#METABOLOMICS WORKBENCH jravilap_20171003_103409_mwtab.txt DATATRACK_ID:1249 STUDY_ID:ST000880 ANALYSIS_ID:AN001436 PROJECT_ID:PR000610
VERSION             	1
CREATED_ON             	October 25, 2017, 9:55 am
#PROJECT
PR:PROJECT_TITLE                 	Diet, genetics and gut microbiome drive dynamic changes in plasma metabolites
PR:PROJECT_TITLE                 	[cecal]
PR:PROJECT_TYPE                  	Metabolite profiling of stool and cecal contents in mice of different genotypes,
PR:PROJECT_TYPE                  	vendors, diets, and antibiotic treatments.
PR:PROJECT_SUMMARY               	Diet, genetics and the gut microbiome are determinants of metabolic status, in
PR:PROJECT_SUMMARY               	part through production of metabolites by gut microbiota. To understand
PR:PROJECT_SUMMARY               	mechanisms linking these factors, we performed LC-MS-based metabolomic analysis
PR:PROJECT_SUMMARY               	of cecal contents and plasma from C57BL/6J, 129S1/SvImJ and 129S6/SvEvTac mice
PR:PROJECT_SUMMARY               	on chow, high-fat diet (HFD), and HFD-treated with vancomycin or metronidazole.
PR:PROJECT_SUMMARY               	Prediction of the functional metagenome of gut bacteria by PICRUSt analysis of
PR:PROJECT_SUMMARY               	16S sequences revealed dramatic differences in microbial metabolism. Cecal and
PR:PROJECT_SUMMARY               	plasma metabolites showed multifold differences reflecting the combined and
PR:PROJECT_SUMMARY               	integrated effects of diet, antibiotics, host background, and the gut
PR:PROJECT_SUMMARY               	microbiome. Eighteen plasma metabolites correlated positively or negatively with
PR:PROJECT_SUMMARY               	host insulin resistance across strains and diets. Over 1,000
PR:PROJECT_SUMMARY               	as-of-yet-unidentified metabolite peaks were also highly regulated by diet,
PR:PROJECT_SUMMARY               	antibiotics and genetic background. Thus diet, host genetics and gut microbiota
PR:PROJECT_SUMMARY               	interact to create unique responses in plasma metabolites, which can contribute
PR:PROJECT_SUMMARY               	to regulation of metabolism and insulin resistance. 
PR:INSTITUTE                     	Broad Institute of MIT and Harvard
PR:DEPARTMENT                    	Metabolomics Platform
PR:LAST_NAME                     	Avila
PR:FIRST_NAME                    	Julian
PR:ADDRESS                       	415 Main Street, Rm 7175, Cambridge, MA, 02142, USA
PR:EMAIL                         	jravilap@broadinstitute.org
PR:PHONE                         	6177148264
PR:CONTRIBUTORS                  	Shiho Fujisaka, Julian Avila-Pacheco, Marion Soto, Aleksandar Kostic, Jonathan
PR:CONTRIBUTORS                  	M. Dreyfuss, Hui Pan, Siegfried Ussar, Emrah Altindis, Ning Li, Lynn Bry, Clary
PR:CONTRIBUTORS                  	B. Clish, and C. Ronald Kahn
#STUDY
ST:STUDY_TITLE                   	Diet, genetics and gut microbiome drive dynamic changes in plasma metabolites
ST:STUDY_TITLE                   	[cecal]
ST:STUDY_TYPE                    	Cecal data
ST:STUDY_SUMMARY                 	C57BL/6J mice (B6) and 129S1 mice (129J) were purchased from Jackson Laboratory
ST:STUDY_SUMMARY                 	(Bar Harbor, ME) and 129S6 mice (129T) were purchased from Taconic Farms
ST:STUDY_SUMMARY                 	(Germantown, NY). Mice were maintained on normal chow containing 22% calories
ST:STUDY_SUMMARY                 	from fat, 23% from protein and 55% from carbohydrates (Mouse Diet 9F 5020,
ST:STUDY_SUMMARY                 	PharmaServ, Framingham, MA) or a high fat diet (Open Source Diet, D12492,
ST:STUDY_SUMMARY                 	Research Diets, New Brunswick, NJ) containing 60% calories from fat, 20% from
ST:STUDY_SUMMARY                 	protein and 20% from carbohydrates. For antibiotic treatment, 6-week old mice
ST:STUDY_SUMMARY                 	were treated with either placebo, vancomycin (1g/L) or metronidazole (1g/L)
ST:STUDY_SUMMARY                 	(Sigma-Aldrich, St. Louis, MO) in drinking water then started on HFD from age 7
ST:STUDY_SUMMARY                 	to 11 weeks. The mice were fasted for 2 hours and anesthetized with isoflurane
ST:STUDY_SUMMARY                 	before collecting cecum and plasma.
ST:INSTITUTE                     	Broad Institute of MIT and Harvard
ST:LAST_NAME                     	Avila
ST:FIRST_NAME                    	Julian
ST:ADDRESS                       	415 Main Street
ST:EMAIL                         	jravilap@broadinstitute.org
ST:PHONE                         	617-714-8264
ST:NUM_GROUPS                    	12
ST:TOTAL_SUBJECTS                	47
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1_Chow_B6Jax	Diet:Chow | Treatment:none | Strain:B6Jax	Sample #=1; Analysis order=0010
SUBJECT_SAMPLE_FACTORS           	-	2_Chow_B6Jax	Diet:Chow | Treatment:none | Strain:B6Jax	Sample #=2; Analysis order=0031
SUBJECT_SAMPLE_FACTORS           	-	3_Chow_B6Jax	Diet:Chow | Treatment:none | Strain:B6Jax	Sample #=3; Analysis order=0005
SUBJECT_SAMPLE_FACTORS           	-	5_HFD Placebo_B6Jax	Diet:HFD | Treatment:placebo | Strain:B6Jax	Sample #=5; Analysis order=0043
SUBJECT_SAMPLE_FACTORS           	-	6_HFD Placebo_B6Jax	Diet:HFD | Treatment:placebo | Strain:B6Jax	Sample #=6; Analysis order=0024
SUBJECT_SAMPLE_FACTORS           	-	7_HFD Placebo_B6Jax	Diet:HFD | Treatment:placebo | Strain:B6Jax	Sample #=7; Analysis order=0035
SUBJECT_SAMPLE_FACTORS           	-	8_HFD Placebo_B6Jax	Diet:HFD | Treatment:placebo | Strain:B6Jax	Sample #=8; Analysis order=0018
SUBJECT_SAMPLE_FACTORS           	-	9_HFD Vancomycin_B6Jax	Diet:HFD | Treatment:vancomycin | Strain:B6Jax	Sample #=9; Analysis order=0033
SUBJECT_SAMPLE_FACTORS           	-	10_HFD Vancomycin_B6Jax	Diet:HFD | Treatment:vancomycin | Strain:B6Jax	Sample #=10; Analysis order=0002
SUBJECT_SAMPLE_FACTORS           	-	11_HFD Vancomycin_B6Jax	Diet:HFD | Treatment:vancomycin | Strain:B6Jax	Sample #=11; Analysis order=0009
SUBJECT_SAMPLE_FACTORS           	-	12_HFD Vancomycin_B6Jax	Diet:HFD | Treatment:vancomycin | Strain:B6Jax	Sample #=12; Analysis order=0001
SUBJECT_SAMPLE_FACTORS           	-	13_HFD Metronidazole_B6Jax	Diet:HFD | Treatment:metronidazole | Strain:B6Jax	Sample #=13; Analysis order=0017
SUBJECT_SAMPLE_FACTORS           	-	14_HFD Metronidazole_B6Jax	Diet:HFD | Treatment:metronidazole | Strain:B6Jax	Sample #=14; Analysis order=0037
SUBJECT_SAMPLE_FACTORS           	-	15_HFD Metronidazole_B6Jax	Diet:HFD | Treatment:metronidazole | Strain:B6Jax	Sample #=15; Analysis order=0020
SUBJECT_SAMPLE_FACTORS           	-	16_HFD Metronidazole_B6Jax	Diet:HFD | Treatment:metronidazole | Strain:B6Jax	Sample #=16; Analysis order=0013
SUBJECT_SAMPLE_FACTORS           	-	17_Chow_129Tac	Diet:Chow | Treatment:none | Strain:129Tac	Sample #=17; Analysis order=0040
SUBJECT_SAMPLE_FACTORS           	-	18_Chow_129Tac	Diet:Chow | Treatment:none | Strain:129Tac	Sample #=18; Analysis order=0038
SUBJECT_SAMPLE_FACTORS           	-	19_Chow_129Tac	Diet:Chow | Treatment:none | Strain:129Tac	Sample #=19; Analysis order=0028
SUBJECT_SAMPLE_FACTORS           	-	20_Chow_129Tac	Diet:Chow | Treatment:none | Strain:129Tac	Sample #=20; Analysis order=0027
SUBJECT_SAMPLE_FACTORS           	-	21_HFD Placebo_129Tac	Diet:HFD | Treatment:placebo | Strain:129Tac	Sample #=21; Analysis order=0032
SUBJECT_SAMPLE_FACTORS           	-	22_HFD Placebo_129Tac	Diet:HFD | Treatment:placebo | Strain:129Tac	Sample #=22; Analysis order=0036
SUBJECT_SAMPLE_FACTORS           	-	23_HFD Placebo_129Tac	Diet:HFD | Treatment:placebo | Strain:129Tac	Sample #=23; Analysis order=0019
SUBJECT_SAMPLE_FACTORS           	-	24_HFD Placebo_129Tac	Diet:HFD | Treatment:placebo | Strain:129Tac	Sample #=24; Analysis order=0029
SUBJECT_SAMPLE_FACTORS           	-	25_HFD Vancomycin_129Tac	Diet:HFD | Treatment:vancomycin | Strain:129Tac	Sample #=25; Analysis order=0030
SUBJECT_SAMPLE_FACTORS           	-	26_HFD Vancomycin_129Tac	Diet:HFD | Treatment:vancomycin | Strain:129Tac	Sample #=26; Analysis order=0047
SUBJECT_SAMPLE_FACTORS           	-	27_HFD Vancomycin_129Tac	Diet:HFD | Treatment:vancomycin | Strain:129Tac	Sample #=27; Analysis order=0015
SUBJECT_SAMPLE_FACTORS           	-	28_HFD Vancomycin_129Tac	Diet:HFD | Treatment:vancomycin | Strain:129Tac	Sample #=28; Analysis order=0026
SUBJECT_SAMPLE_FACTORS           	-	29_HFD Metronidazole_129Tac	Diet:HFD | Treatment:metronidazole | Strain:129Tac	Sample #=29; Analysis order=0034
SUBJECT_SAMPLE_FACTORS           	-	30_HFD Metronidazole_129Tac	Diet:HFD | Treatment:metronidazole | Strain:129Tac	Sample #=30; Analysis order=0041
SUBJECT_SAMPLE_FACTORS           	-	31_HFD Metronidazole_129Tac	Diet:HFD | Treatment:metronidazole | Strain:129Tac	Sample #=31; Analysis order=0045
SUBJECT_SAMPLE_FACTORS           	-	32_HFD Metronidazole_129Tac	Diet:HFD | Treatment:metronidazole | Strain:129Tac	Sample #=32; Analysis order=0046
SUBJECT_SAMPLE_FACTORS           	-	33_Chow_129Jax	Diet:Chow | Treatment:none | Strain:129Jax	Sample #=33; Analysis order=0007
SUBJECT_SAMPLE_FACTORS           	-	34_Chow_129Jax	Diet:Chow | Treatment:none | Strain:129Jax	Sample #=34; Analysis order=0039
SUBJECT_SAMPLE_FACTORS           	-	35_Chow_129Jax	Diet:Chow | Treatment:none | Strain:129Jax	Sample #=35; Analysis order=0042
SUBJECT_SAMPLE_FACTORS           	-	36_Chow_129Jax	Diet:Chow | Treatment:none | Strain:129Jax	Sample #=36; Analysis order=0016
SUBJECT_SAMPLE_FACTORS           	-	37_HFD Placebo_129Jax	Diet:HFD | Treatment:placebo | Strain:129Jax	Sample #=37; Analysis order=0022
SUBJECT_SAMPLE_FACTORS           	-	38_HFD Placebo_129Jax	Diet:HFD | Treatment:placebo | Strain:129Jax	Sample #=38; Analysis order=0012
SUBJECT_SAMPLE_FACTORS           	-	39_HFD Placebo_129Jax	Diet:HFD | Treatment:placebo | Strain:129Jax	Sample #=39; Analysis order=0006
SUBJECT_SAMPLE_FACTORS           	-	40_HFD Placebo_129Jax	Diet:HFD | Treatment:placebo | Strain:129Jax	Sample #=40; Analysis order=0004
SUBJECT_SAMPLE_FACTORS           	-	41_HFD Vancomycin_129Jax	Diet:HFD | Treatment:vancomycin | Strain:129Jax	Sample #=41; Analysis order=0025
SUBJECT_SAMPLE_FACTORS           	-	42_HFD Vancomycin_129Jax	Diet:HFD | Treatment:vancomycin | Strain:129Jax	Sample #=42; Analysis order=0044
SUBJECT_SAMPLE_FACTORS           	-	43_HFD Vancomycin_129Jax	Diet:HFD | Treatment:vancomycin | Strain:129Jax	Sample #=43; Analysis order=0023
SUBJECT_SAMPLE_FACTORS           	-	44_HFD Vancomycin_129Jax	Diet:HFD | Treatment:vancomycin | Strain:129Jax	Sample #=44; Analysis order=0003
SUBJECT_SAMPLE_FACTORS           	-	45_HFD Metronidazole_129Jax	Diet:HFD | Treatment:metronidazole | Strain:129Jax	Sample #=45; Analysis order=0014
SUBJECT_SAMPLE_FACTORS           	-	46_HFD Metronidazole_129Jax	Diet:HFD | Treatment:metronidazole | Strain:129Jax	Sample #=46; Analysis order=0011
SUBJECT_SAMPLE_FACTORS           	-	47_HFD Metronidazole_129Jax	Diet:HFD | Treatment:metronidazole | Strain:129Jax	Sample #=47; Analysis order=0008
SUBJECT_SAMPLE_FACTORS           	-	48_HFD Metronidazole_129Jax	Diet:HFD | Treatment:metronidazole | Strain:129Jax	Sample #=48; Analysis order=0021
#COLLECTION
CO:COLLECTION_SUMMARY            	The mice were fasted for 2 hours and anesthetized with isoflurane before
CO:COLLECTION_SUMMARY            	collecting cecum and plasma.
CO:BLOOD_SERUM_OR_PLASMA         	Plasma
#TREATMENT
TR:TREATMENT_SUMMARY             	Mice were maintained on normal chow containing 22% calories from fat, 23% from
TR:TREATMENT_SUMMARY             	protein and 55% from carbohydrates (Mouse Diet 9F 5020, PharmaServ, Framingham,
TR:TREATMENT_SUMMARY             	MA) or a high fat diet (Open Source Diet, D12492, Research Diets, New Brunswick,
TR:TREATMENT_SUMMARY             	NJ) containing 60% calories from fat, 20% from protein and 20% from
TR:TREATMENT_SUMMARY             	carbohydrates. For antibiotic treatment, 6-week old mice were treated with
TR:TREATMENT_SUMMARY             	either placebo, vancomycin (1g/L) or metronidazole (1g/L) (Sigma-Aldrich, St.
TR:TREATMENT_SUMMARY             	Louis, MO) in drinking water then started on HFD from age 7 to 11 weeks.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Cecal contents were homogenized in 10 volumes (weight:volume) of H2O using a
SP:SAMPLEPREP_SUMMARY            	bead beater HILIC-posLC-MS samples were prepared from cecal homogenates (10 μL)
SP:SAMPLEPREP_SUMMARY            	via protein precipitation with the addition of nine volumes of 74.9:24.9:0.2
SP:SAMPLEPREP_SUMMARY            	v/v/v acetonitrile/methanol/formic acid containing stable isotope-labeled
SP:SAMPLEPREP_SUMMARY            	internal standards (valine-d8, Isotec; and phenylalanine-d8, Cambridge Isotope
SP:SAMPLEPREP_SUMMARY            	Laboratories; Andover, MA). The samples are centrifuged (10 min, 9,000 x g,
SP:SAMPLEPREP_SUMMARY            	4°C), and the supernatants were injected onto column. HILIC-neg:Cecal
SP:SAMPLEPREP_SUMMARY            	homogenates (30μL) were extracted using 120 μL of 80% methanol (VWR)
SP:SAMPLEPREP_SUMMARY            	containing 0.05 ng/μL inosine-15N4, 0.05 ng/μL thymine-d4, and 0.1 ng/μL
SP:SAMPLEPREP_SUMMARY            	glycocholate-d4 as internal standards (Cambridge Isotope Laboratories). The
SP:SAMPLEPREP_SUMMARY            	samples were centrifuged (10 min, 9,000 x g, 4ºC) and the supernatants (10 μL)
SP:SAMPLEPREP_SUMMARY            	were injected onto column.. C18-neg: Cecal homogenates (30 μL) were extracted
SP:SAMPLEPREP_SUMMARY            	using 90 μL of methanol containing PGE2-d4 as an internal standard (Cayman
SP:SAMPLEPREP_SUMMARY            	Chemical Co.; Ann Arbor, MI) and centrifuged (10 min, 9,000 x g, 4°C). The
SP:SAMPLEPREP_SUMMARY            	supernatants (10 μL) were injected onto column.. C8-pos: Lipids were extracted
SP:SAMPLEPREP_SUMMARY            	from cecal homogenates (10 μL) using 190 μL of isopropanol containing
SP:SAMPLEPREP_SUMMARY            	1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine as an internal standard
SP:SAMPLEPREP_SUMMARY            	(Avanti Polar Lipids; Alabaster, AL). After centrifugation (10 min, 9,000 x g,
SP:SAMPLEPREP_SUMMARY            	ambient temperature), supernatants (10 μL) were injected directly onto column.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu Nexera X2
CH:COLUMN_NAME                   	Waters Acquity BEH C8 (100 x 2.1mm, 1.7um)
CH:SOLVENT_A                     	95:5:0.1 vol/vol/vol 10 mM ammonium acetate/methanol/acetic acid
CH:SOLVENT_B                     	99.9:0.1 vol/vol methanol/acetic acid
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:OPERATOR_NAME                 	Amy Deik
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_RESULTS_FILE               	ST000880_AN001436_Results.txt	UNITS:Peak area
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak area
MS_METABOLITE_DATA_START
Samples	1_Chow_B6Jax	2_Chow_B6Jax	3_Chow_B6Jax	5_HFD Placebo_B6Jax	6_HFD Placebo_B6Jax	7_HFD Placebo_B6Jax	8_HFD Placebo_B6Jax	9_HFD Vancomycin_B6Jax	10_HFD Vancomycin_B6Jax	11_HFD Vancomycin_B6Jax	12_HFD Vancomycin_B6Jax	13_HFD Metronidazole_B6Jax	14_HFD Metronidazole_B6Jax	15_HFD Metronidazole_B6Jax	16_HFD Metronidazole_B6Jax	17_Chow_129Tac	18_Chow_129Tac	19_Chow_129Tac	20_Chow_129Tac	21_HFD Placebo_129Tac	22_HFD Placebo_129Tac	23_HFD Placebo_129Tac	24_HFD Placebo_129Tac	25_HFD Vancomycin_129Tac	26_HFD Vancomycin_129Tac	27_HFD Vancomycin_129Tac	28_HFD Vancomycin_129Tac	29_HFD Metronidazole_129Tac	30_HFD Metronidazole_129Tac	31_HFD Metronidazole_129Tac	32_HFD Metronidazole_129Tac	33_Chow_129Jax	34_Chow_129Jax	35_Chow_129Jax	36_Chow_129Jax	37_HFD Placebo_129Jax	38_HFD Placebo_129Jax	39_HFD Placebo_129Jax	40_HFD Placebo_129Jax	41_HFD Vancomycin_129Jax	42_HFD Vancomycin_129Jax	43_HFD Vancomycin_129Jax	44_HFD Vancomycin_129Jax	45_HFD Metronidazole_129Jax	46_HFD Metronidazole_129Jax	47_HFD Metronidazole_129Jax	48_HFD Metronidazole_129Jax
Factors	Diet:Chow | Treatment:none | Strain:B6Jax	Diet:Chow | Treatment:none | Strain:B6Jax	Diet:Chow | Treatment:none | Strain:B6Jax	Diet:HFD | Treatment:placebo | Strain:B6Jax	Diet:HFD | Treatment:placebo | Strain:B6Jax	Diet:HFD | Treatment:placebo | Strain:B6Jax	Diet:HFD | Treatment:placebo | Strain:B6Jax	Diet:HFD | Treatment:vancomycin | Strain:B6Jax	Diet:HFD | Treatment:vancomycin | Strain:B6Jax	Diet:HFD | Treatment:vancomycin | Strain:B6Jax	Diet:HFD | Treatment:vancomycin | Strain:B6Jax	Diet:HFD | Treatment:metronidazole | Strain:B6Jax	Diet:HFD | Treatment:metronidazole | Strain:B6Jax	Diet:HFD | Treatment:metronidazole | Strain:B6Jax	Diet:HFD | Treatment:metronidazole | Strain:B6Jax	Diet:Chow | Treatment:none | Strain:129Tac	Diet:Chow | Treatment:none | Strain:129Tac	Diet:Chow | Treatment:none | Strain:129Tac	Diet:Chow | Treatment:none | Strain:129Tac	Diet:HFD | Treatment:placebo | Strain:129Tac	Diet:HFD | Treatment:placebo | Strain:129Tac	Diet:HFD | Treatment:placebo | Strain:129Tac	Diet:HFD | Treatment:placebo | Strain:129Tac	Diet:HFD | Treatment:vancomycin | Strain:129Tac	Diet:HFD | Treatment:vancomycin | Strain:129Tac	Diet:HFD | Treatment:vancomycin | Strain:129Tac	Diet:HFD | Treatment:vancomycin | Strain:129Tac	Diet:HFD | Treatment:metronidazole | Strain:129Tac	Diet:HFD | Treatment:metronidazole | Strain:129Tac	Diet:HFD | Treatment:metronidazole | Strain:129Tac	Diet:HFD | Treatment:metronidazole | Strain:129Tac	Diet:Chow | Treatment:none | Strain:129Jax	Diet:Chow | Treatment:none | Strain:129Jax	Diet:Chow | Treatment:none | Strain:129Jax	Diet:Chow | Treatment:none | Strain:129Jax	Diet:HFD | Treatment:placebo | Strain:129Jax	Diet:HFD | Treatment:placebo | Strain:129Jax	Diet:HFD | Treatment:placebo | Strain:129Jax	Diet:HFD | Treatment:placebo | Strain:129Jax	Diet:HFD | Treatment:vancomycin | Strain:129Jax	Diet:HFD | Treatment:vancomycin | Strain:129Jax	Diet:HFD | Treatment:vancomycin | Strain:129Jax	Diet:HFD | Treatment:vancomycin | Strain:129Jax	Diet:HFD | Treatment:metronidazole | Strain:129Jax	Diet:HFD | Treatment:metronidazole | Strain:129Jax	Diet:HFD | Treatment:metronidazole | Strain:129Jax	Diet:HFD | Treatment:metronidazole | Strain:129Jax
PC(24:0)	5084879	5315762	5105729	5119734	5161997	5110708	5214702	5173922	5035480	5251207	5013155	5115117	5375572	5296837	5073876	5111274	4947067	5138239	5195408	5003118	4807246	5336563	5226874	4825810	5204534	5095827	5418213	5293635	4849122	4952217	5114284	5198449	5002437	4815811	5235897	5125971	5153235	5302434	4928126	5041196	5106411	5126361	4975733	5195922	5279345	4965180	4978755
LPC(14:0)	103	13	95		1125	969	864	11439	10865	13479	13227	6014	2762	3952	5968	2912													227			502	35	42	196					820	848	486	322				137
LPC(16:1)	58	30	316	393	6199	3509	3932	25288	14599	15021	20717	4840	1970	1540	3244	2068	662	289	19		7							16	302			212	368	29	14		396			11027	7360	4111	2676				
LPC(16:0)	480187	401750	594267	275933	723672	572705	813994	838945	963314	1037884	634992	829997	744710	656121	1157388	1546861	523366	320099	708326	202023	182682	114890	47611	230502	367044	176229	240192	363470	482004	307852	425945	692428	483148	394233	301073	131141	269800	117579	112359	275995	329962	273344	291228	177280	343047	251102	377973
LPC(18:2)	117336	87487	86455	10579	27260	21746	50618	129601	75124	82299	96350	49360	42360	28473	39841	873652	100221	117056	229393	4484	12811	838	399	13601	27705	9582	20503	16460	19343	21924	26651	157758	34820	33470	51163	2537	5042	1650	1130	99896	83611	56242	40512	9940	9129	11983	13735
LPC(18:1)	94600	96793	137230	65088	137310	161495	163786	169544	119792	128514	131549	167738	128705	71713	145328	533285	137441	109181	235701	15102	34968	9979	3123	27433	80774	28067	36660	57824	88035	60566	82033	228904	91846	81932	73260	9222	34470	6859	5871	37182	58455	45746	47847	18582	40434	28436	48184
LPC(18:0)	362617	276056	804329	682542	1650483	1245306	1904655	1735190	2213818	2353306	1597933	1732286	2200724	1402479	2654664	1018740	473553	327726	474299	868219	642330	663649	261758	441143	833814	304773	522030	1088957	1415480	453447	764965	314203	614394	571507	217876	445497	482783	360666	332992	384664	659952	521861	579226	590971	653616	794860	731826
LPC(20:5)				10461	21574	12682	86038	46457	30447	24897	39154	21044	23210	15699	13306	69898	2558	12674	19976	3933	19098	600		9835	17183	4163	8326	15157	13768	10129	6904	631		254		1699	3591		212	9616	13406	10452	12078	2306	5205	3272	10250
LPC(20:3)	120058	119797	128297	99027	270406	214159	300766	307229	362921	388492	238590	300768	275435	238468	431582	514282	161943	94018	165864	74021	63319	38734	14807	85373	137415	62306	88014	136356	179908	113922	157356	245639	136739	74932	97679	43829	99216	41325	40442	106944	123946	101616	112835	63264	126507	92439	134100
LPC(22:6)				346	440	472	20881	22149	29216	14402	11054	3255	11652	5129	11033	1639					3793			1497	4750		458	2330	1970	2494	9243									2795	2047	1450	1302	1123	6047	4562	4634
LPE(16:0)	36713	32374	47737	10084	11328	18750	14043	9060	9526	15810	8251	8580	7342	5142	9423	91327	36637	24817	50043	6832	3732	2162	3177	4498	13053	3755	3922	5334	7307	3810	4371	44706	24195	34347	21160	166	1166	457	634	3146	1738	1814	2380	712	2876	1322	1833
LPE(18:2)	5049	2683	4611				164	696	758	1	209					59050	7748	5745	17114		594				82							12541	320	1593	1092												
LPE(18:1)	1576	2242	2668	6290	6865	11160	18595	6211	4992	4877	9522	4668	2550	2107	2535	4117	774	724	3558	2174	7213	832		963	1965	575	2449	1762	2774	2194	486	1767	3840	2680	1760	881	2420	4577	2703	1514	898	1461	2129	2424	3093	959	2216
LPE(18:0)	88421	80118	204643	134464	268028	234534	365485	217398	319142	283320	251084	271241	273435	180978	310705	253220	99236	75897	103162	121914	147580	125034	31804	69018	133182	58295	102802	196240	217937	57567	79009	45149	81196	65353	32887	74401	51549	25805	25044	46893	99876	82362	85609	74676	90054	93077	85317
LPC(20:4)						193	2155	5111	4304	4178	5156		2118								2602				715		1235															194					
LPE(22:6)				169	219	595	4404	4621	1653	1228	4399		736	188	617						1803			467	418		461	325		168				890			174	154	1144	195		701	860		2334	1074	170
PC(30:0)	76199	12171	128302	71329	236991	124693	90165	74937	110847	68803	67975	44344	48380	83288	60502	21752	24988	5449	38140	19730	23023	17272	21205	10490	12637	8761	35558	26738	14327	17233	12809	48836	117037	296260	28788	18259	51325	20482	49290	13258	33604	18696	26682	15119	23732	13662	22469
PC(32:2)	15474	5522	123975	13349	38522	64456	25245	21911	1503	1138	8441	2295	3179	6502	355	15254	6674	4860	5226			1027	89			332	582			1950	2687	54464	118501	113717	23289	501	39746	3261	13119	2248	293	1722	1711		359		365
PC(32:1)	204105	72371	800681	117383	333572	288651	156669	114469	111306	60619	83450	59011	81977	96354	42530	55507	60897	27544	50756	18754	16868	57484	28075	20715	27954	17956	57948	29282	14654	38574	40251	191707	863709	1100469	110181	52934	278025	99367	156496	24872	33976	25431	45178	24700	47311	32789	62027
PC(32:0)	864926	286794	841086	673087	2723628	1046756	923153	871482	1311843	838688	845056	552005	778840	849836	745621	517864	659645	300019	769267	310091	479379	352336	308382	308389	330365	269285	586515	385067	267857	233435	240223	670144	1152968	3095244	693385	436218	525751	531371	842463	318819	577658	357697	493116	302680	451220	320785	348078
PC(34:3)	158707	135096	707249	92785	203019	249080	119753	135009	62000	76152	67836	36401	58857	52519	28128	197769	105048	92665	100479	11464	7296	42439	11900	18736	11179	19592	37095	21286	11724	40487	48126	460056	894427	641675	232339	30597	406784	91350	162910	73642	60405	57102	55719	10030	42837	30161	63214
PC(34:2)	3085007	2792365	10958060	2269249	4885228	4955688	3912869	3412706	1760153	1699759	1627588	1463682	2111135	1953318	1210883	4832104	3134270	2415616	2622694	1141539	1420935	1976009	1247647	1630057	1666436	1733087	2137929	1808190	1513331	2925321	3142623	8407659	17068578	12481227	5390042	2029231	8971858	3298109	4507287	1720067	2244521	2026667	2066907	1668187	3059271	2782816	4716682
PC(34:1)	2604242	1725498	12397162	2771045	5337617	5714612	3277301	2769739	2233454	1684265	2303845	1446566	1817325	2221144	1289573	2321534	2171918	1483251	1902454	1114730	1231817	2111976	1152233	1545543	1632877	1471051	2135938	1944468	1457953	2715173	2612167	5808829	16205513	12811712	3484810	1980779	7226063	3033326	4270350	1311719	2137971	1851342	2178560	1740610	3185210	2613077	4357216
PC(34:0)	236040	155593	277995	341041	852991	486914	367192	298187	429625	287003	354692	190350	237484	258255	272390	101890	198021	173401	238024	155093	268541	176650	122974	130914	227937	108945	214625	234128	131095	145173	173682	186250	235994	362039	202594	270901	227089	207996	286702	141523	311052	232663	242278	188768	228718	161165	184962
PC(16:0_20:4)	2372296	2813340	4909550	63911	182107	185363	114230	241597	130272	185239	213983	109388	117988	82911	42309	3715485	1679329	2246622	2045682	14176	53846	75106	74849	52049	57797	74796	99747	62861	70904	132528	123090	9167498	3301561	6854725	5709744	48332	401791	120663	163000	312185	211155	254648	239527	44767	74270	116649	150419
C36:4 PC-B	2854352	1061479	9552628	4860259	11902598	12640209	8421585	10258873	4828934	3853442	3611714	3464303	5984600	6039531	2748109	1360679	2206672	825465	1092247	2627228	2848459	4063254	2907646	4817709	3300053	4942170	6134471	4219468	2918009	5832147	6795812	4200981	16568549	16675213	3084349	4539475	13368010	7244968	11676674	3492500	4759585	5129984	4717907	3661274	8507909	7558561	9535065
PC(36:3)	2157405	2389434	5972134	641320	1519640	1650568	990722	1118330	552657	570608	803006	582594	772273	625259	318843	3096932	1836947	1776107	1794028	238415	505848	562170	380273	510435	571097	496481	677024	537239	413665	834064	868887	7469761	6515251	6998851	4358501	504725	2396235	859264	1217768	462727	672457	648767	675084	492370	873185	799242	1328140
PC(36:2)	1508654	1186747	5881691	1993758	4581789	4077262	3818373	3131906	2295910	1685603	1933979	1399079	2183031	1876087	1180196	2508645	1866050	1042812	1476267	1281737	2774727	3015096	1827141	2073411	2259678	1864043	2786868	2747392	2212021	3748274	4153349	3939402	10494282	7930795	2849273	3282209	6823021	3574454	3978980	2154419	3652615	3327097	3049459	3271020	4728112	4413440	5910528
PC(36:1)	757767	365485	2383212	835205	1692200	1593568	1368381	1193105	980671	708089	969647	511348	637834	769007	474808	468377	533025	430819	425154	591739	1166227	1422901	776641	834229	960074	676129	1202755	1302816	815651	1618718	1627165	911303	4267111	2650748	683847	1288707	2204749	1270090	1447332	863492	1536023	1471971	1476775	1316332	2055054	1687346	2473380
PC(36:0)	19561	21625	18112	18739	51150	31218	27474	7062	12615	12631	5614	3638	5709	4798	4780	10077	16769	17980	17965	12071	27758	24649	23337	7909	43475	5837	9681	15879	7072	8975	19977	8302	17728	18942	8584	20266	13913	12687	12405	8876	18231	9244	11014	7873	9480	8873	10068
PC(38:6)	255393	183914	686354	100177	253577	225917	196028	502743	230208	134683	173545	72446	191526	130788	96483	203658	268159	89581	152369	73119	79781	100705	75914	100196	82128	93534	140607	84898	74022	108062	194544	344150	732952	731898	305808	138897	215743	243069	304786	84802	120725	108849	154637	98353	181271	177149	164648
PC(38:4)	192813	57918	648281	536213	1372060	1346601	1076033	1052912	513007	426750	430301	357553	692716	590748	314210	173699	142229	33805	68353	376607	643724	784248	557045	740721	500469	631797	821219	725527	489531	1008073	1235964	356092	1445847	1424040	286027	916248	1677261	1084459	1396109	780340	1000567	973636	800022	1080074	1760899	1974205	1524544
PC(38:3)	36775	7474	280384	125612	310497	252518	237966	182903	114148	63888	82861	58521	85066	88790	43165	87437	60213	5233	20553	100602	266475	231936	176699	150478	171989	109362	197805	194453	129513	282302	325331	129818	759528	452242	95831	281821	573517	282640	339741	185103	297724	247968	223226	348958	627819	508588	552921
PC(38:2)	21709	9147	125007	40159	144528	94071	92850	86038	77738	49053	80224	22744	44604	36624	27705	35945	28416	4828	19552	17992	66716	77906	15817	26974	63454	23363	72225	71791	48071	79169	81941	73472	237293	186277	38974	67594	114494	49342	77267	38700	81469	70156	89713	64562	86547	60611	119842
PC(40:10)		330393														119672	424854	376589	439525														130138		308206												
PC(40:9)	123472	82909	254070	35829	86604	60527	75330	187043	83232	41586	58371	17121	70206	40407	36529	87217	103767	34009	55199	26912	25737	31080	15737	32858	24142	30139	46653	22208	21080	34678	79698	94371	199160	199639	91678	38402	45756	76963	93038	26626	44625	41577	56641	32464	62514	57453	55696
PC(40:6)	123053	38399	263121	51209	181659	135171	131010	138013	124566	56451	113488	26280	74152	48035	34900	35865	77000	15581	74652	52850	145004	184780	256545	78845	70970	66521	91551	62117	42522	76051	222004	225611	359516	398312	167339	187636	273716	229071	269217	72944	98233	114408	137816	147411	261446	278103	159382
PC(P-34:2)/PC(O-34:3)	44919	8752	294146	27042	68611	95751	54895	50124	24897	23979	38073	20983	21935	28647	6916	21613	38518	21814	8657	12716	5151	43483	59319	40039	53423	27690	44776	49507	39157	105712	81892	94716	552457	281545	59760	61736	290911	105820	114716	41745	90531	92037	73304	61364	103762	101922	166696
PC(P-34:1)/PC(O-34:2)	325389	122892	533515	46162	123333	135062	85934	129185	81302	91511	78723	64706	56694	78377	54318	29980	149001	127871	78006	30376	9828	56492	120541	75133	97105	49549	92558	103546	72979	158132	94402	168690	602894	365187	149262	83209	258629	117184	112724	79172	157494	157070	127536	92715	160754	173986	273074
C34:1 PC plasmalogen-A	145306	15852	465769	68523	241498	160370	72044	110825	80373	77996	109195	51755	60257	85800	45799	43126	66838	54348	49586	42334	40998	110920	61466	48178	72474	59690	138224	81846	54909	117453	84042	96856	881728	897301	59635	105671	348542	140614	193341	42165	96111	67385	66055	51959	120497	69201	194500
PC(P-16:0/20:4)/PC(O-16:1/20:4)	43769	9817	272753	88884	231003	272333	167251	233140	113013	114731	141282	81171	114405	131745	45896	28189	47526	11740	7060	63384	29358	59083	75300	142120	141623	90245	156206	127546	98509	216547	135862	121354	640881	422304	46820	97930	452613	155126	289653	165466	259555	317719	241191	129999	244442	225954	278657
PC(P-36:3)/PC(O-36:4)	839		12833	1422	15728	7288	3497	815	540	905	123		742			789	100	417		914		3004		656	3088		1307	3737	929	8250	4461	1545	36948	17663		2766	16436	877	1541	96	2549	811	493	91	1052	1830	9758
PC(P-36:2)/PC(O-36:3)			38498	782	5368	11371	4555	22	387		536	439		1524											3725	435	784	2458	408	9785	1604	1262	70303	17594		652	31439	5155	5703	984	4353	6677	5060	4105	9536	8105	16135
PC(P-36:1)/PC(O-36:2)	14498	5204	196317	13310	56203	40217	26985	14462	6078	8248	12205	1124	3089	8967	1561	7682	8692	2123	5333	3563	8258	23999	8799	10000	14305	11424	29778	23092	10954	37818	29181	26338	350774	211134	13122	19390	124462	31990	51522	6690	17990	15741	12342	14903	49982	29456	73212
PC(P-36:0)/PC(O-36:1)	511		48516	1726	40978	6619	13702	7188	17512	11162	16634	1122	2493	4268	1468	5028	6001	531	9624	1397	5169	2764		1821	1543	1531	3120	2655	3958	7911	5034	7493	72578	41152	5658	10939	33894	3514	14149	1959	11153	4058	4780	1464	15472	3616	22748
PC(P-38:6)/PC(O-38:7)		273	13824		2625	5630	13460	5844	2296	642	1252			677	97	370	1367			956	1064		2003	4383	7121		1418	1687		8599	13260	7032	53576	42056	1467	9368	9848	3830		11465	19172	15562	8134	10445	24171	15678	18641
PC(P-38:5)/PC(O-38:6)	11423	5538	100245	8149	50024	58332	33385	36551	34185	20426	49622	11657	25127	22451	11279	2340	4816	730	2025	10821	18590	26667	25106	30095	28644	21222	29353	27771	16703	53786	53458	20020	223030	112241	7142	25427	129178	42702	73038	34193	56773	59661	60746	33911	64862	63961	62391
PE(32:1)	29314	112739	68772	1635	16127	9610	1544					759		295		29630	44582	26260	80123	8679	11787	80053	78217	216758	121236	271681	181689	265349	160479	448849	303479	12567	5644	57491	7286	739	10665	2651						203645	172111	154097	97440
PE(32:0)	18836	1764	21563													15542	19096	23415	26688	29	1	21	153									16385	8997	12066	16876												
PE(34:2)	491387	550027	615131	39654	85674	52232	38479	31315	15603	15977	21412	14266	11600	15645	8698	413360	541027	281369	745063	79572	61206	119710	118499	159994	83437	232414	149162	152500	97347	265869	198214	232447	269645	395041	161096	37195	117597	62298	55353	42262	31005	28835	26883	129690	153876	131145	126078
PE(34:0)	19051	5516	62745	25518	86081	46741	54675	11357	16104	14867	9794	1066	8522	11183	8522	12447	14592	3464	14240	6778	11768	6406	1312	3067	4670	5687	10641	4406	1961	2648	780	22288	92772	117008	11659	6189	71033	11147	34045	545	2961	1269	2312	646	4644	3018	3827
PE(36:4)	641728	599714	1073362	304068	730938	679305	461165	299820			201877		108963			270113				607789	523087	1128851	730431								258982		744127	1023389			343821	316242	374425			121182	179209		554114	268795	476586
PE(36:3)	52652	54668	166272	9899	43513	54762	16186	47391	15217	19190	36112	31140	29170	23220	11469	70809	60231	50755	70733	11255	30111	42428	42411	26396	21250	45649	30925	31733	21747	51919	52758	185527	194258	194795	107620	11665	78298	44626	38671	13180	24423	17623	21837	24638	67772	36284	98449
PE(36:2)	127123	95807	378869	180073	398562	387748	251378	370008	228856	236488	306565	246821	270487	273222	192325	167099	179476	76052	173964	115998	369805	420045	283505	277658	333063	297605	402519	386358	270714	488689	583833	206413	629577	472423	214654	407471	554932	301819	330532	279914	453003	434546	404197	448170	611255	501645	760662
PE(36:1)	98380	48093	365390	170491	340629	333004	234540	292360	151442	158895	210207	172559	177644	193767	150884	62336	79905	43403	136328	96113	249725	301265	222084	182571	214838	173267	242571	257219	166912	382893	423488	108989	766037	343690	95401	264836	478820	243544	268609	201244	291926	286711	277472	319016	488123	355677	582652
PE(36:0)	5368	1602	12136	17521	47206	24242	23306	13573	19567	16552	11344	2826	7462	10246	11797	6932	6163	807	7550	6464	11515	5537	392	4708	6367	3886	10114	7424	1812	2158	2789	4657	20082	34332	3499	2292	12701	1969	12149	1816	8036	2731	2720	407	5182	2772	4035
PE(38:6)	31636	21075	72801	1224	11564	10877	9041	34117	30906	6899	43799	2360	6414	5728	7004		907		2262		2812	12439	10667	10782	3744	11546	9195	3328	1278	11396	23155	21667	67050	103743	14826	7451	34983	44174	50083	11275	7947	16312	33696	16443	48914	39555	29602
PE(38:5)	19	5	0	335		878		1430	1046	1143	2502	381	233	586	1293		24	1	67		78	45	44	155		296	222	250		700	1175	29	1786	1	28		1583	1039	2380	313	909	443	1087	776	1615	1515	2517
PE(38:4)	419428	174967	461157	149654	353987	341619	225196	353998	255357	224606	281291	163883	211175	234398	157459	32699	129662	118460	134046	113790	328514	451728	584439	207628	207221	197696	272309	257674	150250	354210	518784	198575	575261	641415	244421	496567	708497	503284	563732	313898	400810	434582	409348	526733	708878	713611	578978
PE(38:2)	48039	42420	373347	63478	151307	175368	120146	66329	31090	36413	36941	23764	39048	43088	15244	87509	59678	24228	30268	24246	60827	62135	50528	50160	51714	46363	61068	49462	36016	75758	79259	168552	626263	370780	97225	60592	348604	102875	145385	36906	56210	54805	52467	51393	95203	84502	142519
PE(40:6)	72932	22779	132574	12521	61296	46827	65261	66111	194895	96359	253886	47961	43740	60294	56947	12135	20017	4140	9375	33327	82218	111804	89421	69585	64391	76888	72412	62844	40799	96884	189238	83858	129280	164472	43751	102323	181886	186788	234684	93855	98012	116876	229133	155579	268881	280296	143157
PE(P-34:2)/PE(O-34:3)	4651	4912	80068	3382	11123	10648	8522	12797	1121	6285	10789	5946	5087	9814	3400	7843	36345	20940	74011	2115	3953	36643	32862	23958	20744	50683	36881	13787	6153	44394	46103	14909	168074	89166	6433	12562	93264	33789	29495	12588	22958	16823	19250	21345	28224	38005	60189
PE(P-34:1)/PE(O-34:2)	114114	110276	492361	77872	157231	169820	108482	122123	89019	79819	108262	71940	69680	96338	58843	55485	178239	150302	248178	52604	58856	155397	140583	177596	184864	236886	248239	151355	93592	290434	282617	149381	650574	447931	124014	139174	389436	201709	210915	134234	168607	157024	161596	199925	263468	275816	457868
PE(P-36:4)/PE(O-36:5)			711494	311585	1559982	1637490	645220	1765447	734570	851480	1067885	835859	1130079	1230140	607698					112977				1433158	1153715	1270308	1432408	1154740	661405	2245681	2165788		5487584	3039018		375803	3646347	1614307	2161208	1327621	2030643	1841542	1495757	1508284	2555711	2461398	3232877
PE(P-36:3)/PE(O-36:4)	1186		84074	3033	21450	28399	15292	13609	4602	4504	10026	4179	3756	8631	354	768	3702		719	2389	3793	17730	11481	15514	16589	13554	16573	13728	7126	49275	44151	40744	192084	102354	4610	10708	135701	37669	56629	12559	33846	25055	23481	23404	50304	50085	67739
PE(P-36:2)/PE(O-36:3)	38313	33838	266733	41373	95954	117154	78721	76724	63137	52325	88785	47726	42558	72466	37698	15467	25547	14229	26133	24694	36931	65391	58306	74898	81480	75064	88092	85558	51988	165591	156582	78424	388309	240991	56114	65315	286691	121258	138670	77032	98140	107868	113457	130928	196195	181242	259211
PE(P-36:1)/PE(O-36:2)	73954	49696	279883	59807	124561	134523	98025	89821	80848	64390	93474	47215	54417	84524	39685	16925	36060	25819	80558	20463	32839	50585	54095	67858	61548	55759	68307	78285	41813	165985	140602	53381	260828	162593	39645	73182	222715	114659	131173	79346	95629	104096	99074	152105	202018	175772	270329
PE(P-38:6)/PE(O-38:7)	111887	101711	137625	10917	34665	27982	26583	31483	41649	21732	55993	11226	13445	16454	9369	503	7202	11660	47046	8335	8756	35335	34134	19317	22952	17243	23295	16263	5023	46310	58229	50140	217298	293660	55717	22697	104009	88039	86823	35569	45139	41522	56554	51046	88274	70354	77422
PE(P-38:5)/PE(O-38:6)					1075362	982722	601256	996239	500973	568341	680736	571689	828288	995013	405948					79862				990514	754146	843813	1071860	833619	473883	1756948	1511562		3453872				3007426	1151723	1840189	1066975	1438994	1489635	1281102	1265690	2230279	2079630	2625042
PE(P-38:4)/PE(O-38:5)			1201443	1021028	2641113	2930342	1605268	1830649	1005979	1104232	1342106	1013439	1204775	1796046	845279					328587		529700		1162480	777860	1032914	1132644	1055749	566297	2293142	2026684		3749444	1639893		978492	3998720	1816391	2611548	1602479	1813320	1902561	1562079	2083931	3304839	2703336	3514861
PE(P-40:6)/PE(O-40:7)	118125	30252	211311	22266	51433	57636	42334	24925	87367	32261	104872	19309	11835	25388	13535	2572	31486	39573	65736	10531	26014	59408	74908	16276	13423	20869	18817	16212	976	38515	52010	98822	171022	215658	46453	56913	130264	112739	154724	37260	38593	42133	85111	59917	112938	91260	75506
Sphingosine	48551	118040	92289	13239	27177	13964	12011	17379	8468	15327	14823	12504	14039	16532	15708	39012	29157	43982	56648	10903	12326	9185	8534	11805	10086	7311	12391	9821	10578	9054	13950	20070	41574	23918	21465	13596	12113	5719	9522	6439	8321	7149	6052	7886	9172	8112	10122
Cer(d18:1/16:0)	114305	91590	166530	116935	312154	164216	172462	202308	155075	207703	176155	221037	181701	160797	191745	133771	232264	127684	250096	123636	117771	106804	62312	137750	91232	189429	104218	118052	119572	95226	101930	77055	110243	151072	66901	102491	71589	59681	51909	58345	95948	57013	61497	78165	124431	109710	114060
Cer(d18:1/22:0)	33721	27738	38512	35582	110506	27542	39862	130357	86757	129249	81471	108413	88419	75517	97401	26959	71776	36326	82255	28055	15210	6050	6726	133065	9295	111458	103337	14806	21203	4532	4619	40163	33782	57652	22589	31840	20578	11577	24468	8523	11601	7761	8214	6613	6952	5168	7867
Cer(d18:1/24:0)	68621	53470	65806	35363	128432	47651	43776	158858	105331	174014	115832	125784	105788	104831	115385	39649	80006	44935	103279	32825	22078	15251	12929	75753	20711	81934	53064	29234	27016	30414	22900	67995	62075	82035	32570	45230	41356	26621	79484	44103	52677	39932	37258	50639	58137	58399	76090
Cer(d18:1/24:1)	47744	30804	48274	2799	18710	2474	1673	28872	14918	22410	20674	20473	17004	12079	17324	33073	81185	43621	107488	1632	262			22312		15731	9955		277			52369	33667	82955	16856	441	458	969	994	1891		1709	547		907		
SM(d18:1/14:0)	6973	5608	28493	6289	24201	13914	7745	91160	89550	117277	106985	44773	33006	20589	34395	3350	11647	7794	23719	352		514			1062	275	265	291	690			5624	11508	9012	1957	1500	5637	2127	1466		765	757	968	521	865		1425
SM(d18:1/16:1)	310		3917		1662	1341		19540	13598	18051	18462	2411	5589		894		389																7043	3510	632			2863	523								
SM(d18:1/16:0)	841630	957793	1872548	1014976	2018222	1442939	1332459	2812330	2583510	3402799	2892374	1842426	1742028	1274413	1683919	965063	1381388	712966	1280961	535353	708416	583598	440815	397196	405725	392572	429478	518711	480738	393933	369402	408285	1242673	1146462	392794	443351	729890	560773	486531	289254	425840	323522	333505	362474	532545	427627	519623
SM(d18:1/18:0)	116545	45055	140661	14674	47570	35493	23388	178788	139479	168797	176389	76234	78163	50383	66847	15902	64129	84588	79178	4241	7591	10570	31569	13153	6359	12670	10104	11138	12994	7241	7238	101268	88131	132544	173801	12231	54557	74338	32560	8594	12127	9365	24673	15320	17278	16821	22317
SM(d18:1/20:0)				48132	177890			2380670	1681783	2244235	2062682	940184	735513	486485	815305									106067										401910						50320			84335				51320
SM(d18:1/22:1)								995051	828861	1132263	888176	383745	313862		268367																																
SM(d18:1/22:0)	164765	75835	194087	148571	268698	156788	110250	904219	694067	1019947	725049	418344	363116	222146	386351	51617	135701	76205	142055	23321	40021	24884	48912	30735	30470	24568	29573	46430	65373	8973	7577	46574	61640	156040	59292	44172	66115	83172	51653	36875	58133	26249	42891	25256	18953	8183	32254
SM(d18:1/24:1)	326084	132358	323620	24589	85949	31081	14263	384096	256698	355387	338316	130255	137380	81720	127128	74473	183686	99458	267839	1962	4005	1206		12217	1282	7066	1816	1279	3262	47	160	84754	72335	347123	75504	2386	10655	53997	31134	3672	1268	5243	14426	5181	1313	5309	7891
SM(d18:1/24:0)	182893	92750	210841	43683	147662	51529	31876	544286	386368	544498	520148	238761	212644	141547	236398	89718	162075	91941	161546	8944	12062	1150	814	13645	16031	6835	8178	16249	27624	948	36	199200	163430	162023	113242	6876	22381	32917	22610	22835	30402	11238	22308	8084	9835	2343	11754
CE(16:1)		172932																	90100															152176													
CE(16:0)	589	7887	5743		16928		6423	284								5239	8494		1839	7559	4925	15399	10230	5125	487	4717	2992	2380		2905	4194	1297	9614	9892	524	2755	17461	9232	10444	7801	3483	2324	1263	12737	15292	16172	5567
CE(18:3)		18522	10840	367	13255	724	3117	333	288		672					11951	11602		9064	3894		1393	5241				328	3686			3409	8225	9871	21312	6119	734	4503	1410	2728	513	530		272	1169	7221	2708	343
CE(18:2)	98865	216251	187836	127015	395630	108144	229736	162636	72470	51063	121033	59071	134876	46371	41200	169368	247461	68453	182585	214981	109971	192202	367870	144873	98774	155684	108002	167640	94808	101286	201289	202696	411567	409660	312750	161320	226706	295258	347616	163322	183294	103884	132722	259003	241613	226811	142340
CE(18:1)	41548	119710	95308	68116	318688	71057	175551	100460	67235	50658	105252	61665	70336	36874	51733	74881	98170	30494	84255	184495	91369	216494	358388	112282	98430	65767	93660	143337	87398	91295	177002	88879	144117	194709	79708	159139	282859	177939	243304	150305	185018	114910	133398	180215	222088	176292	172446
CE(18:0)	4578	12223	14610	1278	20279	2641	12954	5327			1204	390			380	9788	9607	2968	12796	33637	27764	51410	39767	24635	10179	16841	16234	16755	2380	21736	29357	12460	9005	19035	6438	37591	72506	45368	39112	41048	17591	23795	11465	42375	55834	47163	34707
CE(20:5)	7374	9928	22217	1002							342			343		10353	10041	5250	10838													20759	18679	33076	19072	262	78		1624					853	1482	329	201
CE(20:4)	10035	2793	15390	50042	97294	56271	28576	104314	21739	21035	26732	8262	87923	16404	7134	3916	8831	5306	5942	35473	23985	28080	45055	41819	6627	66271	12632	12019	5532	12176	14910	33671	81488	96147	73521	22602	27484	111680	116323	12900	27808	10238	10941	46857	26751	35725	12727
CE(20:3)	72149	57232	106380		1237		3499	704	345	1196						108362	80935	76661	80698	1829	703	15733	6900	2094	370	6593	12487	9744	48982	2215	6398	180064	149849	211724	126237	1908	1138	3999	4087	438	6411	432	2360	4458	5960	4459	2601
CE(22:6)	35397	32532	64141	12601	11007	22977	12406	32895		1771	1371	373	9686	3722		44402	45041	25458	52141	12448	1901		7189	6050		8449	365	897		345	5751	58323	70857	89271	55106	4958	1494	13171	21192	785	1090	871		3322	5791	5690	1145
CE(22:5)	1259	2570	5388													3213	6839	1456	7943																												
PI(38:4)	625		8350		17746	5136	2171	11717	18849	10990	24756	2825	6631	8212	3424	480					4601	687		2941	2560	3446	5729	1520	1351	10120	15428	544	40343	28172	1307		10878	755	6070	3059	8094	9902	15923	3594	19885	18400	12211
PS(34:1)	19701	19631	10540													6908	7822	4023	10922													841	3037	2522	3498				3								
PS(34:0)	79873	26418	150406	4179	29248	35727	17865	6	9		3		2	5		12232	26239	43375	45301	3224	17693	53862	72887	10511	552	17681	11369	4198	2693	13144	13063	81424	121168	133270	65609	58040	236575	55701	77746				348	2456	2758	4522	1408
PS(36:2)	854221	180427	1512682	58696	238523		219952	125216	1986700	719579	2370706	402137	95640	285785	575449	111209	219294	160997	238839	68023	150183	235184	180090	184517	171491	301799	236721	134996	70615		245109	1035892	419964	332605	580368	348056	554792	863886	1280409	327010	170954	324981	1449415	537988	703366	855165	234692
PS(36:1)	178787	156196	127208	55303	87597	62735	42725	4791	4563	1976	5293	587	4226	3953	666	54649	89734	70262	101860	1193	6437	15075	49891	3317	1134	786	7265	3474	1336	4507	4219	59040	80628	112722	81720	48788	104615	62708	101044	5633	4506	13776	7987	16443	25528	33063	16239
PS(36:0)	2785437	599151	2463774	300044	468176	458809	93002											804752	328004	34420	87408	729410	1535933									1032807	522751	608036	1727372	496910	2815137	886788	502856								
PS(38:4)	6880		32354	582			2096	432	81112	26681	110390	5922		3197	13122							998		459		10336	2716	398			850	11866			1404	478	5205	25647	32213	3430	1908	2577	71068	9739	25643	35582	1206
PS(18:0_22:6)	416573	129195	619896	49824	105486	48342	176177	56460	1186753	423508	1464507	202033	50581	164881	279526	42889	68535	89000	107555	59051	52701	150593	96037	71022	36815	235129	107701	54984	38933	41790	46435	444426	57438	93697	206033	121268	311465	563556	704691	113146	48061	126051	972559	254392	353101	487908	120095
TG(55:3)	26567	39148	81555	5851	2578	3709	1327	7159	10033	7364	4618	3463	4267	4001	6075	6618	7306	5494	8056	1753	9802	193820	705263	8959	3143	30055	5854	7146	6750	21006	12959	141493	811504	521809	563173	3771	301983	280035	339087	36668	33302	4513	1201	191251	5961	196700	213839
TG(55:2)	132799	175899	200348	10987	8252	13000	4413	12486	9521	6244	1517	6532	7864	6471	7340	87283	116301	84419	100058	7838	5211	48626	236576	15613	18719	12076	8260	10673	9916	7413	7048	257475	603412	567792	435868	4432	55965	76200	104200	5636	17523	1225	4411	31317	7528	14458	39694
TG(53:3)	170745	239892	308738	50936	39385	47618	40863	45014	50236	46078	49019	40638	38848	40789	46138	51303	73099	81808	64989	35825	37990	635736	1605878	72887	36903	152844	51114	38848	38113	131709	78192	362192	1811229	938399	1245470	66302	848738	689831	868043	260874	175239	46350	44620	586275	95528	776729	749870
TG(53:2)	1596648	2111301	2551134	225452		169859										300470	535250	501743	595663	28793		3434251	10372843	323380		735123	74323			613986	444958	4777956	12344995	9364148	10294299	320655	4293676	4245748	5041893	1162338	751332	240712	69573	2676498	647156	3289085	3071102
TG(51:3)	822049	1225239	1922883	137597		118824		59109		141333	72127			28346	39634	135608	302761	268206	362038		68900	4014974	10191307	453791		923025	190250			604179	190128	2875112	8626432	7229339	8630382	268872	5491401	5095290	5717569	1593419	911451	189503	89732	3927303	478814	4452423	4079814
TG(51:2)	21498448	29684178	43975573	20370759	3053443	19981773	1326764	3117387	894280	2123514	1612146	876210	3094949	3382887	1014917	7852183	10674763	8929543	10096211	7251198	6100086	95103228	238624472	13353737	832050	23722259	6722823	1753787	878805	17194405	8730994	70846537	167082459	148738599	162471566	12523555	110616627	109458476	131223243	39953378	23915855	6769935	3803669	82314977	16960849	96598290	83220538
TG(51:1)	1598621	1941445	2312567	2257996	1084968	1794730	234288	239151		318639	75617		181523	274704	75242	986553	930795	713430	1036061	772396	658654	3547281	7081119	868599	115670	1173304	409902	259831		1727389	1512302	4234216	7284729	8801288	7090970	1866513	4746857	4592514	5188622	3772550	1969781	1512416	836528	3262510	3509284	4640927	3536435
TG(51:0)	573193	402609	543150	4128431	6364650	3376758	977682	224720		260485	74913	119304	187831	320165		1717442	788132	783352	324956	1077929	2557625	5159216	6317866	1422165	745714	1384609	787650	1346993	199542	7865642	7761633	2213786	1736270	3184048	2369449	7987303	11230146	7475606	5207332	16576450	7651776	8354918	4668673	9800605	17806218	15455877	10673468
TG(49:3)	5706	20678	37586							10800									1854			71652	324927	443		4144						83714	270669	262147	277327		129129	111361	137048	12209	500			66208		75401	68566
TG(49:2)	67065	87907	161058	11176	467	10976	698	3710	2700	95969	10532	1332	2249	5607	7410	33515	53455	48217	51744	2943	538	253370	764095	37001	3819	60837	3173	471		14437	3110	218164	619773	652368	703128	8198	334198	291823	338713	73984	19070	3401	300	207959	12011	237843	206902
TG(49:1)	91641	119604	184190	111906	9804	113935	2728	4608	960	104233	21270	2065	7801	18638	16872	57673	46354	46500	67107	47760	21198	250574	598747	67981	5604	87785	14292	2444	2093	36780	32192	305508	562210	675255	589901	56212	291295	295367	365100	103220	55732	19575	11961	192630	52729	218631	181647
TG(49:0)	48299	51819	78087	377794	207858	311485	27436	69662	6921	45800	18804	5095	43493	43915	8266	141210	59370	84650	42248	165221	126793	237705	336001	103953	49418	113116	56917	46504	7468	249121	235268	193437	235425	652346	286357	275142	390788	447892	454998	506410	259488	262106	151482	297927	565918	460488	340319
TG(47:2)	4157	14412	11502						1619	69765	8324			2430	4315				2472	1021		19067	129631	15213	1195	9684	889	703	935	632	449	21069	85889	96478	86347	1540	36519	19789	31433	2708		1685		15145	397	13804	17366
TG(47:1)	26297	50567	52711	10108	1821	8201	1469	1793	3763	120911	17644	3392	3654	21450	16260	14168	12248	11062	20061	15108	1972	47366	175923	41214	10213	32232	4925	3468	3383	5391	5867	72784	128777	147401	139245	8211	61630	47078	67101	17458	4887	9333	4280	41587	5439	37979	39009
TG(47:0)	39858	55648	65288	154607	37172	143233	19426	47654	21177	87312	41072	15954	33245	37460	28136	101692	51590	96892	56638	94046	51946	78391	139534	71389	71214	78677	34394	25388	20032	46785	55226	96382	114934	345545	144161	63512	94605	173340	195789	71012	45460	43690	31450	73812	78433	68693	72524
TG(45:1)	5941	10285	5182	1697	1547	360	709	1364	2851	52169	8917	408	919	5189	2153	233	743	1454	1600	1543		3778	25874	10259	1926	5643		365	1686	1315	435	10281	18608	15008	15526	1773	3603	2904	1320	1700	439	3608	1367	1027	923	976	6456
TG(45:0)	20172	33127	29728	25459	9093	24113	10170	15824	12607	57935	26196	7611	9521	14506	9424	51874	20074	48117	27434	25843	14227	15969	48257	26250	35937	25975	8985	7486	8825	12663	15984	38005	43998	87031	49646	13220	22531	29771	36595	12124	8248	14444	9349	26126	22419	10292	20394
TG(43:2)					63394	347	6576		3499			2508	795		719				689	1157	371	2560	2153	569	1200		11479	14428	3055	369				257		12179	20070	1798	49838	4467	16125	3414	9293	13842	21104	4481	19319
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention time	quantified m/z	PubChem ID	KEGG ID	HMDB ID	Study Metabolite Name	Study identifier
PC(24:0)	6.27	622.4444			Internal Standard	C24:0 PC (Internal Standard)	m111
LPC(14:0)	4.24	468.3086	10303298		HMDB10379	C14:0 LPC	m112
LPC(16:1)	4.4	494.3248	126529343		HMDB10383	C16:1 LPC	m113
LPC(16:0)	4.69	496.3401	10303297		HMDB10382	C16:0 LPC	m114
LPC(18:2)	4.54	520.3404	126529346		HMDB10386	C18:2 LPC	m115
LPC(18:1)	4.85	522.3559	126524654		HMDB02815	C18:1 LPC	m116
LPC(18:0)	5.22	524.3716	10314966		HMDB10384	C18:0 LPC	m117
LPC(20:5)	4.44	542.3223	126529357		HMDB10397	C20:5 LPC	m118
LPC(20:3)	4.69	518.3222	126529353		HMDB10393	C20:3 LPC	m119
LPC(22:6)	4.45	568.3405	126529364		HMDB10404	C22:6 LPC	m120
LPE(16:0)	4.71	454.2927	126530038		HMDB11503	C16:0 LPE	m121
LPE(18:2)	4.55	478.2942	123062684		HMDB11507	C18:2 LPE	m122
LPE(18:1)	4.76	480.3092	126530041		HMDB11506	C18:1 LPE	m123
LPE(18:0)	5.24	482.3245	126529720		HMDB11130	C18:0 LPE	m124
LPC(20:4)	4.58	502.2929	126529355		HMDB10395	C20:4 LPC	m125
LPE(22:6)	4.47	526.2934	123062686		HMDB11526	C22:6 LPE	m126
PC(30:0)	7.89	706.5384	10242394		HMDB07869	C30:0 PC	m127
PC(32:2)	7.71	730.5383	126526875		HMDB07874	C32:2 PC	m128
PC(32:1)	8.05	732.5541	126526874		HMDB07873	C32:1 PC	m129
PC(32:0)	8.37	734.5694	103072361		HMDB07871	C32:0 PC	m130
PC(34:3)	7.9	756.5535	126527006		HMDB08006	C34:3 PC	m131
PC(34:2)	8.21	758.5694	11041363		HMDB07973	C34:2 PC	m132
PC(34:1)	8.52	760.585	114008079		HMDB07972	C34:1 PC	m133
PC(34:0)	8.83	762.6004	126526970		HMDB07970	C34:0 PC	m134
PC(16:0_20:4)	8.02	782.5697	126526983		HMDB07983	C36:4 PC-A	m135
C36:4 PC-B	8.25	782.5694	11041384		HMDB08138	C36:4 PC-B	m136
PC(36:3)	8.35	784.585	126527104		HMDB08105	C36:3 PC	m137
PC(36:2)	8.68	786.6007	114563519		HMDB08039	C36:2 PC	m138
PC(36:1)	8.97	788.6165	126527038		HMDB08038	C36:1 PC	m139
PC(36:0)	9.25	790.631	10226357		HMDB08036	C36:0 PC	m140
PC(38:6)	8.17	806.5693	114564511		HMDB07991	C38:6 PC	m141
PC(38:4)	8.7	810.6006	126527048		HMDB08048	C38:4 PC	m142
PC(38:3)	8.84	812.6162	126527047		HMDB08047	C38:3 PC	m143
PC(38:2)	9.06	814.6321	126527269		HMDB08270	C38:2 PC	m144
PC(40:10)	7.85	826.5382	123061237		HMDB08511	C40:10 PC	m145
PC(40:9)	8.17	828.5511	123061398		HMDB08731	C40:9 PC	m146
PC(40:6)	8.64	834.6007	126527057		HMDB08057	C40:6 PC	m147
PC(P-34:2)/PC(O-34:3)	8.52	742.5744	126529783		HMDB11211	C34:3 PC plasmalogen	m148
PC(P-34:1)/PC(O-34:2)	8.82	744.5917	126529782		HMDB11210	C34:2 PC plasmalogen	m149
C34:1 PC plasmalogen-A	8.82	746.6049	123061499		HMDB11208	C34:1 PC plasmalogen-A	m150
PC(P-16:0/20:4)/PC(O-16:1/20:4)	8.52	766.5743	126529792		HMDB11220	C36:5 PC plasmalogen-B	m151
PC(P-36:3)/PC(O-36:4)	8.84	768.5862	126529870		HMDB11310	C36:4 PC plasmalogen	m152
PC(P-36:2)/PC(O-36:3)	8.95	770.6055	123061527		HMDB11244	C36:3 PC plasmalogen	m153
PC(P-36:1)/PC(O-36:2)	8.97	772.6216	126529811		HMDB11243	C36:2 PC plasmalogen	m154
PC(P-36:0)/PC(O-36:1)	9.26	774.6367	123061526		HMDB11241	C36:1 PC plasmalogen	m155
PC(P-38:6)/PC(O-38:7)	8.45	790.5751	126529801		HMDB11229	C38:7 PC plasmalogen	m156
PC(P-38:5)/PC(O-38:6)	8.66	792.5883	126529879		HMDB11319	C38:6 PC plasmalogen	m157
PE(32:1)	8.06	690.5071	123062474		HMDB08924	C32:1 PE	m158
PE(32:0)	7.74	692.5226	10299701		HMDB08923	C32:0 PE	m159
PE(34:2)	8.21	716.5226	120908251		HMDB08928	C34:2 PE	m160
PE(34:0)	8.13	720.5539	113905169		HMDB08925	C34:0 PE	m161
PE(36:4)	8.25	740.5219	126527936		HMDB08937	C36:4 PE	m162
PE(36:3)	8.36	742.5381	126528059		HMDB09060	C36:3 PE	m163
PE(36:2)	8.68	744.554	126527993		HMDB08994	C36:2 PE	m164
PE(36:1)	8.97	746.57	126527992		HMDB08993	C36:1 PE	m165
PE(36:0)	8.61	748.5852	10300002		HMDB08991	C36:0 PE	m166
PE(38:6)	8.18	764.5227	123062438		HMDB09102	C38:6 PE	m167
PE(38:5)	8.39	766.5373	123062442		HMDB09069	C38:5 PE	m168
PE(38:4)	8.7	768.5572	110522913		HMDB09003	C38:4 PE	m169
PE(38:2)	8.45	772.5852	123061759		HMDB08942	C38:2 PE	m170
PE(40:6)	8.64	792.5555	126528011		HMDB09012	C40:6 PE	m171
PE(P-34:2)/PE(O-34:3)	8.52	700.5275	123062681		HMDB11343	C34:3 PE plasmalogen	m172
PE(P-34:1)/PE(O-34:2)	8.82	702.543	126527951		HMDB08952	C34:2 PE plasmalogen	m173
PE(P-36:4)/PE(O-36:5)	8.55	724.5369	126529955		HMDB11410	C36:5 PE plasmalogen	m174
PE(P-36:3)/PE(O-36:4)	8.65	726.5431	126529983		HMDB11442	C36:4 PE plasmalogen	m175
PE(P-36:2)/PE(O-36:3)	8.96	728.5589	126529982		HMDB11441	C36:3 PE plasmalogen	m176
PE(P-36:1)/PE(O-36:2)	9.25	730.5749	126528081		HMDB09082	C36:2 PE plasmalogen	m177
PE(P-38:6)/PE(O-38:7)	8.47	748.5284	126529965		HMDB11420	C38:7 PE plasmalogen	m178
PE(P-38:5)/PE(O-38:6)	8.7	750.5425	123062643		HMDB11387	C38:6 PE plasmalogen	m179
PE(P-38:4)/PE(O-38:5)	9	752.5582	126529935		HMDB11386	C38:5 PE plasmalogen	m180
PE(P-40:6)/PE(O-40:7)	8.91	776.5585	126529943		HMDB11394	C40:7 PE plasmalogen	m181
Sphingosine	4.85	300.2899	103115769		HMDB00252	sphingosine	m182
Cer(d18:1/16:0)	8.08	538.5198	103210185		HMDB04949	C16:0 Ceramide (d18:1)	m183
Cer(d18:1/22:0)	9.46	622.6133	126525262		HMDB04952	C22:0 Ceramide (d18:1)	m184
Cer(d18:1/24:0)	9.88	650.6448	126525266		HMDB04956	C24:0 Ceramide (d18:1)	m185
Cer(d18:1/24:1)	9.52	648.629	126525263		HMDB04953	C24:1 Ceramide (d18:1)	m186
SM(d18:1/14:0)	7.42	675.5436	126530600		HMDB12097	C14:0 SM	m187
SM(d18:1/16:1)	7.57	701.5592			n/a	C16:1 SM	m188
SM(d18:1/16:0)	7.92	703.5749	113860521		HMDB10169	C16:0 SM	m189
SM(d18:1/18:0)	8.42	731.601	11039040		HMDB01348	C18:0 SM	m190
SM(d18:1/20:0)	9	759.6531	103176532		HMDB12102	C20:0 SM	m191
SM(d18:1/22:1)	9.1	785.6531	123068783		HMDB12104	C22:1 SM	m192
SM(d18:1/22:0)	9.34	787.6686	126530604		HMDB12103	C22:0 SM	m193
SM(d18:1/24:1)	9.38	813.6844	126530607		HMDB12107	C24:1 SM	m194
SM(d18:1/24:0)	9.76	815.7	113860536		HMDB11697	C24:0 SM	m195
CE(16:1)	11.57	640.6027	126523458		HMDB00658	C16:1 CE	m196
CE(16:0)	11.87	642.6188	103823144	C11251	HMDB00885	C16:0 CE	m197
CE(18:3)	11.37	664.6031	114552155		HMDB10370	C18:3 CE	m198
CE(18:2)	11.66	666.6185	11041358	C15441	HMDB00610	C18:2 CE	m199
CE(18:1)	11.95	668.6343	103749903	C14641	HMDB00918	C18:1 CE	m200
CE(18:0)	12.27	670.6502	126529329		HMDB10368	C18:0 CE	m201
CE(20:5)	11.22	688.6041	126525847		HMDB06731	C20:5 CE	m202
CE(20:4)	11.51	690.6186	114532486		HMDB06726	C20:4 CE	m203
CE(20:3)	11.75	692.6341	126525850		HMDB06736	C20:3 CE	m204
CE(22:6)	11.36	714.6204	126525848		HMDB06733	C22:6 CE	m205
CE(22:5)	11.51	716.6375	126529336		HMDB10375	C22:5 CE	m206
PI(38:4)	8.43	887.5643	126528814		HMDB09815	C38:4 PI	m339
PS(34:1)	8.16	762.5316	113860263		HMDB12357	C34:1 PS	m340
PS(34:0)	7.94	764.5428	123063571		HMDB12356	C34:0 PS	m341
PS(36:2)	8.46	788.5431	126530847		HMDB12380	C36:2 PS	m342
PS(36:1)	8.64	790.5636	126529155		HMDB10163	C36:1 PS	m343
PS(36:0)	8.46	792.5744	126530846		HMDB12378	C36:0 PS	m344
PS(38:4)	8.52	812.5426	126530850		HMDB12383	C38:4 PS	m345
PS(18:0_22:6)	8.45	836.5436	126529159		HMDB10167	C40:6 PS	m346
TG(55:3)	12.2	921.7886			HMDB42466	C55:3 TAG	m347
TG(55:2)	12.45	923.8057			HMDB42226	C55:2 TAG	m348
TG(53:3)	11.88	893.7564			HMDB43058	C53:3 TAG	m349
TG(53:2)	12.1	895.7725			HMDB42196	C53:2 TAG	m350
TG(51:3)	11.55	871.7725	126530216		HMDB11701	C51:3 TAG	m351
TG(51:2)	11.62	869.7569	126525373		HMDB05362	C51:2 TAG	m352
TG(51:1)	12.01	853.7256			HMDB42104	C51:1 TAG	m353
TG(51:0)	12.26	865.7256			HMDB31106	C51:0 TAG	m354
TG(49:3)	11.19	837.6944			HMDB42103	C49:3 TAG	m355
TG(49:2)	11.44	839.7103	126530221		HMDB11706	C49:2 TAG	m356
TG(49:1)	11.68	841.7264	126530220		HMDB11705	C49:1 TAG	m357
TG(49:0)	11.94	843.7414			HMDB42095	C49:0 TAG	m358
TG(47:2)	11.09	811.6789			HMDB42076	C47:2 TAG	m359
TG(47:1)	11.36	813.6944			HMDB42100	C47:1 TAG	m360
TG(47:0)	11.6	815.7101			HMDB42094	C47:0 TAG	m361
TG(45:1)	11.01	785.6633			HMDB42099	C45:1 TAG	m362
TG(45:0)	11.25	787.6787			HMDB42093	C45:0 TAG	m363
TG(43:2)	10.59	755.6134			HMDB43169	C43:2 TAG	m364
METABOLITES_END
#END