#METABOLOMICS WORKBENCH AF_20230406_082321 DATATRACK_ID:3849 STUDY_ID:ST002546 ANALYSIS_ID:AN004193 PROJECT_ID:PR001639
VERSION             	1
CREATED_ON             	April 7, 2023, 9:05 am
#PROJECT
PR:PROJECT_TITLE                 	Lipidomic profiles of Toxplasma 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                         	702-217-4454
#STUDY
ST:STUDY_TITLE                   	Lipidomic profile of Toxplasma gondii-infected mice (Negative 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            	Serum collected from T. gondii-infected mice at 9 wk post-infection. Serum
CO:COLLECTION_SUMMARY            	samples from uninfected mice were included as controls.
CO:SAMPLE_TYPE                   	Blood (serum)
#TREATMENT
TR:TREATMENT_SUMMARY             	10–14-week-old male C57BL/6 mice were infected with 10 Me49 bradyzoite cysts
TR:TREATMENT_SUMMARY             	by intraperitoneal infection resuspended in 200 Μl PBS per mouse using a 5G
TR:TREATMENT_SUMMARY             	5/8” tuberculin syringe.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Serum samples were stored at -80C before the mass spectrometry assay.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
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                      	NEGATIVE
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               	ST002546_AN004193_Results.txt	UNITS:peak heights	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
Ceramide (d34:0)	2597	2984	1723	2725	3436	2485	1895	2319	2135	4251	2265	3679	4116	4383	2581	5605
Ceramide (d34:1)	15956	20915	18913	19331	22924	18741	18730	20966	19261	27467	24309	32188	32004	29531	31562	29912
Ceramide (d38:1)	2346	2923	2854	2941	2631	3003	2470	2743	1114	2803	1791	1818	2526	2590	1126	2936
Ceramide (d40:0)	1154	1478	1859	1661	1888	1565	1884	2375	1810	2468	1774	1108	2227	2223		2194
Ceramide (d40:1)	22837	56774	62423	51817	58836	67352	41843	45718	10993	40211	19812	22861	33201	32914	12564	41167
Ceramide (d40:2)	4614	6000	6447	11518	8441	6553	8297	11402	1543	4196	2080	3562	3990	3259	1844	3489
Ceramide (d41:1)	12770	13802	14819	17620	17880	16394	14217	14855	9158	12461	12008	12860	14233	13078	12683	14723
Ceramide (d42:0)	3006	2750	3300	3318	5978	3835	2793	3315	2406	10448	4503	4593	8390	7336	3045	4586
Ceramide (d42:1)	28456	55534	63500	53506	69151	80649	42677	45891	30809	58349	42466	48795	63956	65085	30332	63149
Ceramide (d42:2) A	56219	61124	58449	74170	77348	71321	64047	69290	30812	55882	46254	49663	61532	60043	51771	49383
Ceramide (d42:2) B				6934	6277	8255	4959									
Ceramide (d43:1)	1842	2219	2454	2914	2899	2601	2289	2111	1724	2150	2134	2402	3211	2347	2023	2048
EtherPE 38:4e; PE(18:0e/20:4);	7377	8340	6938	10055	7829	7021	8569	9468	5005	7716	9596	8390	7058	6528	7633	8262
EtherPE 40:6e; PE(18:0e/22:6);	8990	11136	9617	12315	9975	10493	12523	11639	5813	12818	10938	9155	8530	10067	8353	13459
FA (14:0) (myristic acid)	104122	59354	80312	80767	74436	83710	56766	80447	53076	48233	48752	67335	86256	56862	47116	55421
FA (14:1) (physeteric acid)	30366	10724	15018	12090	11827	22065	10502	14261	12402	9433	8009	7468	10783	9389	10590	7711
FA (15:0) (pentadecylic acid)	34868	29385	37229	37709	27792	31925	25862	33234	15548	19547	17095	15662	31011	19046	22153	23963
FA (15:1)	4248	3817	5219	3830	3287	6131	2969	3371	4737	3522	1821	1467	3054	3021	4696	3749
FA (16:1) (palmitoleic acid)	562872	501713	762529	979945	825451	691386	653325	1032541	337940	433521	343906	505733	760178	504336	317001	376607
FA (17:0) (margaric acid)	62054	56675	59522	67611	55558	57562	50699	58557	37233	48647	44936	41435	58185	39031	45216	55166
FA (17:1) (heptadecenoic acid)	30979	30745	39668	55245	43690	33862	42808	49160	20680	23239	21151	22837	36194	17602	24726	19018
FA (18:1) (oleic acid)	3612100	3659742	3908670	4604128	4256569	3695423	4023627	4354068	2682264	2934829	3073530	3033832	4271496	2915634	2768483	3418541
FA (18:2) (linoleic acid)	4306660	4849116	5210561	4851383	5444295	4897938	4547329	4687958	3397044	3986541	3668446	3737857	4941935	3830720	3387205	5169322
FA (18:3) (linolenic acid)	448190	458864	568199	490699	621397	527002	404819	500803	266477	338090	304843	389216	576816	355629	267482	607164
FA (20:0) (arachidic acid)	82685	76336	83375	92803	77680	83716	58005	67140	16183	57536	27113	42158	66313	45131	43093	78327
FA (20:1) (eicosenoic acid)	371634	337073	343558	444801	299453	243666	324683	321442	62742	217091	152294	117554	197228	149711	175570	212133
FA (20:2) (eicosadienoic acid)	83431	70314	86501	111140	114369	89780	103371	113490	59156	63789	68479	62453	107129	54459	91248	53207
FA (20:3) (eicosatrienoic acid)	29979	20765	26716	42719	27066	24709	34301	38353	31983	26384	47899	44505	45455	30242	38334	23708
FA (20:3) (homo-gamma-linolenic acid)	138627	193621	231116	315290	272665	223888	272314	296667	118992	171020	172800	158250	215225	174331	182121	150219
FA (20:4) (arachidonic acid)	636635	905623	922890	1060245	995949	1025104	1106333	981691	821441	880740	902877	625255	836693	754737	1014952	822636
FA (20:5) (eicosapentaenoic acid)	60094	118755	151405	149192	139771	140416	120073	150205	83198	103516	86652	106549	120168	131082	84979	116286
FA (22:0) (behenic acid)	13766	12974	15420	15536	13927	15876	10962	10994	4594	14056	7336	9832	13247	7384	9328	17562
FA (22:1) (erucic acid)	38042	29256	36114	48797	30271	27118	29630	34200	8385	22935	11669	16791	27353	16278	18222	33517
FA (22:2) (docosadienoic acid)	5302	5625	7834	9537	9754	6878	6911	7964	2797	3951	3036	2692	5504	2645	3939	3290
FA (22:6) (docosahexaenoic acid)	656722	919686	1111601	1112723	1098223	1153968	1181611	1145788	747093	794424	753113	606642	851978	734778	925985	835312
FA (24:0) (lignoceric acid)	18834	14812	15489	13812	15587	28663	13762	12959	10608	17565	13335	14374	16639	12872	15150	16241
FA (24:1) (nervonic acid)	12967	9459	12134	13732	11180	11512	11086	8262	5737	11310	6271	7581	9428	7530	9656	9146
FA (8:0) (caprylic acid)	3854	1702	1573	1608	1996	1497	9431	1950	1812	2529	6983	2565	11192	1904	1268	1672
FA 19:0;	45033	36647	43271	60452	40081	39953	42166	37385	12389	31103	20311	19592	26000	16212	24053	28227
GlcCer (d38:1)	1134	841	1078	1087	1246	1338	1196	1137	671	870	866	746	815	748	575	842
GlcCer (d40:1)	15330	27143	29312	32203	27968	29448	31395	29169	6420	15252	12910	12686	13852	12410	11228	15334
GlcCer (d42:1)	6370	9841	9997	10578	12272	13481	7882	11786	6278	9959	11727	8730	10933	12215	12809	14129
GlcCer (d42:2)	28498	22679	19137	28478	24405	15501	22212	29303	17790	20195	25446	25247	26384	24912	34596	25354
GlcCer(d14:1(4E)/20:0(2OH))	4205	6012	4269	6548	7277	6158	5490	6015	1806	3873	4637	6419	5911	5048	5809	7593
LPC (14:0)	3261	2417	3155	2987	3848	3363	3533	3726	1824	1961	3284	2778	3279	2770	3029	2885
LPC (16:0)	741810	886385	963793	1017392	1028226	1012143	1021651	985698	664790	829001	793349	806436	898403	968515	818411	925359
LPC (16:1)	24424	27028	34127	43176	40385	33454	40257	42691	11903	20579	18182	23393	25038	28550	32052	18668
LPC (18:0) A	45288	60518	67926	63660	65306	62688	66634	65131	58671	64576	78611	67681	64702	80163	66206	84883
LPC (18:0) B	397304	515631	546824	543267	547099	521318	575643	566675	515166	564412	662693	577730	529258	677905	557448	682388
LPC (18:1)	230867	253938	262317	354841	301632	309445	344912	340085	158772	228689	217439	255918	237663	296294	302710	192985
LPC (18:2)	572158	602535	656623	741289	740947	774866	701217	674121	383336	571768	517943	556925	574971	545369	588817	574153
LPC (20:1)	10802	13231	12647	17510	15671	14302	15572	17437	4626	9259	6537	6981	8680	9351	10309	7570
LPC (20:2)	8562	9210	9113	13438	11533	10250	11041	11951	7313	8046	9097	9676	9738	11527	13352	7505
LPC (20:3)	49472	61871	57122	100413	78544	77660	79766	93138	30128	48738	41250	57530	44982	69073	45084	46292
LPC (22:5)	4835	7517	8663	13643	11268	11577	9906	11734	6695	11494	9931	13561	10656	16836	11448	10583
LPE (16:0)	25607	26587	27968	40017	37482	35032	33160	34362	15992	23187	24017	27838	34378	34626	29972	35342
LPE (18:2)	55101	62341	50595	82399	82787	76132	60784	68587	24683	49366	35306	53078	68340	46560	49871	52410
LPE (20:4)	72407	111062	84324	128639	131391	117636	115714	125147	47696	68312	77752	84790	99625	80258	86042	74825
LPE (22:6)	47571	70695	57480	80026	86999	79366	75231	87921	36098	46245	46534	59523	70735	71590	65676	57461
LysoPC 20:0;	11219	27233	28988	27604	31788	28341	22723	24229	4199	16690	6547	8075	12083	11451	5872	14628
LysoPC 20:4;	233063	194717	189824	213602	206298	210546	236600	234451	123854	147652	168815	149443	140717	163361	200716	157792
LysoPC 22:6;	130772	132127	154531	164916	158483	177536	168562	170707	104317	124514	129288	120576	121912	153522	148726	143869
PC (32:0)	39233	39412	34975	40281	52721	40153	43188	38078	34639	54239	42278	39028	49334	43791	45545	43084
PC (32:1)	6462	8021	7597	12014	10359	8739	9387	10842	4220	8461	6308	9963	8882	10046	8253	6412
PC (32:2)	4520	6373	5950	5821	6747	5217	5562	6797	2254	4740	3724	6381	4719	3842	6671	3848
PC (33:1)	2362	3239	3049	3954	3370	3174	3219	3414	1750	2857	2506	2788	3075	2522	2980	1348
PC (33:2)	5631	7089	6572	6431	7474	6521	6705	5708	3077	4460	3585	3861	5273	3240	4530	4618
PC (34:0)	15644	17985	17702	18031	20456	17898	18567	18008	15452	21271	20477	19519	18809	21773	20113	22083
PC (34:1)	176182	227308	233729	292899	267794	264535	260654	259043	142940	209949	190409	242293	260231	279300	211821	205083
PC (34:2)	352442	535759	487586	551791	578594	555553	540514	524277	284072	445801	400247	477978	495906	423809	420569	498977
PC (34:3)	25128	40876	35430	55608	48303	46298	45473	50915	12226	26751	23611	35154	35809	35183	35519	27282
PC (34:4)	1779	2071	1449	2201	2399	1538	2207	2296	808	1245	1406	1902	1401	1177	2078	1130
PC (35:1)	3663	4123	3743	5415	4629	4039	4971	4358	3038	3862	3702	3801	4010	3457	4240	3427
PC (35:2)	20524	19315	16671	21085	21032	18775	20871	18551	12678	16525	17179	16821	17647	12217	16420	18679
PC (35:4)	3377	4816	3931	3659	4806	3762	5029	4015	2409	3170	2820	3196	2857	2093	4535	2835
PC (36:1)	71106	84084	80451	103926	93517	89702	97808	100237	49555	83123	95639	105770	93330	133851	93750	88186
PC (36:2)	281759	357686	324030	374831	395305	353994	356543	368771	254795	329387	366411	377350	355136	356015	334470	414479
PC (36:3) A	118203	126501	114463	154991	145406	142998	162245	157374	84721	119630	136266	136513	141342	125109	162714	118165
PC (36:3) B	88774	136881	114277	151477	140850	132113	134657	146241	71950	103633	92729	118652	108401	120967	86305	103169
PC (36:4) A	95038	115093	106968	124663	127744	127205	128294	118955	68354	105322	106912	108120	109611	83599	114330	113799
PC (36:4) B	264990	326206	289238	318121	325154	303364	330988	325014	206713	244299	254044	253751	259187	246641	286115	260239
PC (36:5) A	7914	15813	13211	12774	17147	16931	14521	14031	5767	10893	9778	12682	11420	10063	14695	12268
PC (36:5) B	6766	10891	10393	15408	12413	11816	9452	14632	7771	10751	9307	18594	14957	15397	10942	12294
PC (37:2)	22598	18278	19337	25784	23355	17143	23637	20307	7328	14789	11855	12240	12505	7497	14792	13109
PC (37:4)	6183	7774	5736	5486	5950	5240	7457	6432	6031	5465	6217	5320	4415	4009	7862	6004
PC (38:3)	49400	78292	66770	89841	79519	72300	81723	95543	61318	69045	83226	92155	71338	102850	65003	86831
PC (38:4) A	129606	167268	134563	131226	145918	136955	158365	165353	136228	131059	174125	157810	127660	145819	170846	177489
PC (38:5) A	38272	44400	38471	50506	48396	38555	55544	60299	36667	41457	45898	53211	43391	50205	75404	35478
PC (38:5) B	13733	8684	8321	11247	10127	9883	11410	11167	10815	9891	12523	17175	13082	14353	16429	11850
PC (38:6)	190991	291147	265103	308075	298135	280687	316446	307572	159168	214862	232563	226107	237939	246906	285859	271618
PC (40:4)	3345	4596	4213	5339	4735	4633	4876	4819	6018	5305	7156	8320	6550	7327	7246	5909
PC (40:5) A	5543	9039	8380	10827	10262	8674	9346	10889	7555	10122	9526	13490	10774	15033	9369	11802
PC (40:5) B	5211	2682	2850	3752	3695	3357	4255	3586	5071	3858	5621	6427	4568	6000	6804	3799
PC (40:6) B	51939	81344	77162	79553	76679	77104	83010	83536	83240	81010	103891	94125	84594	109292	88451	120392
PC (40:7)	22930	32985	28816	38951	34192	30310	42964	42805	24354	27357	35941	30677	32243	27935	49203	29183
PC (40:8)	13874	23339	19105	21822	22338	22707	25566	22087	12458	16001	17881	14655	14078	15919	21185	17478
PC (p-32:0) or PC (o-32:1)	1671	2906	1997	2687	1416	2265	2440	690	1934	2265	884	1961	1849	1266	1632	2613
PC (p-34:0) or PC (o-34:1)	5990	6540	5102	5507	7057	5787	7147	5701	5184	7459	6939	6313	7232	7013	6169	5738
PC (p-34:1) or PC (o-34:2) A	4320	3582	4407	4436	4638	3789	4115	2938	1891	2701	2764	2449	3053	2375	2771	2418
PC (p-34:1) or PC (o-34:2) B	1582	1376	1424	1211	980	1042	1259	1142	840	1206	955	302	1123	875	1274	922
PC (p-34:2) or PC (o-34:3)	2607	2771	2853	3519	2930	2974	2868	3199	1565	2038	2608	2306	2377	2055	1856	2193
PC (p-36:3) or PC (o-36:4)	6978	8495	7275	8079	7933	6892	8312	7452	5030	8182	7677	6092	7794	6613	8811	6570
PC (p-36:4) or PC (o-36:5)	3388	4210	3813	4364	3537	3255	4460	4211	2836	2469	3388	2314	2745	2188	3158	2919
PC (p-38:3) or PC (o-38:4)	3147	3749	3325	3527	3570	3265	4036	3787	2460	3134	3258	2607	2677	2753	3562	2729
PC (p-38:4) or PC (o-38:5) A	5705	6896	6138	7250	6456	5718	8107	7022	4855	5477	6030	4759	6287	4688	7743	4324
PC (p-38:4) or PC (o-38:5) B	1752	1443	1343	779	1239	1664	1434	989	1199	1322	1249	1073	1116	1292	1261	1250
PC (p-40:3) or PC (o-40:4)	1803	2490	1911	1987	2210	1563	2180	2043	1635	1551	1965	1598	1105	2006	1696	1606
PC (p-40:4) or PC (o-40:5)	967	1451	1156	1456	1542	1011	1186	1306	842	1003	1063	1037	915	1065	1211	879
PC (p-42:4) or PC (o-42:5)	698	1043	1293	1012	871	1050	1070	1203	899	1102	1373	1162	895	1079	1067	840
PE (34:2)	2310	2470	1856	2285	4480	2044	2071	2164	1295	1944	1467	2154	3326	2132	1948	2404
PE (36:2)	4260	3875	2933	3732	7928	3268	4096	4202	2519	4883	2838	4675	6761	4236	3573	5021
PE (36:3)	1217	1413	865	1425	3052	1221	1476	1312	444	1177	1202	1648	1705	1226	1092	1038
PE (36:4)	1655	3389	2107	3356	8007	2544	3542	4299	1309	3872	2266	3306	4717	3139	2945	2313
PE (38:2)	1278	1693	1491	1551	1785	1670	1639	1707	789	1570	1553	1603	1589	1694	1604	1907
PE (38:4) B	6013	11207	6605	11305	27396	9130	10452	13418	4861	20120	13395	13818	19803	13845	9383	17152
PE (38:6)	5147	4967	3929	2159	10601	4208	5239	5910	3084	5534	4011	4958	7695	6287	5533	5873
PE (p-34:2) or PE (o-34:3)	2049	3219	2762	3694	3563	2499	3368	3241	1076	2150	1758	1964	2329	1925	1530	
PE (p-36:1) or PE (o-36:2)	2208	1816	1334	1991	1892	1948	2043	2144	1495	1661	1464	1455	1898	1595	1222	1696
PE (p-36:2) or PE (o-36:3)	5432	5795	5226	6722	5690	5099	5801	5975	2737	4469	3726	4422	4882	3971	3074	4292
PE (p-36:4) or PE (o-36:5)	5703	7947	5743	8104	10947	6507	7071	7036	3959	14979	9487	7496	10041	8901	4715	7041
PE (p-38:4) or PE (o-38:5)	10379	13851	10147	13730	13122	10565	12649	15054	7783	15136	12509	12282	15292	11317	8745	13793
PE (p-38:5) or PE (o-38:6)	1725	2976	2211	3285	5715	2433	3012	2821	1634	7562	4174	3342	5170	4689	2500	3291
PE (p-38:6) or PE (o-38:7)	9148	13048	11468	15835	16394	11693	14316	12676	5743	15297	10907	9777	10957	11299	8461	13132
PE (p-40:6) or PE (o-40:7)	11166	13868	11514	14885	13542	12049	14352	13618	7343	15069	11543	10366	11602	10206	7942	14480
PI 38:4; PI(18:0/20:4);	493588	654072	578472	687674	644022	665070	769805	770780	434856	522943	604394	542966	524655	702402	495690	708135
SM (d32:1)	5560	4191	5048	5611	7143	5070	4572	4228	3101	3872	4348	4902	4193	4889	4079	4680
SM (d33:1)	6114	5941	5909	6108	6709	4965	7291	5994	5484	6418	6424	6277	4684	5680	8429	6168
SM (d34:0)	1381	1450	2340	1542	1467	1435	1491	1359	2228	2913	2329	2465	2068	2833	1968	2711
SM (d34:1)	66112	64724	61068	60968	65858	59084	66983	62042	97526	86287	99564	101414	91734	115065	99523	107787
SM (d34:2)	15604	25737	25017	27489	29232	24844	29953	26235	16960	24343	23568	22728	21697	26124	20750	24733
SM (d36:1)	5791	4955	5051	4632	5702	4992	4735	4150	6347	4847	6926	5711	4668	6884	6141	6402
SM (d36:2)	1191	1230	2324	2329	2459	1605	1166	2128	1875		2253	1311		2626	2190	2572
SM (d36:3)	877	967	863	966	1364	1692	982	1280	866	913	1073	940	1218	1336	780	1250
SM (d38:1)	3603	5893	5527	4715	5866	5695	4938	4584	3466	7214	5502	5400	5600	8678	3286	9620
SM (d39:1)	1029	1605	1825	1604	2013	1746	1514	1646	1106	1226	1423	1078	985	1515	1140	1373
SM (d40:1)	25690	75112	81090	60694	75805	67382	51723	53094	27399	63897	33190	43737	50786	61505	21317	75932
SM (d40:2) A	9886	15913	13822	19826	17255	13647	16504	19759	3325	11942	6292	8005	10695	14829	4238	10107
SM (d40:2) B	2916	11613	12407	5097	12672	11769	9402	4133	3121	8251	5110	4652	5022	6033	3086	8892
SM (d40:3)	1400	1792	1575	2193	1867	1655	2092	2296	1357	1510	1628	1236	1644	1640	1496	1575
SM (d41:1)	10783	18982	17945	17783	21557	17701	17197	15888	18481	16918	22291	23583	16379	24648	18128	25556
SM (d42:2) B	72634	92234	87639	95331	106517	91907	92505	94390	98251	89427	112119	112348	99145	131510	102749	117016
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Ceramide (d34:0)
Ceramide (d34:1)
Ceramide (d38:1)
Ceramide (d40:0)
Ceramide (d40:1)
Ceramide (d40:2)
Ceramide (d41:1)
Ceramide (d42:0)
Ceramide (d42:1)
Ceramide (d42:2) A
Ceramide (d42:2) B
Ceramide (d43:1)
EtherPE 38:4e; PE(18:0e/20:4);
EtherPE 40:6e; PE(18:0e/22:6);
FA (14:0) (myristic acid)
FA (14:1) (physeteric acid)
FA (15:0) (pentadecylic acid)
FA (15:1)
FA (16:1) (palmitoleic acid)
FA (17:0) (margaric acid)
FA (17:1) (heptadecenoic acid)
FA (18:1) (oleic acid)
FA (18:2) (linoleic acid)
FA (18:3) (linolenic acid)
FA (20:0) (arachidic acid)
FA (20:1) (eicosenoic acid)
FA (20:2) (eicosadienoic acid)
FA (20:3) (eicosatrienoic acid)
FA (20:3) (homo-gamma-linolenic acid)
FA (20:4) (arachidonic acid)
FA (20:5) (eicosapentaenoic acid)
FA (22:0) (behenic acid)
FA (22:1) (erucic acid)
FA (22:2) (docosadienoic acid)
FA (22:6) (docosahexaenoic acid)
FA (24:0) (lignoceric acid)
FA (24:1) (nervonic acid)
FA (8:0) (caprylic acid)
FA 19:0;
GlcCer (d38:1)
GlcCer (d40:1)
GlcCer (d42:1)
GlcCer (d42:2)
GlcCer(d14:1(4E)/20:0(2OH))
LPC (14:0)
LPC (16:0)
LPC (16:1)
LPC (18:0) A
LPC (18:0) B
LPC (18:1)
LPC (18:2)
LPC (20:1)
LPC (20:2)
LPC (20:3)
LPC (22:5)
LPE (16:0)
LPE (18:2)
LPE (20:4)
LPE (22:6)
LysoPC 20:0;
LysoPC 20:4;
LysoPC 22:6;
PC (32:0)
PC (32:1)
PC (32:2)
PC (33:1)
PC (33:2)
PC (34:0)
PC (34:1)
PC (34:2)
PC (34:3)
PC (34:4)
PC (35:1)
PC (35:2)
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 (36:5) A
PC (36:5) B
PC (37:2)
PC (37:4)
PC (38:3)
PC (38:4) A
PC (38:5) A
PC (38:5) B
PC (38:6)
PC (40:4)
PC (40:5) A
PC (40:5) B
PC (40:6) B
PC (40:7)
PC (40:8)
PC (p-32:0) or PC (o-32:1)
PC (p-34:0) or PC (o-34:1)
PC (p-34:1) or PC (o-34:2) A
PC (p-34:1) or PC (o-34:2) B
PC (p-34:2) or PC (o-34:3)
PC (p-36:3) or PC (o-36:4)
PC (p-36:4) or PC (o-36:5)
PC (p-38:3) or PC (o-38:4)
PC (p-38:4) or PC (o-38:5) A
PC (p-38:4) or PC (o-38:5) B
PC (p-40:3) or PC (o-40:4)
PC (p-40:4) or PC (o-40:5)
PC (p-42:4) or PC (o-42:5)
PE (34:2)
PE (36:2)
PE (36:3)
PE (36:4)
PE (38:2)
PE (38:4) B
PE (38:6)
PE (p-34:2) or PE (o-34:3)
PE (p-36:1) or PE (o-36:2)
PE (p-36:2) or PE (o-36:3)
PE (p-36:4) or PE (o-36:5)
PE (p-38:4) or PE (o-38:5)
PE (p-38:5) or PE (o-38:6)
PE (p-38:6) or PE (o-38:7)
PE (p-40:6) or PE (o-40:7)
PI 38:4; PI(18:0/20:4);
SM (d32:1)
SM (d33:1)
SM (d34:0)
SM (d34:1)
SM (d34:2)
SM (d36:1)
SM (d36:2)
SM (d36:3)
SM (d38:1)
SM (d39:1)
SM (d40:1)
SM (d40:2) A
SM (d40:2) B
SM (d40:3)
SM (d41:1)
SM (d42:2) B
METABOLITES_END
#END