
LysoPC(14:0)	468.311
LysoPC(14:0)_d9	477.368
LysoPC(16:0) sn1	496.345
LysoPC(16:0) sn1_d9	505.399
LysoPC(16:0) sn2	496.343
LysoPC(16:0) sn2_d9	505.399
LysoPC(16:1) sn1	494.327
LysoPC(16:1) sn1_d9	503.383
LysoPC(16:1) sn2	494.327
LysoPC(16:1) sn2_d9	503.383
LysoPC(18:0) sn1	524.376
LysoPC(18:0) sn1_d9	533.430
LysoPC(18:0) sn2	524.374
LysoPC(18:0) sn2_d9	533.426
LysoPC(18:1) sn1	522.356
LysoPC(18:1) sn1_d9	531.414
LysoPC(18:1) sn2	522.356
LysoPC(18:1) sn2_d9	531.414
LysoPC(20:4) sn1	544.343
LysoPC(20:4) sn2	544.342
MG(16:0)	353.269
MG(18:0)	381.299
MG(18:1)	379.283
PC(30:0)	706.545
PC(30:0)_d9	715.597
PC(30:1)	704.524
PC(30:1)_d9	713.582
PC(32:0)	734.575
PC(32:0)_d9	743.624
PC(32:1)	732.565
PC(32:1)_d9	741.618
PC(32:2)	730.542
PC(32:2)_d9	739.600
PC(34:1)	760.596
PC(34:1)_d9	769.647
PC(34:2)	758.575
PC(34:2)_d9	767.631
PC(34:3)	756.556
PC(34:3)_d9	765.614
PC(36:1)	788.620
PC(36:1)_d9	797.677
PC(36:2)	786.607
PC(36:2)_d9	795.659
PC(36:3)	784.590
PC(36:3)_d9	793.644
PC(36:4)	782.573
PC(36:4)_d9	791.631
PC(36:5)	780.556
PC(36:5)_d9	789.607
PC(38:3)	812.621
PC(38:3)_d9	821.678
PC(38:4)	810.607
PC(38:4)_d9	819.661
PC(38:5)-1	808.592
PC(38:5)-1_d9	817.644
PC(38:5)-2	808.590
PC(38:5)-2_d9	817.641
PE(32:1)	688.494
PE(32:2)	686.479
PE(34:1)	716.526
PE(34:2)	714.512
PE(34:3)	712.494
PE(36:1)	744.560
PE(36:2)	742.545
PE(36:3)	740.506
PE(36:4)	738.512
PE(36:5)	736.495
PE(38:3)	768.556
PE(38:4)	766.543
PE(38:5)	764.525
PE(38:6)	762.510
PE(40:5)	792.555
PE(40:6)	790.545
PE(40:7)	788.525
PG(32:1)	719.486
PG(32:2)	717.472
PG(34:1)	747.517
PG(34:2)	745.506
PG(36:2)	773.539
PI(32:1)	807.506
PI(32:2)	805.489
PI(34:1)	835.538
PI(34:2)	833.525
PI(36:1)	863.571
PI(36:2)	861.553
PI(36:3)	859.535
PI(36:4)	857.523
PI(36:5)	855.502
PI(38:3)	887.568
PI(38:4)	885.554
PI(38:5)	883.540
PI(38:6)	881.515
PS(32:1)	734.497
PS(34:1)	762.532
PS(34:2)	760.513
PS(36:1)	790.564
PS(36:2)	788.546
PS(38:4)	812.545
PS(38:5)	810.529
PS(40:6)	836.547
Sphinganine (d20:0)	330.339
Sphinganine (d22:0)	358.371
Sphingomyelin (d18:1-16:0)	703.583
Sphingomyelin (d18:1-16:0)_d9	712.635
TG(40:0)	712.646
TG(40:1)	710.633
TG(40:2)	708.619
TG(42:0)	740.679
TG(42:1)	738.666
TG(42:2)	736.649
TG(44:0)	768.711
TG(44:1)	766.696
TG(44:2)	764.678
TG(46:0)	796.744
TG(46:1)	794.727
TG(46:2)	792.712
TG(46:3)	790.696
TG(48:0)	824.774
TG(48:1)	822.763
TG(48:2)	820.749
TG(48:3)	818.726
TG(50:0)	852.808
TG(50:1)	850.796
TG(50:2)	848.779
TG(50:3)	846.763
TG(50:4)	844.742
TG(52:0)	880.838
TG(52:1)	878.822
TG(52:2)	876.811
TG(52:3)	874.790
TG(52:4)	872.774
TG(52:5)	870.753
TG(54:1)	906.852
TG(54:2)	904.838
TG(54:3)	902.824
TG(54:4)	900.806
TG(54:5)	898.785
TG(54:6)	896.774
TG(56:2)	932.867
TG(56:3)	930.853
TG(56:4)	928.837
TG(56:5)	926.818
TG(56:6)	924.805
METABOLITES_END
#END