#METABOLOMICS WORKBENCH AF_20230406_070022 DATATRACK_ID:3848 STUDY_ID:ST002545 ANALYSIS_ID:AN004192 PROJECT_ID:PR001639
VERSION             	1
CREATED_ON             	April 7, 2023, 9:04 am
#PROJECT
PR:PROJECT_TITLE                 	Lipidomic profiles of Toxoplasma gondii-infected mice
PR:PROJECT_SUMMARY               	Cachexia is a life-threatening disease characterized by chronic, inflammatory
PR:PROJECT_SUMMARY               	muscle wasting and systemic metabolic impairment. Despite its high prevalence,
PR:PROJECT_SUMMARY               	there are no efficacious therapies for cachexia. Mice chronically infected with
PR:PROJECT_SUMMARY               	the protozoan parasite Toxoplasma gondii represent a novel animal model
PR:PROJECT_SUMMARY               	recapitulating the chronic kinetics of cachexia. To understand how perturbations
PR:PROJECT_SUMMARY               	to metabolic tissue homeostasis influence circulating metabolite availability we
PR:PROJECT_SUMMARY               	used mass spectrometry analysis. Despite the significant reduction in
PR:PROJECT_SUMMARY               	circulating triacylglycerides, nonesterified fatty acids, and glycerol,
PR:PROJECT_SUMMARY               	sphingolipid long-chain bases and a subset of phosphatidylcholines (PCs) were
PR:PROJECT_SUMMARY               	significantly increased in the sera of mice with T. gondii infection-induced
PR:PROJECT_SUMMARY               	cachexia. In addition, the TCA cycle intermediates -ketoglutarate, 2-
PR:PROJECT_SUMMARY               	hydroxyglutarate, succinate, fumarate, and malate were highly depleted in
PR:PROJECT_SUMMARY               	cachectic mouse sera. Sphingolipids and their de novo synthesis precursors PCs
PR:PROJECT_SUMMARY               	are the major components of the mitochondrial membrane and regulate
PR:PROJECT_SUMMARY               	mitochondrial function consistent with a causal relationship in the energy
PR:PROJECT_SUMMARY               	imbalance driving T. gondii-induced chronic cachexia.
PR:INSTITUTE                     	University of Virginia
PR:LAST_NAME                     	Feng
PR:FIRST_NAME                    	Tzu-Yu
PR:ADDRESS                       	345 Crispell Dr.
PR:EMAIL                         	ttf4ye@virginia.edu
PR:PHONE                         	7022174454
#STUDY
ST:STUDY_TITLE                   	Lipidomic profile of Toxoplasma gondii-infected mice (Positive mode MS)
ST:STUDY_SUMMARY                 	Cachexia is a life-threatening disease characterized by chronic, inflammatory
ST:STUDY_SUMMARY                 	muscle wasting and systemic metabolic impairment. Despite its high prevalence,
ST:STUDY_SUMMARY                 	there are no efficacious therapies for cachexia. Mice chronically infected with
ST:STUDY_SUMMARY                 	the protozoan parasite Toxoplasma gondii represent a novel animal model
ST:STUDY_SUMMARY                 	recapitulating the chronic kinetics of cachexia. To understand how perturbations
ST:STUDY_SUMMARY                 	to metabolic tissue homeostasis influence circulating metabolite availability we
ST:STUDY_SUMMARY                 	used mass spectrometry analysis. Despite the significant reduction in
ST:STUDY_SUMMARY                 	circulating triacylglycerides, nonesterified fatty acids, and glycerol,
ST:STUDY_SUMMARY                 	sphingolipid long-chain bases and a subset of phosphatidylcholines (PCs) were
ST:STUDY_SUMMARY                 	significantly increased in the sera of mice with T. gondii infection-induced
ST:STUDY_SUMMARY                 	cachexia. In addition, the TCA cycle intermediates -ketoglutarate, 2-
ST:STUDY_SUMMARY                 	hydroxyglutarate, succinate, fumarate, and malate were highly depleted in
ST:STUDY_SUMMARY                 	cachectic mouse sera. Sphingolipids and their de novo synthesis precursors PCs
ST:STUDY_SUMMARY                 	are the major components of the mitochondrial membrane and regulate
ST:STUDY_SUMMARY                 	mitochondrial function consistent with a causal relationship in the energy
ST:STUDY_SUMMARY                 	imbalance driving T. gondii-induced chronic cachexia.
ST:INSTITUTE                     	University of Virginia
ST:LAST_NAME                     	Feng
ST:FIRST_NAME                    	Tzu-Yu
ST:ADDRESS                       	345 Crispell Dr.
ST:EMAIL                         	ttf4ye@virginia.edu
ST:PHONE                         	702-217-4454
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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           	-	Toxoplasma infected-7	Factor:Infected	RAW_FILE_NAME=Ewald001_posCSH_15 (Cage 6, Mouse 3)_015.d
SUBJECT_SAMPLE_FACTORS           	-	Uninfected-3	Factor:Uninfected	RAW_FILE_NAME=Ewald002_posCSH_3 (Cage 1, Mouse 4)_003.d
SUBJECT_SAMPLE_FACTORS           	-	Toxoplasma infected-1	Factor:Infected	RAW_FILE_NAME=Ewald003_posCSH_9 (Cage 3, Mouse 1)_009.d
SUBJECT_SAMPLE_FACTORS           	-	Uninfected-2	Factor:Uninfected	RAW_FILE_NAME=Ewald004_posCSH_2 (Cage 1, Mouse 2)_002.d
SUBJECT_SAMPLE_FACTORS           	-	Uninfected-5	Factor:Uninfected	RAW_FILE_NAME=Ewald005_posCSH_5 (Cage 2, Mouse 2)_005.d
SUBJECT_SAMPLE_FACTORS           	-	Uninfected-7	Factor:Uninfected	RAW_FILE_NAME=Ewald006_posCSH_7 (Cage 2, Mouse 4)_007.d
SUBJECT_SAMPLE_FACTORS           	-	Toxoplasma infected-2	Factor:Infected	RAW_FILE_NAME=Ewald007_posCSH_10 (Cage 3, Mouse 2)_010.d
SUBJECT_SAMPLE_FACTORS           	-	Toxoplasma infected-4	Factor:Infected	RAW_FILE_NAME=Ewald008_posCSH_12 (Cage 3, Mouse 4)_012.d
SUBJECT_SAMPLE_FACTORS           	-	Uninfected-8	Factor:Uninfected	RAW_FILE_NAME=Ewald009_posCSH_8 (Cage 2, Mouse 5)_008.d
SUBJECT_SAMPLE_FACTORS           	-	Uninfected-1	Factor:Uninfected	RAW_FILE_NAME=Ewald010_posCSH_1 (Cage 1, Mouse 1)_001.d
SUBJECT_SAMPLE_FACTORS           	-	Toxoplasma infected-3	Factor:Infected	RAW_FILE_NAME=Ewald011_posCSH_11 (Cage 3, Mouse 3)_011.d
SUBJECT_SAMPLE_FACTORS           	-	Uninfected-6	Factor:Uninfected	RAW_FILE_NAME=Ewald012_posCSH_6 (Cage 2, Mouse 3)_006.d
SUBJECT_SAMPLE_FACTORS           	-	Toxoplasma infected-6	Factor:Infected	RAW_FILE_NAME=Ewald013_posCSH_14 (Cage 4, Mouse 5)_014.d
SUBJECT_SAMPLE_FACTORS           	-	Toxoplasma infected-5	Factor:Infected	RAW_FILE_NAME=Ewald014_posCSH_13 (Cage 3, Mouse 5)_013.d
SUBJECT_SAMPLE_FACTORS           	-	Toxoplasma infected-8	Factor:Infected	RAW_FILE_NAME=Ewald015_posCSH_16 (Cage 6, Mouse 5)_016.d
SUBJECT_SAMPLE_FACTORS           	-	Uninfected-4	Factor:Uninfected	RAW_FILE_NAME=Ewald016_posCSH_4 (Cage 2, Mouse 1)_004.d
#COLLECTION
CO:COLLECTION_SUMMARY            	At 7 weeks post-infection, isoflurane-anesthetized mice were retro-orbitally
CO:COLLECTION_SUMMARY            	bled and sera was flash frozen and sent to the National Institute of Health
CO:COLLECTION_SUMMARY            	(NIH) West Coast Metabolomics Center (UC Davis) for untargeted mass spectrometry
CO:COLLECTION_SUMMARY            	analysisusing the primary metabolism assay (ALEXCIS GCTOF-MS) or the complex
CO:COLLECTION_SUMMARY            	lipids (CSH-QTOF MS) assay. Detected meatbolites were identified based on
CO:COLLECTION_SUMMARY            	retention time and mass spectra from MassBank of North America, curated by the
CO:COLLECTION_SUMMARY            	NIH West Coast Metabolomics Center , and reported as raw peak heights. The raw
CO:COLLECTION_SUMMARY            	peak heights from each analytical platform were normalized to the average peak
CO:COLLECTION_SUMMARY            	heights of the identified metabolites in uninfected group. The resulting data
CO:COLLECTION_SUMMARY            	were analyzed for fold-change and multiple unpaired t-test and visualized using
CO:COLLECTION_SUMMARY            	volcano plots to identify the differential expression of metabolites in response
CO:COLLECTION_SUMMARY            	to T. gondii-induced cachexia
CO:SAMPLE_TYPE                   	Blood (serum)
#TREATMENT
TR:TREATMENT_SUMMARY             	To generate cysts for infection, 8-10 week female CBA/J mice were infected with
TR:TREATMENT_SUMMARY             	10 Me49 bradyzoite cysts by intraperitoneal injection. 4–8 weeks following
TR:TREATMENT_SUMMARY             	infection, mice were euthanized by CO2 inhalation and cysts were harvest from
TR:TREATMENT_SUMMARY             	brains homogenate passed through a 70 μm filter. Homegenate was washed 3 times
TR:TREATMENT_SUMMARY             	in PBS, stained with dolichos biflorus agglutinin conjugated to FITC (Vector
TR:TREATMENT_SUMMARY             	labs) at a 1:500 dilution. The number of cysts were determined by counting
TR:TREATMENT_SUMMARY             	FITCpositive cysts at 20x magnification using an EVOS FL imaging system (Thermo
TR:TREATMENT_SUMMARY             	Fisher). For experimental infections 10–14-week-old male C57BL/6 mice were
TR:TREATMENT_SUMMARY             	infected with 10 Me49 bradyzoite cysts by intraperitoneal infection resuspended
TR:TREATMENT_SUMMARY             	in 200 Μl PBS per mouse using a 5G 5/8” tuberculin syringe. Prior to
TR:TREATMENT_SUMMARY             	infection, mice were cross-housed on dirty, wood chip bedding for two weeks to
TR:TREATMENT_SUMMARY             	normalize commensal microbiota and limit the effect of eating corn husk bedding
TR:TREATMENT_SUMMARY             	on dietary metabolites. At experimental endpoints, mice were fasted for 4 hours
TR:TREATMENT_SUMMARY             	and isoflurane anaesthetized to isolate sera via retro-orbital bleed and/or
TR:TREATMENT_SUMMARY             	euthanized by CO2 asphyxiation to harvest tissues for weighing and histological
TR:TREATMENT_SUMMARY             	analysis.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	At 7 weeks post-infection, isoflurane-anesthetized mice were retro-orbitally
SP:SAMPLEPREP_SUMMARY            	bled and sera was flash frozen and sent to the National Institute of Health
SP:SAMPLEPREP_SUMMARY            	(NIH) West Coast Metabolomics Center (UC Davis) for untargeted mass spectrometry
SP:SAMPLEPREP_SUMMARY            	analysisusing the primary metabolism assay (ALEXCIS GCTOF-MS) or the complex
SP:SAMPLEPREP_SUMMARY            	lipids (CSH-QTOF MS) assay. Detected meatbolites were identified based on
SP:SAMPLEPREP_SUMMARY            	retention time and mass spectra from MassBank of North America, curated by the
SP:SAMPLEPREP_SUMMARY            	NIH West Coast Metabolomics Center , and reported as raw peak heights (Table S1
SP:SAMPLEPREP_SUMMARY            	and S3). The raw peak heights from each analytical platform were normalized to
SP:SAMPLEPREP_SUMMARY            	the average peak heights of the identified metabolites in uninfected group. The
SP:SAMPLEPREP_SUMMARY            	resulting data were analyzed for fold-change and multiple unpaired t-test and
SP:SAMPLEPREP_SUMMARY            	visualized using volcano plots to identify the differential expression of
SP:SAMPLEPREP_SUMMARY            	metabolites in response to T. gondii-induced cachexia
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity
CH:COLUMN_NAME                   	Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um)
CH:SOLVENT_A                     	60% water/40% acetonitrile; 5 mM ammonium formate; 0.1% formic acid
CH:SOLVENT_B                     	90% isopropanol/10% methanol; 5 mM ammonium formate; 0.1% formic acid
CH:FLOW_GRADIENT                 	15%-99%
CH:FLOW_RATE                     	0.6 ml/min
CH:COLUMN_TEMPERATURE            	65
#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                   	Samples extracted using Matyash extraction procedure which includes MTBE, MeOH,
MS:MS_COMMENTS                   	and H2O. The organic (upper) phase was dried down and submitted for resuspension
MS:MS_COMMENTS                   	and injection onto the LC while the aqueous (bottom) phase was dried down and
MS:MS_COMMENTS                   	submitted to derivatization for GC. They are resuspended with 110 uL of a
MS:MS_COMMENTS                   	solution of 9:1 methanol: toluene and 50 ng/mL CUDA. This is then shaken for 20
MS:MS_COMMENTS                   	seconds, sonicated for 5 minutes at room temperature, and then centrifuged for 2
MS:MS_COMMENTS                   	minutes at 16100 rcf. The samples are then aliquoted into three parts. 33 uL are
MS:MS_COMMENTS                   	aliquoted into a vial with a 50 uL glass insert for positive and negative mode
MS:MS_COMMENTS                   	lipidomics. The last part is aliquoted into an eppendorf tube to be used as a
MS:MS_COMMENTS                   	pool. The samples are then loaded up on an Agilent 1290 Infinity LC stack. The
MS:MS_COMMENTS                   	positive and negative mode were run on an Agilent 6530 with a scan range of m/z
MS:MS_COMMENTS                   	120-1200 Da with an acquisition speed of 2 spectra/s. Between 0.5 and 2 uL were
MS:MS_COMMENTS                   	injected onto a Waters ACQUITY UPLC CSH C18 1.7um 2.1x100mm Column with VanGuard
MS:MS_COMMENTS                   	PreColumn 2.1x5 mm . The gradient used is 0 min 15% (B), 0–2 min 30% (B),
MS:MS_COMMENTS                   	2–2.5 min 48% (B), 2.5–11 min 82% (B), 11–11.5 min 99% (B), 11.5–12 min
MS:MS_COMMENTS                   	99% (B), 12–12.1 min 15% (B), 12.1–15 min 15% (B) with a flow rate of 0.6
MS:MS_COMMENTS                   	mL/min. The mass resolution for the Agilent 6530 is 10,000 for ESI (+).
MS:MS_RESULTS_FILE               	ST002545_AN004192_Results.txt	UNITS:reads	Has m/z:No	Has RT:No	RT units:No RT data
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Reads
MS_METABOLITE_DATA_START
Samples	Uninfected-1	Uninfected-2	Uninfected-3	Uninfected-4	Uninfected-5	Uninfected-6	Uninfected-7	Uninfected-8	Toxoplasma infected-1	Toxoplasma infected-2	Toxoplasma infected-3	Toxoplasma infected-4	Toxoplasma infected-5	Toxoplasma infected-6	Toxoplasma infected-7	Toxoplasma infected-8
Factors	Factor:Uninfected	Factor:Uninfected	Factor:Uninfected	Factor:Uninfected	Factor:Uninfected	Factor:Uninfected	Factor:Uninfected	Factor:Uninfected	Factor:Infected	Factor:Infected	Factor:Infected	Factor:Infected	Factor:Infected	Factor:Infected	Factor:Infected	Factor:Infected
18:1 Cholesteryl ester;	45944	64606	57462	63555	65250	57078	72837	51954	86956	70369	91719	88317	72596	108695	127270	81111
18:2 Cholesteryl ester;	1103248	2006152	1840403	2129721	2106436	1826298	2138802	1942579	1059626	1766097	1677231	1807153	1553756	1878248	1821958	2011371
20:4 Cholesteryl ester;	544238	859805	728454	760858	663247	584831	934234	821949	518256	653562	810200	671480	524596	734468	870077	700464
22:6 Cholesteryl ester;	197201	457129	419810	458058	422982	361177	532177	490825	281258	425331	423590	406321	341380	495408	509584	531772
Cholesteryl ester(16:1)	11067	15322	14821	23994	19409	16257	18095	22359	10257	15540	14167	24285	16205	27457	28130	13111
Cholesteryl ester(18:3)	21004	35564	33179	29443	30201	31334	31518	26607	20513	29413	26610	30946	25392	29184	30860	29214
acylcarnitine (16:0)	102322	53471	61856	50714	72723	80694	53046	51382	41453	58610	44707	42783	46313	68925	55346	44850
acylcarnitine(14:1)	11518	4260	4126	5824	3704	7141	5103	3681	5430	3373	3405	3183	5038	4058	5251	3397
acylcarnitine(14:2)	12140	3928	4291	3733	5155	7263	3998	3552	4015	3655	4313	3437	2920	3702	6350	3419
acylcarnitine(18:0)	13039	9904	9597	8141	10894	11013	8809	8628	7607	9595	8510	8618	8002	9948	10359	11526
acylcarnitine(18:1)	87997	39841	45485	41466	56854	63003	47608	39134	32537	34571	34956	27391	31062	41052	44429	26920
acylcarnitine(18:2)	82902	29490	38897	36088	46075	57995	37031	28357	29018	27214	25425	20608	24290	28879	41917	20709
Cer(d40:1)	11276	24817	31681	19378	25127	26659	16570	19054	9126	18642	10169	11129	14930	13796	9023	17155
Cer(d41:1)	4538	6971	7576	6056	6885	5827	5272	6513	5857	5986	5215	6544	5819	5280	6719	6128
Cer(d42:1)	12477	26855	32993	21257	30362	30649	19444	20058	17271	27470	17356	22419	25196	23932	17293	24390
Cer(d42:2) A	22011	27528	29445	26802	34583	28842	29479	28500	17748	24250	18174	22460	24540	23524	26386	19461
Cer(d42:2) B	11261	12410	11716	10893	16478	11526	11259	16326	13347	12735	8033	12799	11525	8956	15564	7813
Cholesterol	71500	68170	68500	68388	67438	69798	65442	64335	69221	70125	68114	70188	70297	67487	66871	70604
DG(34:2)	2325	4855	5528	5723	6989	4410	4901	7754	3326	5371	3800	4469	6476	4666	4152	5270
DG(36:3)	5812	11407	20463	23144	27145	13072	18921	27856	7915	9905	7797	10257	22773	8549	10654	9096
DG(36:4) A	5444	12465	11236	11791	19771	13927	10725	15313	7418	10696	7112	9866	13228	9771	8441	10541
DG(38:6)	3193	4380	6076	4392	6142	4638	5347	6157	3651	3262	3345	3301	5448	3269	4652	4661
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0)	1389	1260	1861	1157	1743	1434	1463		3265	4175	4469	4372	3708	4388	5080	4825
GlcCer(d40:1)	8799	15668	16979	14399	15360	9006	13792	13383	5176	8670	7732	7975	8012	6322	7949	8161
GlcCer(d42:1)	5411	7103	8246	6684	7820	6672	6777	6337	5391	6468	6715	6668	7397	6513	8306	7029
GlcCer(d42:2)	14553	13450	12448	14132	13974	11757	16833	15475	11725	11380	12420	15284	13279	12396	20756	12454
LPC (17:1)	12498	16641	18381	29620	21554	18099	26457	24990	7573	12386	9381	11396	12869	9964	16968	7927
LPC (20:0)	33001	78168	80297	78525	87715	79104	64595	67646	11226	49555	18053	22751	34079	29593	17691	42060
LPC (20:1)	33825	43423	41261	60943	52437	41916	52196	58140	15478	31295	21437	24342	27184	27802	31581	20205
LPC (20:2)	31941	33266	33234	49304	45052	38530	46668	47971	30839	32029	31205	35432	35597	39648	54484	27252
LPC (22:4)	12338	12594	10385	22437	16629	15064	17813	19561	9806	12945	13059	18908	15006	18521	22229	11270
LPC (22:6)	1186985	1527399	1361638	1954151	1607960	1770875	1851864	1936818	735324	1144420	943781	1088700	954396	1259025	1438174	1238322
LPC (o-16:0)	13001	18176	15989	18090	17907	15293	20770	16516	13536	14506	13942	11469	16144	16188	17495	13481
LPC (p-16:0) or LPC (o-16:1)			5697		9484									7262	5524	
LPC (p-18:0) or LPC (o-18:1)	6762	10529	9332	10187	10237	7036	11837	9618	8861	8460	8940	6963	9484	8788	11395	7885
LPC(14:0)	17012	13924	14958	18080	16468	15899	18960	19285	10861	13941	13602	17249	14243	13427	15982	11156
LPC(15:0)	55315	63802	62097	63392	61973	57070	71597	61972	30915	39413	33879	32367	42732	29128	46039	39158
LPC(16:0)	7352981	8973751	9294215	9526046	9595817	9423499	9632433	9194489	7032595	8511020	8004002	8155301	8557979	8756594	8187516	8952773
LPC(16:1)	105315	135968	147420	224566	178735	154975	190372	226355	52050	101315	72771	109515	103913	120317	140186	77828
LPC(18:0)	2883339	4688070	4962053	4808398	5150354	4574650	5244569	5414047	4456902	5140851	5683331	5470407	4816055	5928598	4984450	6396182
LPC(18:1)	1374909	1719559	1805165	3043952	2397499	2169149	2823277	2817704	787306	1431664	1242890	1810960	1547658	2093404	2325688	1041743
LPC(18:2)	6306119	6987580	7074690	7903050	7674125	7915770	7770915	7448678	4302335	6578690	5386165	6404964	6066038	5930794	6495196	6173091
LPC(18:3)	40962	36904	37587	41749	39790	48711	38314	35008	15502	27656	20717	29650	27230	25324	31963	23684
LPC(20:3)	184010	271187	237703	463052	312991	318916	330886	404398	117399	204634	170877	245692	175703	270544	188646	175215
LPC(20:4)	2995076	2577488	2362548	2905367	2646231	2637920	3154856	3096428	1385469	1889208	1759004	1907800	1541477	1826472	2402343	1792148
LPC(20:5)	18405	25631	24374	34648	28344	26194	24316	35669	19073	23710	17780	38532	24971	28407	26958	21561
LPC(22:5)	22164	40628	43272	76798	58615	58446	49746	62180	32539	57453	42922	70896	50163	80789	56044	50647
LPE(18:0)	11706	13049	12514	13133	15226	13001	14951	14042	12854	14406	13815	15109	15662	18039	13455	16902
LPE(18:2)	41152	51759	38368	58421	61593	50827	46513	50614	21472	35685	25371	44831	48045	33660	37106	38299
LPE(20:4)	62660	100182	72739	109279	106704	98775	101796	108533	44960	62525	54591	74689	80898	60936	71551	58905
PC (37:3)	14703	20765	15949	31057	26062	16076	32470	32991	12858	17748	20377	24445	19834	17637	45257	14005
PC (39:6)	35967	60831	54391	55093	53444	45967	66675	56759	45274	49295	53647	47826	40822	37795	61550	63115
PC (42:5)	2105	5611	4378	2795	4517	4287	2512	4813	2136	3617	3151	3453	3391	3508	2463	1394
PC (42:6)	3213	2052	3703	4606	4589	2322	1920	5389	2484	3406	3772	4686	3393	5004	3945	4025
PC (p-32:0) or PC (o-32:1)	5506	7954	7062	6990	10045	7209	2793	6743	4028	6754	5729	5766	5219	5186	5788	7508
PC (p-36:3) or PC (o-36:4)	47657	81110	65847	79532	83337	54340	93503	74650	33427	55421	55800	47518	52382	52869	87079	42750
PC (p-38:2) or PC (o-38:3)	1710	3032	2699	2866	2971	2670	2839	3552	2142	2423	2781	2727	2365	2995	2856	2571
PC 40:9;	506276	684239	633608	678616	722135	680236	734485	711443	424897	576617	578926	572034	560627	582390	625207	653706
PC(30:0)	36056	35238	39286	34217	56893	30238	36019	36905	30321	59633	40905	58809	50376	54354	62707	44530
PC(31:0)	7865	9437	7926	9226	10868	7453	9883	9206	5152	8922	6416	6994	8918	6122	11556	6718
PC(32:0)	319679	393594	356584	420946	593880	377868	467337	415056	291732	570223	406939	456031	496184	514374	500708	439800
PC(32:1)	95810	163640	139639	205499	215130	144054	185098	219278	49896	122719	92351	175050	143400	150716	190983	101598
PC(32:2)	15449	23731	19706	27751	28513	22475	26307	30408	8052	15549	13415	26113	18956	14771	23859	12557
PC(33:0)	4605	3766	3734	4943	4278	3684	5869	4784	2947	3817	3141	3336	3550	3656	5374	2186
PC(33:1)	23113	48458	42391	64679	61552	41996	63014	61445	14444	27937	21095	39107	36672	30441	43466	20540
PC(33:2)	60963	114477	92751	95374	111473	87182	106619	94075	37145	66710	48384	59031	69723	43051	80216	66098
PC(34:0)	51538	75150	72035	79120	99658	72088	92280	83202	59184	91383	79414	88610	76368	111899	90693	96709
PC(34:1)	3422119	5535407	5365148	6520112	6266946	5860179	6073467	6195226	2932442	4824610	4314313	5950095	5735113	6245731	5155482	4448440
PC(34:2)	8984787	11283046	11073790	11357214	11628542	11293218	11351720	11043753	7910362	10459147	9608233	10881716	10659680	10326992	10299688	10913378
PC(34:3) A	141322	374301	322052	428143	512518	350898	479242	536555	66988	200130	127669	267965	211157	219166	341488	152586
PC(34:3) B	89866	285483	248966	323107	411793	2031	399705	448553	41339	134235	79976	175202	140816	183578	256158	92019
PC(34:3) C	82062	148918	125695	121419	145736	141121	129107	115464	32974	81497	58789	109884	84109	84075	102780	81432
PC(34:4)	4795	6330	5041	6799	7264	4560	7283	7313	3059	3967	3627	5834	4510	3419	6060	3011
PC(35:1)	19811	30516	26230	40509	34642	27355	39221	38395	15961	25625	23637	31483	26213	28188	27502	23124
PC(35:2) A	30293	41192	37947	57270	46751	30692	62667	73377	15854	28902	28234	30474	28808	20883	39395	26900
PC(35:2) B	136380	201651	171025	214002	222394	156682	238760	220666	103755	163874	175146	178944	158238	116256	188324	193582
PC(35:3)	70830	129110	108071	141500	151623	105432	162380	142503	37439	79480	63661	84941	87485	53470	121963	61294
PC(35:4)	10712	16824	11423	12598	15312	11276	17649	14447	5380	8630	7153	7836	7848	4619	12387	7073
PC(36:1)	322078	506393	465614	679787	637091	531730	647651	705457	276616	479383	525171	800807	569501	1036734	591157	528484
PC(36:2)	6454773	8025840	7492174	8122075	8571014	7637618	8445077	8435474	6009602	7843648	8090700	8665237	7874250	7810475	7846480	8496192
PC(36:3) A	2318051	2931501	2512442	3669113	3528432	2767973	3998927	4027849	1572038	2545419	2632991	3241556	2980835	2549287	4637477	2118907
PC(36:3) B	902369	1967040	1510659	2587840	2302151	1796942	2381972	2614812	523765	1169999	913532	1630970	1267042	1636781	822354	1106823
PC(36:4) A	434645	746994	609304	776582	997175	771317	1022895	815193	266437	595583	537938	676821	582982	356801	766785	557555
PC(36:4) B	122766	161321	143582	184587	198128	169706	193435	60088	77019	136369	123532	190628	152528	132691	189836	118499
PC(36:4) C	4609300	6741166	5415874	5858758	6395866	5591026	6947642	6675283	2997350	4540997	4196746	4912367	4603902	4335727	5891157	4588999
PC(36:5) C	33996	54162	13078	60928	60018	42685	73152	78531	11786	29275	22569	36376	27955	27906	55452	19251
PC(36:5) D	39990	117726	99674	143604	147701	106455	122682	167376	40602	85691	57754	160430	98658	102666	118425	80388
PC(36:5)A	24283	57133	46437	47448	65629	60939	58958	51696	20037	38888	32906	47788	39399	33670	55640	44277
PC(37:2)	78215	79201	71816	104892	100036	61780	99524	81107	24766	54091	42616	46970	41746	27421	51602	44154
PC(37:4)	50311	78906	54595	64249	68352	50363	88749	81451	35055	43941	45688	50982	40567	36095	73855	45253
PC(37:6)	7632	12440	8800	10665	10796	9713	14180	11549	6350	7274	5805	7627	6607	5251	10425	6785
PC(38:1)	11229	19015	16314	16938	20445	15351	18531	18385	7924	13673	9001	12067	11298	17043	9880	12254
PC(38:2)	47090	101731	93802	102920	120395	96981	87509	94504	34119	59428	44049	59668	54652	60732	54579	58690
PC(38:3)	235885	552455	409146	655194	566570	465314	610051	794683	325948	435806	538742	742179	433756	798497	399047	583675
PC(38:4) A	44897	56196	139736	304224	263526	167231	295141	365715	21436	131302	129844	240116	172290	219510	306923	33916
PC(38:4) B	19731	40547	32974	62816	99339	71911	105830	108537	32494	82090	102111	74245	59171	64715	140434	49853
PC(38:4) C	2812488	4294722	3339623	3156227	3777706	3278062	4252955	4272864	3402861	3311426	4261424	4015559	3143456	3832933	4699926	4159222
PC(38:5) A	1145667	1507320	1188719	1653823	1614156	1214914	1915464	2000748	833895	1243796	1258560	1644184	1292881	1459253	2512575	996668
PC(38:5) B	100387	170354	71525	156740	218831	93751	113982	251263	96711	62026	151845	276725	178344	134900	275312	147052
PC(38:6) A	184182	345820	284679	316510	421924	320720	479316	415432	118598	209290	202236	209173	172177	157544	352153	170489
PC(38:6) B	5784992	8233263	7396866	7949332	8175728	7696331	8659899	8440484	5219254	6969940	6769322	7022510	6707755	7037990	7988214	7477437
PC(38:7)	23573	52861	45235	72363	60456	44457	75448	84735	14184	32167	26180	42586	34275	38384	62659	26336
PC(39:4)	20635	24349	20509	22024	23569	15131	26331	23639	9069	14164	10875	11675	10890	8967	15471	12882
PC(40:4)	9111	14920	12818	17810	10037	12704	9471	18837	19839	18525	24735	29023	20625	26506	25103	20263
PC(40:5) A	126657	269616	216863	285580	296830	227463	283157	333892	187100	274966	283257	405648	263513	435472	315734	306337
PC(40:5) B	30427	23751	18575	30952	28592	20016	27169	30216	29943	25251	33467	51671	27756	44746	55300	25346
PC(40:6) A	47862	62627	20767	19940	72190	50927	75338	72831	46879	54352	58952	38927	56609	40153	136277	40463
PC(40:6)B	450497	1278537	1002283	1116520	1182984	1013038	1307340	1402601	1179533	1287670	1760829	1638592	1241153	1877212	1542140	2162215
PC(40:7) A	9575	17905	14099	17804	24909	14104	23211	28777	5981	9607	12346	15480	8934	11373	19358	6462
PC(40:7) B	1039370	1682473	1284402	1872796	1783470	1358594	2226399	2249546	972397	1280303	1514126	1651316	1457074	1506383	2634300	1247435
PC(40:8)	53572	92228	76468	88057	100986	89563	127363	102934	44033	63525	63196	56581	50718	50425	95577	59252
PC(42:10)	14590	28336	26395	33733	32418	28575	42232	38461	11610	19900	21490	19563	14510	16248	29356	18204
PC(o-32:0)	11275	18404	15026	16295	21319	12781	18953	16770	10535	17099	13654	13918	15936	17187	16567	12449
PC(p-32:1)/PC(o-32:2)	6812	7697	6967	7196	8266	7774	7234	6579	5121	6547	6578	7278	6912	5611	6196	7056
PC(p-34:1)/PC(o-34:2)	35293	64243	56139	62924	69108	51232	67957	54169	29503	48504	48115	45109	45777	46919	52265	45060
PC(p-34:2)/PC(o-34:3)	13840	21289	18775	28968	27467	20564	26327	24377	7230	11356	14665	15523	12611	10811	16613	11799
PC(p-36:1)/PC(o-36:2) A	6905	11531	12728	7639	10156	8521	9570	9327	9167	8038	6920	7733	10905	7199	9622	7270
PC(p-36:4)/PC(o-36:5)	38730	71931	55256	78501	78103	53363	91793	78315	19659	32434	38338	38575	33471	33653	47557	34288
PC(p-38:3)/PC(o-38:4) A	4918	14759	12131	4373	14978	4835	15539	12697	8079	4378	4163	5817	10906	4839	14722	3857
PC(p-38:3)/PC(o-38:4) B	11536	15855	14587	13870	14923	11810	16699	15570	9286	13120	12222	11614	11732	12376	16504	10775
PC(p-38:4)/PC(o-38:5) A	56217	109907	84626	107656	109944	73587	135380	115128	60384	82951	95068	79118	87035	72966	130751	71356
PC(p-38:5)/PC(o-38:6) A	38485	63654	52363	57886	63747	46195	72740	57380	20307	37900	35982	30733	35957	31275	54356	32659
PC(p-38:5)/PC(o-38:6) B	9939	16455	17130	10323	9429	14779	20531	15758	5803	11346	9150	9391	8995	9966	10626	8607
PC(p-38:6)/PC(o-38:7)	30550	41033	39295	39220	43429	37776	45705	37337	16495	23436	22141	20373	20040	21559	31690	26143
PC(p-40:3)/PC(o-40:4)	5232	5968	5582	5688	4789	4514	7133	6657	3071	4990	4571	4622	4085	5191	5438	4982
PC(p-40:4)/PC(o-40:5)	8925	9018	7890	11798	10917	7145	10957	9911	4093	6973	6314	6599	5586	5279	7609	5901
PC(p-40:5)/PC(o-40:6)	10491	16074	15212	14605	16708	12559	18146	15403	5999	11968	10322	9435	8553	12835	13845	11338
PC(p-40:6)/PC(o-40:7) A	17543	34883	27492	34847	33074	22842	45360	36725	11784	18794	18851	17106	20097	18118	33545	15214
PC(p-40:6)/PC(o-40:7) B	17839	24028	23607	22269	19334	20817	23688	20333	11310	15931	13690	12543	10342	13339	15714	18922
PC(p-42:4)/PC(o-42:5)	2261	2751	2794	2834	2573	2702	3114	3096	1275	2832	2625	2554	2468	2627	2941	2074
PC(p-42:5)/PC(o-42:6) A	1815	2436	2007	2299	2491	2634	2850	2295	1670	1603	1999	1062	2155	2301	2360	1385
PC(p-42:5)/PC(o-42:6) B	3494	4280	3946	3505	3213	3437	3965	3917	2119	3201	3138	2667	2677	3850	3208	3446
PE(36:2)	7367	4440		7140	13422	3011	2609	7556	4264	2666	4155	10332	12145	2162	6608	5602
PE(38:4)	9555	14299	5167	11752	30077	11161	8365	15805	8082	26691	13976	15698	22320	17484	13591	15294
PE(38:6)	8064	10340	8136	9476	22035	7708	12000	13085	4257	9351	6701	9670	13589	10494	12506	9219
PE(p-36:2)/PE(o-36:3)	4946	6316	5381	7089	6342	5631	6473	6211	3483	4868	3785	4406	4741	3865	4082	4101
PE(p-36:4)/PE(o-36:5)	6019	10836	8548	11444	17107	7584	11533	10628	5302	21134	11832	11054	13340	12057	7506	10576
PE(p-38:5)/PE(o-38:6)	4139	6500	4596	5758	8843	4365	5412	5264	3734	13115	6889	6888	8346	7690	4520	6085
SM (d37:1)	3941	3896	3740	3218	4688	2136	4415	3644	2086	4204	3431	3270	2763	3223	3526	3896
SM (d39:2)	1248	2364	2676	2538	3165	2214	2926	2357	1571	2204	1809	1676	1732	1828	1379	1784
SM(d32:1)	3449	3641	3782	3968	4221	3318	4039	4415	3123	3948	4337	5713	3840	5204	6141	3783
SM(d33:1)	12332	12388	12583	14613	14927	10797	16858	14339	9371	13176	12163	13448	9722	11656	19425	13529
SM(d34:0)	14932	18146	19407	15717	24932	15590	17913	15744	17374	31369	23636	27927	25918	29016	26980	28892
SM(d34:1)	604925	718793	648161	644374	748087	584466	737086	678269	834751	915388	938579	1100654	872323	1134979	1135048	1104632
SM(d34:2)	27045	50665	45402	50595	57828	47525	60198	51853	28897	45583	40545	44300	38900	47490	41620	45707
SM(d36:0)	1850	2827	2172	2033	3273	1526	2365	1605	2465	2969	2889	2425	1079	3432	2490	2409
SM(d36:1)	23410	35418	27812	28238	38613	28671	32003	28931	36935	34367	48565	42539	30795	52123	47662	54504
SM(d36:2)	35432	53689	42431	48150	59221	51568	55717	51121	34253	43316	53669	53695	38734	69552	52844	60897
SM(d38:1)	7883	15136	13401	11737	15493	13222	14366	12488	7361	17613	12197	13019	12315	21856	7999	21077
SM(d38:2)	10467	20954	19415	22508	26304	22280	21921	22340	12071	22343	18072	16165	15366	20121	14102	22387
SM(d39:1)	4085	9491	10458	8499	9415	8974	8199	7449	3125	6762	4026	4102	4179	4729	3668	6673
SM(d40:0)	1406	2557	2243	1964	2627	2213	1811	2320	1967	3340	2017	2485	2646	3237	2074	2966
SM(d40:1)	47803	213808	208457	142709	223515	192568	131880	131660	56935	172246	91696	115408	113764	202724	52472	210672
SM(d40:2) A	22225	43023	42339	33961	51163	38509	48318	57653	9657	33445	9172	22307	26196	41375	12232	12987
SM(d40:2) B	11562	58330	57385	48687	64271	54520	51421	49648	12068	38883	22892	27262	26632	38562	15620	39413
SM(d41:1)	12803	23010	26365	21587	25537	21620	22821	19738	24360	22406	27154	28973	18366	30745	24314	31128
SM(d41:2) A	11355	16064	15471	18326	20623	15756	18901	18163	8216	11823	9575	11496	10589	11774	11482	11953
SM(d41:2)B	3929	5347	7464	3855	5225	6709	5690	5195	5296	3692	6350	2256	2023	3069	6945	7467
SM(d42:1)	25144	81874	85683	60633	95195	85356	60432	55569	56995	85677	66387	86007	75826	118851	49718	109271
SM(d42:2)	196488	351326	312326	293603	404163	318969	327292	310985	304464	312524	348931	394414	328968	550779	331435	417365
SM(d42:3)	3024	3001	3470	6519	3657	4165	8186	6818	2569		2148	2535	10003	3124	4733	3149
TG 52:2; TG(16:0/18:1/18:1);	547931	1351202	1536115	1114064	1683311	1781593	1648708	2196823	1344079	1369716	1345367	1630032	1419477	1457456	1311833	1102377
TG 52:3; TG(16:0/18:1/18:2);	1515095	3493980	3743529	4717280	5413893	4908724	3900178	6299578	2901578	3885265	2722028	3798327	5291219	3430700	3148110	2851287
TG 53:5; TG(17:1/18:2/18:2);	11134	27189	28032	41051	48374	39026	37852	56867	14701	27018	15638	23782	32879	15542	30102	15740
TG 54:3; TG(18:0/18:1/18:2);	309048	656761	671513	704961	821873	755390	1119421	853542	474054	749231	618462	763093	674422	538255	923452	469124
TG 54:4; TG(18:1/18:1/18:2);	619752	1436533	1339810	2121068	2436521	1819425	2318745	3420281	1040241	1418249	1210311	1524562	2149240	1022654	1973239	975265
TG 54:5; TG(18:0/18:2/18:3);	745247	1829924	1473230	1820176	2688367	2246310	2146174	2847629	1239306	1812318	1283552	1772522	2178285	1271476	2077060	1576077
TG 54:7; TG(18:2/18:2/18:3);	43805	152943	107980	100561	226610	201084	100372	160407	85438	159111	73728	181416	164342	114695	138514	151769
TG 56:4; TG(18:1/18:2/20:1);	91361	168707	178619	328438	281188	166524	279760	392509	60373	230039	94038	134930	185039	113289	243926	95854
TG 56:5; TG(18:2/18:2/20:1);	69854	156021	146977	252109	265860	161097	227038	324370	68558	192464	86990	129421	177371	98128	232992	86011
TG 58:10; TG(18:2/20:4/20:4);	121967	145166	164979	103878	190812	190072	175483	186784	147001	103101	84836	96503	123147	73938	162014	124820
TG 58:11; TG(18:2/20:4/20:5);	39080	51145	63584	28180	50155	60978	41835	37357	43595	32613	24277	37366	34400	30108	42936	45773
TG 58:7; TG(18:1/18:2/22:4);	41370	47711	54913	85417	86188	56975	87934	125915	50048	49727	51585	62964	87696	41933	97328	33544
TG 60:12; TG(18:2/20:4/22:6);	73288	68299	83716	39834	64392	64935	72571	51749	78819	40657	33657	39552	42241	25624	62769	63490
TG(48:1)	36907	51418	61705	111912	92153	80702	59047	175311	36548	71922	43445	82622	92410	63934	49800	35462
TG(48:2)	19753	34797	44621	89396	78177	66615	44259	169981	21183	49435	26361	67816	71912	41245	33988	18810
TG(48:3)	6320	11594	13717	24670	26165	23757	14911	50929	6637	12655	7643	22798	19971	11629	9952	5638
TG(48:4) A	2034	1082	3074	2940	4195	4018	2686	5003	1570	1360	1695	2787	2925	2451	2415	1688
TG(49:1)	8846	11482	12666	22271	14454	11971	12830	25243	7310	12665	8596	9762	16079	8470	11843	6992
TG(50:1)	118712	170877	226449	129152	181606	189410	166984		182844	166622	198234	132701	107647	186613	192951	198203
TG(50:2)	338135	606683	731102	1341886	1225883	996119	775997	1974329	434730	918056	516094	971468	1237371	727727	645247	534160
TG(50:3) A	179072	389445	486893	800271	862559	770804	512801	1465386	230048	477900	261618	552419	662014	405861	345682	217746
TG(50:5)	2054	4517	3029	1255	4468	4832	1569	4137	2352	2001	2121	5188	3996	3669	3223	2804
TG(51:1)	7454	8452	10122	15896	9625	8104	8940	17352	6157	10552	6126	8347	13496	5802	10384	6877
TG(51:2)	18624	32142	37491	82373	56434	39645	49045	104269	20420	40429	23334	34550	58706	21931	35157	17787
TG(51:3)	22907	45880	53910	90255	74452	62563	60376	130909	27831	50150	28269	42389	73468	28169	47282	24497
TG(51:4)	15004	38936	42647	56159	60343	51370	43138	81900	19942	43385	20431	28312	54039	20909	34568	25446
TG(52:1)	28624	57593	65448	96062	67684	54053	56510	110369	36873	78793	43238	58200	100764	53186	56916	49696
TG(52:3)	22624	39611	44135	47051	51178	51338	41552	57177	37296	44425	32763	42548	53775	41687	35192	35321
TG(52:4)	1186315	3036917	3134014	3197570	4489924	4533000	2853018	4503970	2365408	3139363	1970334	2735067	3692037	2553093	2481243	2563303
TG(53:3)	19641	35051	38127	77483	59266	42028	55229	98977	23787	43023	27532	35776	60814	20000	43118	22797
TG(53:4)	22792	51198	53114	91900	88412	64241	72626	129337	31398	55260	34204	48882	73172	27557	61585	32959
TG(54:1)	12852	21510	26227	33544	22546	18495	21156	31492	10233	27793	10158	15412	28529	15371	22351	16400
TG(54:2)	51469	101046	109847	199053	140953	98291	117602	238753	53906	127048	69230	95766	157930	74159	105358	70917
TG(54:5) B	133863	192147	209894	269189	284421	226756	224916	359466	221976	215461	190247	273452	350117	199623	234887	189379
TG(54:6) B	206611	280668	328142	308818	410099	393066	294911	462950	283218	299308	204581	302136	381067	239990	317421	275152
TG(54:7) A	40952	104124	135760	105624	156765	161213	85423	173587	69183	88280	54164	99168	119445	97937	71183	81195
TG(54:8)	12220	20462	28262	25015	32238	32365	17186	37781	11582	15302	9215	19691	20722	18737	18940	11436
TG(56:1)	4060	8941	5160	5822	4602	3373	5753	5051	3142	6295	3378	3522	4170	3439	5021	3856
TG(56:2)	16088	23636	30126	40857	30204	19690	27197	35773	6977	33454	7877	17149	23779	12879	28811	16264
TG(56:3)	41416	63356	71703	141126	93454	59519	89573	151111	17499	85433	25303	42872	65095	36515	77673	37061
TG(56:4)	2194		2316	2447	2555	1890	2116	6983	885	2490	1299		1291	1197	3828	1386
TG(56:5) A	22421	39792	42893	101174	86454	47408	74533	66851	13604	56653	35511	39606	59470	51381	77677	19202
TG(56:5) B	24000	50495	55999	59099	67654	62405	60750	93906	58313	56978	52085	62410	86510	56500	57027	59278
TG(56:6)	167708	226671	247451	357404	357505	264538	332004	481574	276072	266462	264634	379867	460738	282660	372566	223934
TG(56:7) A	248012	307512	363639	354273	476557	403102	406364	536423	345790	329264	266210	352307	438411	293759	451172	299136
TG(56:7) B	186318	315153	376048	435024	460213	423595	394598	634277	385094	284091	244775	327205	457017	247747	311115	286032
TG(56:9)	35713	55671	69538	66273	81639	85397	70095	116339	36490	34055	23551	43116	51051	31222	47167	15072
TG(58:1)	2641	8864	2303	2796	3175	2163	4242	1922		4230	3651		2861	2343	2508	2014
TG(58:10)	5175	3998		4060					5352			3448			6720	
TG(58:2)	17868	28397	25590	30497	24809	16912	24444	23978	11833	33117	10679	16809	19152	13159	29917	18322
TG(58:3)	13233	19125	21396	27132	23179	13868	20783	21348	5879	29211	6201	15561	16838	9816	26450	14960
TG(58:6)	9264	10216	14894	20047	17880	13944	17678	26974	11157	11712	10695	13824	17735	9905	20582	7907
TG(58:8)	114408	142131	165994	219038	232280	166437	290111	380651	174068	111253	131778	143383	206285	96925	212685	103555
TG(59:3)	8638	9194	10310	13473	10214	8096	11398	10457	6236	17124	5149	10117	10049	6889	13772	8247
TG(60:2)		6431	965	1474		644	2783				2298					
TG(60:3)	10681	11742	14482	19655	14764	9660	15126	15190	5709	23315	4392	10835	11594	6691	19663	10465
TG(60:4)	5257	9437	9051	10519	11774	7076	8760	9166	3278	13158	3568	7306	9083	4343	10824	7219
TG(62:3)	5871	5803	6348	7789	5455	4080	7576	5072	3178	10804	2120	4407	4787	3912	8962	4596
TG(62:4)	3860	3325	4328	5529	3684	3117	5252	3445	2430	6381	2239	2808	2900	2681	6435	2722
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
18:1 Cholesteryl ester;
18:2 Cholesteryl ester;
20:4 Cholesteryl ester;
22:6 Cholesteryl ester;
Cholesteryl ester(16:1)
Cholesteryl ester(18:3)
acylcarnitine (16:0)
acylcarnitine(14:1)
acylcarnitine(14:2)
acylcarnitine(18:0)
acylcarnitine(18:1)
acylcarnitine(18:2)
Cer(d40:1)
Cer(d41:1)
Cer(d42:1)
Cer(d42:2) A
Cer(d42:2) B
Cholesterol
DG(34:2)
DG(36:3)
DG(36:4) A
DG(38:6)
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0)
GlcCer(d40:1)
GlcCer(d42:1)
GlcCer(d42:2)
LPC (17:1)
LPC (20:0)
LPC (20:1)
LPC (20:2)
LPC (22:4)
LPC (22:6)
LPC (o-16:0)
LPC (p-16:0) or LPC (o-16:1)
LPC (p-18:0) or LPC (o-18:1)
LPC(14:0)
LPC(15:0)
LPC(16:0)
LPC(16:1)
LPC(18:0)
LPC(18:1)
LPC(18:2)
LPC(18:3)
LPC(20:3)
LPC(20:4)
LPC(20:5)
LPC(22:5)
LPE(18:0)
LPE(18:2)
LPE(20:4)
PC (37:3)
PC (39:6)
PC (42:5)
PC (42:6)
PC (p-32:0) or PC (o-32:1)
PC (p-36:3) or PC (o-36:4)
PC (p-38:2) or PC (o-38:3)
PC 40:9;
PC(30:0)
PC(31:0)
PC(32:0)
PC(32:1)
PC(32:2)
PC(33:0)
PC(33:1)
PC(33:2)
PC(34:0)
PC(34:1)
PC(34:2)
PC(34:3) A
PC(34:3) B
PC(34:3) C
PC(34:4)
PC(35:1)
PC(35:2) A
PC(35:2) B
PC(35:3)
PC(35:4)
PC(36:1)
PC(36:2)
PC(36:3) A
PC(36:3) B
PC(36:4) A
PC(36:4) B
PC(36:4) C
PC(36:5) C
PC(36:5) D
PC(36:5)A
PC(37:2)
PC(37:4)
PC(37:6)
PC(38:1)
PC(38:2)
PC(38:3)
PC(38:4) A
PC(38:4) B
PC(38:4) C
PC(38:5) A
PC(38:5) B
PC(38:6) A
PC(38:6) B
PC(38:7)
PC(39:4)
PC(40:4)
PC(40:5) A
PC(40:5) B
PC(40:6) A
PC(40:6)B
PC(40:7) A
PC(40:7) B
PC(40:8)
PC(42:10)
PC(o-32:0)
PC(p-32:1)/PC(o-32:2)
PC(p-34:1)/PC(o-34:2)
PC(p-34:2)/PC(o-34:3)
PC(p-36:1)/PC(o-36:2) A
PC(p-36:4)/PC(o-36:5)
PC(p-38:3)/PC(o-38:4) A
PC(p-38:3)/PC(o-38:4) B
PC(p-38:4)/PC(o-38:5) A
PC(p-38:5)/PC(o-38:6) A
PC(p-38:5)/PC(o-38:6) B
PC(p-38:6)/PC(o-38:7)
PC(p-40:3)/PC(o-40:4)
PC(p-40:4)/PC(o-40:5)
PC(p-40:5)/PC(o-40:6)
PC(p-40:6)/PC(o-40:7) A
PC(p-40:6)/PC(o-40:7) B
PC(p-42:4)/PC(o-42:5)
PC(p-42:5)/PC(o-42:6) A
PC(p-42:5)/PC(o-42:6) B
PE(36:2)
PE(38:4)
PE(38:6)
PE(p-36:2)/PE(o-36:3)
PE(p-36:4)/PE(o-36:5)
PE(p-38:5)/PE(o-38:6)
SM (d37:1)
SM (d39:2)
SM(d32:1)
SM(d33:1)
SM(d34:0)
SM(d34:1)
SM(d34:2)
SM(d36:0)
SM(d36:1)
SM(d36:2)
SM(d38:1)
SM(d38:2)
SM(d39:1)
SM(d40:0)
SM(d40:1)
SM(d40:2) A
SM(d40:2) B
SM(d41:1)
SM(d41:2) A
SM(d41:2)B
SM(d42:1)
SM(d42:2)
SM(d42:3)
TG 52:2; TG(16:0/18:1/18:1);
TG 52:3; TG(16:0/18:1/18:2);
TG 53:5; TG(17:1/18:2/18:2);
TG 54:3; TG(18:0/18:1/18:2);
TG 54:4; TG(18:1/18:1/18:2);
TG 54:5; TG(18:0/18:2/18:3);
TG 54:7; TG(18:2/18:2/18:3);
TG 56:4; TG(18:1/18:2/20:1);
TG 56:5; TG(18:2/18:2/20:1);
TG 58:10; TG(18:2/20:4/20:4);
TG 58:11; TG(18:2/20:4/20:5);
TG 58:7; TG(18:1/18:2/22:4);
TG 60:12; TG(18:2/20:4/22:6);
TG(48:1)
TG(48:2)
TG(48:3)
TG(48:4) A
TG(49:1)
TG(50:1)
TG(50:2)
TG(50:3) A
TG(50:5)
TG(51:1)
TG(51:2)
TG(51:3)
TG(51:4)
TG(52:1)
TG(52:3)
TG(52:4)
TG(53:3)
TG(53:4)
TG(54:1)
TG(54:2)
TG(54:5) B
TG(54:6) B
TG(54:7) A
TG(54:8)
TG(56:1)
TG(56:2)
TG(56:3)
TG(56:4)
TG(56:5) A
TG(56:5) B
TG(56:6)
TG(56:7) A
TG(56:7) B
TG(56:9)
TG(58:1)
TG(58:10)
TG(58:2)
TG(58:3)
TG(58:6)
TG(58:8)
TG(59:3)
TG(60:2)
TG(60:3)
TG(60:4)
TG(62:3)
TG(62:4)
METABOLITES_END
#END