#METABOLOMICS WORKBENCH jravilap_20240827_092849 DATATRACK_ID:5151 STUDY_ID:ST003438 ANALYSIS_ID:AN005650 PROJECT_ID:PR002121
VERSION             	1
CREATED_ON             	August 27, 2024, 10:30 am
#PROJECT
PR:PROJECT_TITLE                 	Genetic screening and metabolomics identify glial adenosine metabolism as a
PR:PROJECT_TITLE                 	therapeutic target in Parkinson’s disease
PR:PROJECT_TYPE                  	Metabolomic profiling of Parkinson's Disease Drosophila model
PR:PROJECT_SUMMARY               	Parkinson’s disease (PD) is the second most common neurodegenerative disorder
PR:PROJECT_SUMMARY               	and lacks disease-modifying therapies. We developed a Drosophila model for
PR:PROJECT_SUMMARY               	identifying novel glial- based therapeutic targets for PD. Human α-synuclein is
PR:PROJECT_SUMMARY               	expressed in neurons and individual genes are independently knocked down in
PR:PROJECT_SUMMARY               	glia. We performed a forward genetic screen, knocking down the entire Drosophila
PR:PROJECT_SUMMARY               	kinome in glia in α-synuclein expressing flies. Among the top hits were five
PR:PROJECT_SUMMARY               	genes (Ak1, Ak6, Adk1, Adk2, and awd) involved in adenosine metabolism.
PR:PROJECT_SUMMARY               	Knockdown of each gene improved locomotor dysfunction, rescued
PR:PROJECT_SUMMARY               	neurodegeneration, and increased brain adenosine levels. We determined that the
PR:PROJECT_SUMMARY               	mechanism of neuroprotection involves adenosine itself, as opposed to a
PR:PROJECT_SUMMARY               	downstream metabolite. We dove deeper into the mechanism for one gene, Ak1,
PR:PROJECT_SUMMARY               	finding rescue of dopaminergic neuron loss, α-synuclein aggregation, and
PR:PROJECT_SUMMARY               	bioenergetic dysfunction after glial Ak1 knockdown. We performed metabolomics in
PR:PROJECT_SUMMARY               	Drosophila and in human PD patients, allowing us to comprehensively characterize
PR:PROJECT_SUMMARY               	changes in purine metabolism and identify potential biomarkers of dysfunctional
PR:PROJECT_SUMMARY               	adenosine metabolism in people. These experiments support glial adenosine as a
PR:PROJECT_SUMMARY               	novel therapeutic target in PD.
PR:INSTITUTE                     	Broad Institute of MIT and Harvard
PR:LAST_NAME                     	Avila-Pacheco
PR:FIRST_NAME                    	Julian
PR:ADDRESS                       	415 Main Street
PR:EMAIL                         	jravilap@broadinstitute.org
PR:PHONE                         	(617) 714-1729
PR:CONTRIBUTORS                  	Sodders M, Kumari N, Okorie E, Shen M, Lakhani M, Marathi A, Sarkar S, Scherzer
PR:CONTRIBUTORS                  	CR, Clish C, Feany MB, Olsen AL, Bullock K, Pierce K, Dennis C, Jeanfavre D,
PR:CONTRIBUTORS                  	Avila-Pacheco, J
#STUDY
ST:STUDY_TITLE                   	Unbiased genetic screening and metabolomics identifies glial adenosine
ST:STUDY_TITLE                   	metabolism as a therapeutic target in Parkinson’s disease
ST:STUDY_SUMMARY                 	Parkinson’s disease (PD) is the second most common neurodegenerative disorder
ST:STUDY_SUMMARY                 	and lacks disease-modifying therapies. We developed a Drosophila model for
ST:STUDY_SUMMARY                 	identifying novel glial- based therapeutic targets for PD. Human α-synuclein is
ST:STUDY_SUMMARY                 	expressed in neurons and individual genes are independently knocked down in
ST:STUDY_SUMMARY                 	glia. We performed a large forward genetic screen, knocking down the entire
ST:STUDY_SUMMARY                 	Drosophila kinome in glia in α-synuclein expressing flies. Among the top hits
ST:STUDY_SUMMARY                 	were five genes (Ak1, Ak6, Adk1, Adk2, and awd) involved in adenosine
ST:STUDY_SUMMARY                 	metabolism. Knockdown of each gene improved locomotor dysfunction, rescued
ST:STUDY_SUMMARY                 	neurodegeneration, and increased brain adenosine levels. We determined that the
ST:STUDY_SUMMARY                 	mechanism of neuroprotection involves adenosine itself, as opposed to a
ST:STUDY_SUMMARY                 	downstream metabolite. We dove deeper into the mechanism for one gene, Ak1,
ST:STUDY_SUMMARY                 	finding rescue of dopaminergic neuron loss, α-synuclein aggregation, and
ST:STUDY_SUMMARY                 	bioenergetic dysfunction after glial Ak1 knockdown. We performed metabolomics in
ST:STUDY_SUMMARY                 	Drosophila and in human PD patients, allowing us to comprehensively characterize
ST:STUDY_SUMMARY                 	changes in purine metabolism and identify potential biomarkers of dysfunctional
ST:STUDY_SUMMARY                 	adenosine metabolism in people. These experiments support glial adenosine as a
ST:STUDY_SUMMARY                 	novel therapeutic target in PD.
ST:INSTITUTE                     	Broad Institute of MIT and Harvard
ST:LAST_NAME                     	Avila-Pacheco
ST:FIRST_NAME                    	Julian
ST:ADDRESS                       	415 Main Street
ST:EMAIL                         	jravilap@broadinstitute.org
ST:PHONE                         	(617) 714-1729
#SUBJECT
SU:SUBJECT_TYPE                  	Insect
SU:SUBJECT_SPECIES               	Drosophila melanogaster
SU:TAXONOMY_ID                   	7227
#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           	-	9Q	Sample source:Fly heads | Sample_ID:Synuclein	RAW_FILE_NAME_HP=22_0131_HP_21_1207_OLS_FlyPilot/B0001_OLS_FlyPilot_HP-9Q.raw; RAW_FILE_NAME_CP=22_0131_CP_21_1207_OLS_FlyPilot/B0001_OLS_FlyPilot_CP-9Q_2.raw; RAW_FILE_NAME_CN=22_0307_CN_21_1207_OLS_FlyPilot/B0001_OLS_FlyPilot_CN-9Q.raw; RAW_FILE_NAME_HN=22_0126_HN_21_1207_OLS_FlyPilot/B0001_OLS_FlyPilot_HN_9Q.raw
SUBJECT_SAMPLE_FACTORS           	-	3S	Sample source:Fly heads | Sample_ID:Control	RAW_FILE_NAME_HP=22_0131_HP_21_1207_OLS_FlyPilot/B0002_OLS_FlyPilot_HP-3S.raw; RAW_FILE_NAME_CP=22_0131_CP_21_1207_OLS_FlyPilot/B0002_OLS_FlyPilot_CP-3S_2.raw; RAW_FILE_NAME_CN=22_0307_CN_21_1207_OLS_FlyPilot/B0002_OLS_FlyPilot_CN-3S.raw; RAW_FILE_NAME_HN=22_0126_HN_21_1207_OLS_FlyPilot/B0002_OLS_FlyPilot_HN_3S.raw
SUBJECT_SAMPLE_FACTORS           	-	2S	Sample source:Fly heads | Sample_ID:Control	RAW_FILE_NAME_HP=22_0131_HP_21_1207_OLS_FlyPilot/B0003_OLS_FlyPilot_HP-2S.raw; RAW_FILE_NAME_CP=22_0131_CP_21_1207_OLS_FlyPilot/B0003_OLS_FlyPilot_CP-2S_2.raw; RAW_FILE_NAME_CN=22_0307_CN_21_1207_OLS_FlyPilot/B0003_OLS_FlyPilot_CN-2S.raw; RAW_FILE_NAME_HN=22_0126_HN_21_1207_OLS_FlyPilot/B0003_OLS_FlyPilot_HN_2S.raw
SUBJECT_SAMPLE_FACTORS           	-	6SA	Sample source:Fly heads | Sample_ID:Control + AKI-KD	RAW_FILE_NAME_HP=22_0131_HP_21_1207_OLS_FlyPilot/B0004_OLS_FlyPilot_HP-6SA.raw; RAW_FILE_NAME_CP=22_0131_CP_21_1207_OLS_FlyPilot/B0004_OLS_FlyPilot_CP-6SA_2.raw; RAW_FILE_NAME_CN=22_0307_CN_21_1207_OLS_FlyPilot/B0004_OLS_FlyPilot_CN-6SA.raw; RAW_FILE_NAME_HN=22_0126_HN_21_1207_OLS_FlyPilot/B0004_OLS_FlyPilot_HN_6SA.raw
SUBJECT_SAMPLE_FACTORS           	-	8Q	Sample source:Fly heads | Sample_ID:Synuclein	RAW_FILE_NAME_HP=22_0131_HP_21_1207_OLS_FlyPilot/B0005_OLS_FlyPilot_HP-8Q.raw; RAW_FILE_NAME_CP=22_0131_CP_21_1207_OLS_FlyPilot/B0005_OLS_FlyPilot_CP-8Q_2.raw; RAW_FILE_NAME_CN=22_0307_CN_21_1207_OLS_FlyPilot/B0005_OLS_FlyPilot_CN-8Q.raw; RAW_FILE_NAME_HN=22_0126_HN_21_1207_OLS_FlyPilot/B0005_OLS_FlyPilot_HN_8Q.raw
SUBJECT_SAMPLE_FACTORS           	-	5SA	Sample source:Fly heads | Sample_ID:Control + AKI-KD	RAW_FILE_NAME_HP=22_0131_HP_21_1207_OLS_FlyPilot/B0006_OLS_FlyPilot_HP-5SA.raw; RAW_FILE_NAME_CP=22_0131_CP_21_1207_OLS_FlyPilot/B0006_OLS_FlyPilot_CP-5SA_2.raw; RAW_FILE_NAME_CN=22_0307_CN_21_1207_OLS_FlyPilot/B0006_OLS_FlyPilot_CN-5SA.raw; RAW_FILE_NAME_HN=22_0126_HN_21_1207_OLS_FlyPilot/B0006_OLS_FlyPilot_HN_5SA.raw
SUBJECT_SAMPLE_FACTORS           	-	10QA	Sample source:Fly heads | Sample_ID:Synuclein + AKI-KD	RAW_FILE_NAME_HP=22_0131_HP_21_1207_OLS_FlyPilot/B0007_OLS_FlyPilot_HP-10QA.raw; RAW_FILE_NAME_CP=22_0131_CP_21_1207_OLS_FlyPilot/B0007_OLS_FlyPilot_CP-10QA_2.raw; RAW_FILE_NAME_CN=22_0307_CN_21_1207_OLS_FlyPilot/B0007_OLS_FlyPilot_CN-10QA.raw; RAW_FILE_NAME_HN=22_0126_HN_21_1207_OLS_FlyPilot/B0007_OLS_FlyPilot_HN_10QA.raw
SUBJECT_SAMPLE_FACTORS           	-	12QA	Sample source:Fly heads | Sample_ID:Synuclein + AKI-KD	RAW_FILE_NAME_HP=22_0131_HP_21_1207_OLS_FlyPilot/B0008_OLS_FlyPilot_HP-12QA.raw; RAW_FILE_NAME_CP=22_0131_CP_21_1207_OLS_FlyPilot/B0008_OLS_FlyPilot_CP-12QA_2.raw; RAW_FILE_NAME_CN=22_0307_CN_21_1207_OLS_FlyPilot/B0008_OLS_FlyPilot_CN-12QA.raw; RAW_FILE_NAME_HN=22_0126_HN_21_1207_OLS_FlyPilot/B0008_OLS_FlyPilot_HN_12QA.raw
SUBJECT_SAMPLE_FACTORS           	-	1S	Sample source:Fly heads | Sample_ID:Control	RAW_FILE_NAME_HP=22_0131_HP_21_1207_OLS_FlyPilot/B0009_OLS_FlyPilot_HP-1S.raw; RAW_FILE_NAME_CP=22_0131_CP_21_1207_OLS_FlyPilot/B0009_OLS_FlyPilot_CP-1S_2.raw; RAW_FILE_NAME_CN=22_0307_CN_21_1207_OLS_FlyPilot/B0009_OLS_FlyPilot_CN-1S.raw; RAW_FILE_NAME_HN=22_0126_HN_21_1207_OLS_FlyPilot/B0009_OLS_FlyPilot_HN_1S.raw
SUBJECT_SAMPLE_FACTORS           	-	4SA	Sample source:Fly heads | Sample_ID:Control + AKI-KD	RAW_FILE_NAME_HP=22_0131_HP_21_1207_OLS_FlyPilot/B0010_OLS_FlyPilot_HP-4SA.raw; RAW_FILE_NAME_CP=22_0131_CP_21_1207_OLS_FlyPilot/B0010_OLS_FlyPilot_CP-4SA_2.raw; RAW_FILE_NAME_CN=22_0307_CN_21_1207_OLS_FlyPilot/B0010_OLS_FlyPilot_CN-4SA.raw; RAW_FILE_NAME_HN=22_0126_HN_21_1207_OLS_FlyPilot/B0010_OLS_FlyPilot_HN_4SA.raw
SUBJECT_SAMPLE_FACTORS           	-	11QA	Sample source:Fly heads | Sample_ID:Synuclein + AKI-KD	RAW_FILE_NAME_HP=22_0131_HP_21_1207_OLS_FlyPilot/B0011_OLS_FlyPilot_HP-11QA.raw; RAW_FILE_NAME_CP=22_0131_CP_21_1207_OLS_FlyPilot/B0011_OLS_FlyPilot_CP-11QA_2.raw; RAW_FILE_NAME_CN=22_0307_CN_21_1207_OLS_FlyPilot/B0011_OLS_FlyPilot_CN-11QA.raw; RAW_FILE_NAME_HN=22_0126_HN_21_1207_OLS_FlyPilot/B0011_OLS_FlyPilot_HN_11QA.raw
SUBJECT_SAMPLE_FACTORS           	-	7Q	Sample source:Fly heads | Sample_ID:Synuclein	RAW_FILE_NAME_HP=22_0131_HP_21_1207_OLS_FlyPilot/B0012_OLS_FlyPilot_HP-7Q.raw; RAW_FILE_NAME_CP=22_0131_CP_21_1207_OLS_FlyPilot/B0012_OLS_FlyPilot_CP-7Q_2.raw; RAW_FILE_NAME_CN=22_0307_CN_21_1207_OLS_FlyPilot/B0012_OLS_FlyPilot_CN-7Q.raw; RAW_FILE_NAME_HN=22_0126_HN_21_1207_OLS_FlyPilot/B0012_OLS_FlyPilot_HN_7Q.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Metabolomics on fly heads was performed using a platform that relies on a
CO:COLLECTION_SUMMARY            	combination of four non-targeted liquid chromatography mass spectrometry (LC-MS)
CO:COLLECTION_SUMMARY            	methods which measure both polar and non-polar metabolites23. n = 3 replicates
CO:COLLECTION_SUMMARY            	per genotype of 25 fly heads each.
CO:SAMPLE_TYPE                   	Heads
#TREATMENT
TR:TREATMENT_SUMMARY             	NA
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Sample homogenates were generated by homogenizing the fly heads in 100 µL water
SP:SAMPLEPREP_SUMMARY            	using a TissueLyser II (QIAGEN) bead mill set to two 2 min intervals at 20.
#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% water/5% methanol; 10 mM ammonium acetate; 0.1% acetic acid
CH:SOLVENT_B                     	100% methanol; 0.1% acetic acid
CH:FLOW_GRADIENT                 	The column was eluted at a flow rate of 450 µL/min isocratically for 1 minute
CH:FLOW_GRADIENT                 	at 80% mobile phase A, followed by a linear gradient to 80% mobile-phase B over
CH:FLOW_GRADIENT                 	2 minutes, a linear gradient to 100% mobile phase B over 7 minutes, and then 3
CH:FLOW_GRADIENT                 	minutes at 100% mobile-phase B.
CH:FLOW_RATE                     	450 µL/min
CH:COLUMN_TEMPERATURE            	40C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Raw data were processed using TraceFinder 3.3 software (Thermo Fisher
MS:MS_COMMENTS                   	Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle upon
MS:MS_COMMENTS                   	Tyne, UK). Metabolite identities were confirmed using authentic reference
MS:MS_COMMENTS                   	standards or reference samples.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Abundances
MS_METABOLITE_DATA_START
Samples	1S	2S	3S	4SA	5SA	6SA	7Q	8Q	9Q	10QA	11QA	12QA
Factors	Sample source:Fly heads | Sample_ID:Control	Sample source:Fly heads | Sample_ID:Control	Sample source:Fly heads | Sample_ID:Control	Sample source:Fly heads | Sample_ID:Control + AKI-KD	Sample source:Fly heads | Sample_ID:Control + AKI-KD	Sample source:Fly heads | Sample_ID:Control + AKI-KD	Sample source:Fly heads | Sample_ID:Synuclein	Sample source:Fly heads | Sample_ID:Synuclein	Sample source:Fly heads | Sample_ID:Synuclein	Sample source:Fly heads | Sample_ID:Synuclein + AKI-KD	Sample source:Fly heads | Sample_ID:Synuclein + AKI-KD	Sample source:Fly heads | Sample_ID:Synuclein + AKI-KD
PC 12:0/12:0 [iSTD]	5131450	5096770	4952462	5121546	5136903	5045093	4971429	4868502	5157655	5034037	5278487	4888169
LPC 14:0	503084	531535	490722	600765	553816	596465	493388	635096	557877	434649	407019	591631
LPC 16:1	9018172	12250610	8713079	11994506	14343556	14403666	9431818	12270957	10454212	9411782	9754374	11055475
LPC 16:0	3226122	3853718	3019650	3871340	3836503	4276856	3294632	4184972	3989094	3945324	3318930	4426824
LPC 18:3	996591	1229144	1120532	1215152	1192321	1388321	772874	1001752	1131999	714021	836977	1390297
LPC 18:2	10710460	13861692	10606557	14331977	14782855	17160127	10631685	13841265	14132795	9836419	11099961	15894096
LPC 18:1	6621591	8801146	6464375	9889279	10209347	10976331	8542477	11870798	9388453	9290098	7731104	10970076
LPC 18:0	243659	288134	176153	392390	315201	456235	178201	189751	183246	347485	269897	252069
LPC 20:2	7952	13880	11596	18274	17224	21968	12300	16728	17520	17398	16787	24006
LPE 16:1	2916898	3776624	2780923	3664050	4414484	4509038	2891207	3865734	2921944	3277055	2765472	3074978
LPE 16:0	139664	168515	136201	202517	197615	237603	152611	207617	187129	237892	185667	249664
LPE 18:3	1520866	1871957	1577941	1847007	1810824	2058476	1254300	1556380	1701488	1248041	1382693	2031141
LPE 18:2	6628806	8428423	6388445	8300385	8625446	9615025	7492844	8780629	8170717	7056836	7404481	8727805
LPE 18:1	4005059	4988644	3733851	5808778	5943171	6706480	4651627	6525289	5220231	6808808	5017243	6164284
LPE 18:0	207714	246809	156898	328841	277786	351520	225065	233185	207688	404785	351702	322071
LPE 20:1	124266	173247	124238	169957	172959	190648	175741	223172	148099	156347	160351	165412
LPE 20:0	2499255	2523741	2501901	2608896	2575552	2639317	2557733	2587687	2568605	2529025	2552596	2583260
PC 30:1	3141226	3835210	3256698	4602890	4287834	4829365	2548563	3220178	3321157	5433537	3684452	3817003
PC 30:0	1304590	1414645	1358297	1594342	1401267	1691940	1546079	1827415	1780050	2467225	1864476	1974634
PC 32:2	10515232	14012452	11079158	13773908	14908886	16847436	9489189	13187951	13676492	27639296	16247405	14958683
PC 32:1	16925360	22599171	18253669	25258771	25945923	28920690	19662235	24658458	22019788	43039432	27230079	24610546
PC 32:0	6528374	8636344	7858573	9156192	7936884	9725907	7397414	7987150	8314741	12457688	10547113	9737264
PC 34:4	678767	871015	746290	934528	874572	1124818	585198	782864	836696	1411054	1004255	1012061
PC 34:3	11177023	13938685	12607032	15338566	13861534	18157751	10058035	14586631	15048901	27575949	17312718	17351451
PC 34:2	40997447	53637267	47489317	57134227	52980972	65465037	41747605	56504849	55621314	91202079	62199705	60002773
PC 34:1	21480303	29145392	25326132	32583816	31122337	36458185	28635593	33699676	32290850	49347813	39407587	34298302
PC 34:0	1888560	2263220	2102146	2775184	2413423	2988397	1681796	1839791	2001778	2782099	2544129	2619594
PC 36:3	15967048	22462950	21123050	26596585	24085169	30898432	18007139	24322479	24932086	45611958	30689175	30862817
PC 36:2	15891343	21351296	19686357	27119696	24472913	33934618	17403237	21232744	20817296	37065544	26487878	24968529
PC 36:1	4105733	5432471	5224961	6739039	6161834	8118859	4658136	5528647	5242868	7337533	6741594	5640938
PC 36:0	38666	51773	45172	65184	60110	75968	31743	37664	40639	66167	57568	65646
PC 38:6	1805761	2710010	2488439	3292769	2967817	3887413	2070344	3027279	3046638	5139051	3840124	3792892
PC 38:3	33511	49770	41909	65283	50979	77737	37854	50980	51568	94792	75165	68363
PC 38:2	123560	171047	167904	229610	196033	251334	104232	134939	147228	211787	177766	170391
PC P-34:1 or PC O-34:2	136020	190229	170087	172400	157449	206763	115225	172821	180008	200469	149208	152928
PC P-34:0 or PC O-34:1	97392	138620	122382	141468	127876	160725	109607	129820	114786	167625	129188	136038
PC P-36:2 or PC O-36:3	106642	152483	136627	134488	108739	160260	48616	68579	88189	92315	74136	105613
PC P-36:1 or PC O-36:2	608651	809582	759999	861729	757901	1066558	472647	582215	642900	703163	620312	630909
PC P-36:0 or PC O-36:1	37969	56364	48376	54091	55222	64857	48473	52116	46332	67810	53920	58426
PE 32:1	6312405	8148956	5756037	7856200	8982056	8956637	5626654	6682767	6220981	9651244	6175807	6104738
PE 32:0	45077	62051	55533	40286	28327	38278	48353	65153	52264	57650	44070	43139
PE 34:2	12602031	16123045	13566359	16378827	16997432	19353959	13778987	17972202	15803242	31429563	18900858	17106607
PE 34:0	356816	487914	456131	380956	286737	362040	430904	496651	379136	531042	398388	435696
PE 36:4	7656038	9169005	8960662	9638187	8813098	11565533	6460108	8937380	9858449	14722510	10829581	10735482
PE 36:3	10533878	14045713	13243121	15537538	14466228	17958835	11150444	14306780	13985242	26928889	17489235	16849337
PE 36:2	512996	718303	670892	647112	569396	715123	594926	804222	641086	1285858	865813	716975
PE 36:1	1294321	1963337	1645713	1734226	1467917	1792509	1874631	2146771	1644220	2877766	2073744	1980701
PE 36:0	731456	982752	946320	890342	728346	917590	863790	950853	837634	1266697	1023862	1127877
PE 38:6	1250535	1639016	1550248	1787853	1681837	2055161	1319228	1652204	1603244	2888238	1996068	1898109
PE 38:5	20758	31312	26602	27636	24041	33632	26239	31290	25459	57933	35537	31521
PE 38:2	1170791	1703528	1605860	1599473	1261821	1688304	1292516	1640693	1475405	2365218	1790319	1913160
PE P-34:2 or PE O-34:3	142550	178970	155476	151606	142755	170531	159767	202101	200316	185616	159776	186976
PE P-34:1 or PE O-34:2	16330	28322	29052	24890	27715	32208	20989	31272	34956	50080	23716	27864
PE P-36:2 or PE O-36:3	8151631	10180554	9280783	10387252	8901904	11372429	7268503	8722513	10018147	10758834	9730704	11138482
PE P-36:1 or PE O-36:2	9002627	11068328	10374161	12472486	11990815	14807962	11291097	13000147	12668009	14263019	14067488	11937539
PI 32:2	22267	33097	24269	26474	33208	30976	21164	26633	33348	44673	36753	27704
PI 32:1	49240	65777	50623	74596	67844	70704	52310	61788	61854	107699	65497	60697
PI 34:2	77573	114719	85192	114925	113592	138117	94886	128114	140580	203748	143248	143158
PI 34:1	36086	46746	38193	63245	52700	59187	47243	57585	56010	86140	60283	55804
PI 36:4	89834	113314	115655	118799	114553	139262	94959	129789	141567	195802	147849	156534
PI 36:3	117649	153708	143929	163950	164218	209430	147991	209078	207912	303698	256598	232729
PI 36:2	39492	53962	51611	69750	59393	81777	54469	64965	68406	96355	73262	75820
PS 34:1	37094	52575	51142	49505	46836	52641	61774	75893	72039	83840	72863	63129
PS 34:0	104607	127853	112420	152793	157585	188032	97803	142869	120504	371781	149363	156285
PS 36:4	392869	507908	489776	588675	517830	636884	556018	648804	712809	1042117	843687	777198
PS 36:3	427029	530673	525536	584616	515451	642793	516547	622415	700947	952970	772934	756410
PS 36:2	56200	71331	68040	68979	66005	77749	50562	76374	74716	143427	71285	79042
PS 36:1	77347	97653	91244	111771	115368	138164	75924	110303	98822	237876	122660	126940
Sphingosine	456742	471098	465932	454141	476320	569884	493898	465378	471377	462764	450774	447908
Palmitoyl-EA	48460	47763	49400	50470	52642	50101	51789	49334	50112	49835	49765	51045
Coenzyme Q9	456213	555770	537893	506944	531766	566201	394311	589741	474118	959220	580698	533296
Cer 18:1;O2/16:0	110985	148080	121613	156442	170291	176291	143619	163158	163914	226317	177088	201914
CE 18:1	154947	186642	167400	195143	230812	265887	88851	101560	140947	165521	187470	187648
CE 18:2	355944	411299	381405	320216	399032	362878	194863	247231	284733	270304	347660	206763
DG 30:0	528750	633192	620823	819520	694927	845388	591032	670298	599371	755637	601098	681062
DG 32:0	126815	141772	157858	167354	147805	175981	203060	164979	212675	181993	135229	165529
DG 32:1	5747669	6494225	6777582	8453114	7315243	8702595	7429373	7587603	7269727	8308282	7576271	9463616
DG 32:2	3620804	4304571	4302057	5364771	4897188	5909665	4862884	5156455	4943546	5383682	5353627	6291665
DG 34:0	82924	81997	126959	100545	94013	102826	232261	87570	192998	93982	83805	93394
DG 34:1	2023619	2603915	2579856	3768627	2895918	3489191	3451055	3400344	3189446	3838778	2995384	4745055
DG 34:2	2204050	2580843	2574312	3365929	2841711	3485444	3223171	3604819	3307920	3396744	3164761	4239593
DG 34:3	644389	766388	743527	980131	837828	1075123	859924	970299	1021407	1019188	980235	1310310
DG 36:0	61728	57984	92695	62139	61224	62309	140546	60373	86846	61243	66585	52843
DG 36:1	108445	158078	136554	173991	144619	172077	167030	175763	171813	217330	157901	213589
DG 36:2	388905	477358	446203	623135	530488	623195	673472	705844	650685	715588	567402	890504
DG 36:3	266676	321406	294729	393223	334481	421335	446456	458342	418083	475747	453074	548965
DG 36:4	253084	266416	249873	281804	255726	273012	330998	309243	350543	352743	367992	369967
MG 14:1	38642	40977	37260	56961	48371	61769	35593	45226	41020	39649	46713	58462
MG 16:1	316500	349173	326436	428716	372802	481806	374747	476983	438544	443575	447249	527091
MG 18:0	101618	114523	197715	160349	121628	152250	255112	115765	281545	99178	147321	130251
TG 41:0	1915921	2646729	2291594	1220295	1007666	1136942	2168691	2165834	1895556	1492799	1309166	1552597
TG 42:0	10466898	10645836	10887199	10407950	10329584	10363169	9706342	9905887	9993862	10442533	9670679	9093945
TG 43:0	863947	1352243	1043856	522284	369935	461486	1040559	1020597	903772	649911	514567	594760
TG 43:1	3842633	4869888	4368670	2876739	2544611	2873344	4395412	4479485	3860545	3352115	3122210	3637299
TG 43:2	318656	431509	362115	264713	223509	278345	467869	483058	444976	311708	319507	434063
TG 44:0	4928289	5142113	5146602	5330167	5461748	5487887	4261375	5050669	4675747	5385950	4758577	3893623
TG 44:1	17780412	17548581	17087324	17931261	17536788	17943110	16571305	16581764	16727260	17225034	17215322	16737152
TG 44:2	17886173	17488994	17947327	19332510	19856944	20022937	17765147	18152328	18642657	18816420	18651616	19469074
TG 45:1	4377210	5478272	4792083	3563352	3072257	3548701	4511094	4550407	3996956	3934387	3707014	4065244
TG 45:2	1037933	1311321	1155629	779999	701965	870852	1525484	1409329	1321358	1003893	1033001	1378830
TG 46:0	1448974	1651911	1591947	1643147	1677092	1685549	1380738	1679644	1564574	1817824	1442748	1234833
TG 46:1	16944656	16625756	17270742	17622492	17410927	17831195	16396035	16900463	16938304	17025851	17341905	16766433
TG 46:2	18166803	17030692	18164265	19731185	19670365	19812326	17842863	18158393	18453344	19231377	18669412	18597160
TG 46:3	5438003	5293478	5486005	6051128	6280818	6521890	6277491	6134338	7045867	6017234	6398233	7831764
TG 46:4	148867	164625	147604	148853	164961	173093	169139	193244	256320	170664	166278	271324
TG 47:1	5610037	7272320	6300210	4643896	3933407	4849344	5978887	5969965	5376877	5291696	4818934	5468886
TG 47:2	3211900	4034451	3577507	2540366	2373690	2830439	4254447	4147812	3790290	3238862	3350963	4195352
TG 48:0	516208	638862	605191	594544	548314	541377	622801	727833	710136	804788	522344	578449
TG 48:1	16444008	17804783	17265124	17675849	17722460	17684428	17642077	17564491	17789182	18072586	17186766	17782438
TG 48:2	17445276	17110851	18003229	18575507	19367858	19594790	18015268	17667791	18830623	18513286	18852854	18478958
TG 48:3	10842726	10653605	10809920	11804074	12315068	12500270	12115732	11826130	12493213	11656403	12281164	13013927
TG 48:4	458571	459230	442599	466603	486001	524868	542331	553971	688223	482031	527148	727603
TG 49:1	4279611	6830984	4875626	3990690	3223834	3904805	6433390	6497324	5745045	4967405	4057934	6388815
TG 49:2	3464818	5056178	4131358	3079710	2821668	3265073	5680881	5660340	5232465	4003425	3575177	5826663
TG 49:3	225351	282777	264484	251613	211426	246632	235039	237554	274096	308399	344183	323909
TG 50:0	139515	178775	205246	154053	151232	155942	195494	208725	221120	249348	183859	172187
TG 50:1	8598119	11064141	9326161	10624006	11076410	10371451	12967044	13559043	12577164	13447074	10126699	13637447
TG 50:2	13840235	14644691	14360177	15582843	15848165	15482384	16244205	17025510	17019529	16502173	15803319	17118089
TG 50:3	8415471	8762187	8883399	9205104	10002940	10037409	10626011	10856265	11420884	9894601	9622701	11527259
TG 50:4	1237041	1230096	1289339	1340703	1510585	1617717	1584616	1658790	2118157	1368236	1661116	2059711
TG 51:1	1484492	3005258	1796739	1550963	1176390	1454472	3121703	3230468	2635766	2231786	1498123	3467748
TG 51:2	250573	411398	297605	275909	218293	276887	417717	457897	425670	319432	290589	506061
TG 51:3	268260	358741	295594	340494	301622	326182	352108	383051	462374	410281	429247	606495
TG 52:1	1678396	2781128	1884650	2070116	2240750	1958528	3185125	3396610	3049704	4074146	2440446	3591482
TG 52:2	4465660	6027899	4922985	5970149	5863475	5548166	8450205	9507088	8472662	8212667	5782734	9907111
TG 52:3	2727403	3211663	3074018	3599662	3651715	3580113	4932397	5656558	5558450	4337800	3688453	5942377
TG 52:4	1100678	1249304	1148598	1357711	1356618	1433753	1495421	1621368	1999546	1347806	1428105	1898619
TG 53:2	22092	53448	33163	36022	24675	31278	50970	65197	54404	44510	34500	74375
TG 53:3	94765	139483	120395	147845	131914	138844	172948	170029	210525	173199	168931	364512
TG 54:1	532184	891169	624195	661307	714829	669818	1056267	1137567	1101756	1636151	994339	1297985
TG 54:2	933825	1408167	1079021	1152450	1126346	1225449	1451417	1679550	1542353	3472241	2347494	1664521
TG 54:3	537262	716935	631987	729654	662679	824618	1085319	1132695	1086525	1318233	1033427	1392077
TG 54:4	181123	211608	206127	298021	248342	334612	312436	343928	389119	333895	328839	452468
TG 55:2	176737	264125	175449	189529	171674	206305	201692	333432	278725	589479	452432	204567
TG 55:3	44242	62270	39736	40836	38047	43381	52473	89687	85809	99736	81472	52565
TG 56:1	182653	269083	215984	250341	213331	292371	295122	354793	371963	490598	436490	396695
TG 56:2	685082	973099	876511	888961	755371	1036108	909997	1211097	1056221	2693867	1926585	1020753
TG 56:3	305715	372049	373303	334007	263635	415336	474614	700386	546632	2041518	1623825	581627
TG 56:4	7762	16081	12501	13090	17234	20924	20104	27641	31875	44681	51845	66029
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	MZ	RT	HMDB_ID	HMDB_ID_specificity (1=match,2=representative)
PC 12:0/12:0 [iSTD]	622.4436	6.75	internal standard	NA
LPC 14:0	468.3087	4.36	HMDB0010379	1
LPC 16:1	494.3240	4.52	HMDB0010383	2
LPC 16:0	496.3400	4.87	HMDB0010382	1
LPC 18:3	518.3242	4.43	HMDB0010387	2
LPC 18:2	520.3397	4.71	HMDB0010386	2
LPC 18:1	522.3555	5.06	HMDB0002815	2
LPC 18:0	524.3718	5.60	HMDB0010384	1
LPC 20:2	548.3715	5.22	HMDB0010392	1
LPE 16:1	452.2770	4.53	HMDB0011504	2
LPE 16:0	454.2929	4.88	HMDB0011503	1
LPE 18:3	476.2771	4.45	HMDB0011478	2
LPE 18:2	478.2929	4.72	HMDB0011507	2
LPE 18:1	480.3085	5.08	HMDB0011475	2
LPE 18:0	482.3246	5.62	HMDB0011130	1
LPE 20:1	508.3403	4.78	HMDB0011512	2
LPE 20:0	510.3560	5.29	HMDB0011481	1
PC 30:1	704.5221	8.06	HMDB0007870	2
PC 30:0	706.5375	8.41	HMDB0007869	2
PC 32:2	730.5376	8.23	HMDB0007874	2
PC 32:1	732.5533	8.56	HMDB0007873	2
PC 32:0	734.5689	8.87	HMDB0007871	2
PC 34:4	754.5375	8.07	HMDB0007883	2
PC 34:3	756.5531	8.38	HMDB0008006	2
PC 34:2	758.5687	8.71	HMDB0007973	2
PC 34:1	760.5845	9.02	HMDB0007972	2
PC 34:0	762.6000	9.31	HMDB0007970	2
PC 36:3	784.5842	8.85	HMDB0008105	2
PC 36:2	786.5999	9.16	HMDB0008039	2
PC 36:1	788.6155	9.44	HMDB0008038	2
PC 36:0	790.6316	9.70	HMDB0008036	2
PC 38:6	806.5658	8.85	HMDB0007991	2
PC 38:3	812.6157	9.26	HMDB0008047	2
PC 38:2	814.6319	9.58	HMDB0008270	2
PC P-34:1 or PC O-34:2	744.5893	9.02	HMDB0011210	2
PC P-34:0 or PC O-34:1	746.6050	9.33	HMDB0011208	2
PC P-36:2 or PC O-36:3	770.6048	9.20	HMDB0011244	2
PC P-36:1 or PC O-36:2	772.6206	9.45	HMDB0011243	2
PC P-36:0 or PC O-36:1	774.6366	9.72	HMDB0011241	2
PE 32:1	690.5060	8.57	HMDB0008924	2
PE 32:0	692.5221	8.15	HMDB0008923	2
PE 34:2	716.5218	8.71	HMDB0008928	2
PE 34:0	720.5534	8.64	HMDB0008925	2
PE 36:4	740.5215	8.53	HMDB0008937	2
PE 36:3	742.5373	8.85	HMDB0009060	2
PE 36:2	744.5533	8.47	HMDB0008994	2
PE 36:1	746.5688	8.79	HMDB0008993	2
PE 36:0	748.5844	9.09	HMDB0008991	2
PE 38:6	764.5192	8.85	HMDB0009102	2
PE 38:5	766.5338	8.47	HMDB0009069	2
PE 38:2	772.5844	8.93	HMDB0008942	2
PE P-34:2 or PE O-34:3	700.5271	8.75	HMDB0011343	2
PE P-34:1 or PE O-34:2	702.5425	9.31	HMDB0008952	2
PE P-36:2 or PE O-36:3	728.5583	9.21	HMDB0011441	2
PE P-36:1 or PE O-36:2	730.5740	9.45	HMDB0009017	2
PI 32:2	807.5013	7.64	HMDB0009798	2
PI 32:1	809.5173	7.99	HMDB0009779	2
PI 34:2	835.5329	8.15	HMDB0009784	2
PI 34:1	837.5475	8.46	HMDB0009783	2
PI 36:4	859.5330	8.00	HMDB0009789	2
PI 36:3	861.5480	8.29	HMDB0009838	2
PI 36:2	863.5634	8.62	HMDB0009809	2
PS 34:1	762.5288	8.64	HMDB0012357	2
PS 34:0	764.5430	8.21	HMDB0012356	2
PS 36:4	784.5117	8.10	HMDB0012361	2
PS 36:3	786.5268	8.41	HMDB0012391	2
PS 36:2	788.5432	8.03	HMDB0012380	2
PS 36:1	790.5587	8.35	HMDB0010163	2
Sphingosine	300.2892	3.98	HMDB0000252	1
Palmitoyl-EA	300.2894	5.17	HMDB0002100	1
Coenzyme Q9	817.6094	10.57	HMDB0006707	1
Cer 18:1;O2/16:0	538.5193	8.69	HMDB0004949	1
CE 18:1	673.5890	12.18	HMDB0000918	2
CE 18:2	671.5732	11.84	HMDB0000610	2
DG 30:0	563.4646	8.95	HMDB0007011	2
DG 32:0	591.4958	9.40	HMDB0007098	2
DG 32:1	589.4797	9.09	HMDB0007099	2
DG 32:2	587.4641	8.77	HMDB0007128	2
DG 34:0	619.5272	9.76	HMDB0007100	2
DG 34:1	617.5112	9.51	HMDB0007102	2
DG 34:2	615.4953	9.22	HMDB0007103	2
DG 34:3	613.4798	8.91	HMDB0007132	2
DG 36:0	647.5579	10.13	HMDB0007158	2
DG 36:1	645.5428	9.92	HMDB0007216	2
DG 36:2	643.5271	9.63	HMDB0007218	2
DG 36:3	641.5113	9.35	HMDB0007219	2
DG 36:4	639.4954	9.06	HMDB0007248	2
MG 14:1	323.2189	4.39	HMDB0011562	2
MG 16:1	351.2501	4.89	HMDB0011565	2
MG 18:0	381.2973	6.05	HMDB0011131	1
TG 41:0	731.6152	10.81	HMDB0072022	2
TG 42:0	745.6302	10.98	HMDB0072780	2
TG 43:0	759.6472	11.12	HMDB0042062	2
TG 43:1	757.6307	10.90	HMDB0042098	2
TG 43:2	755.6147	10.71	HMDB0043169	2
TG 44:0	773.6618	11.30	HMDB0042063	2
TG 44:1	771.6455	11.09	HMDB0042301	2
TG 44:2	769.6297	10.85	HMDB0042279	2
TG 45:1	785.6621	11.21	HMDB0042099	2
TG 45:2	783.6458	11.02	HMDB0043170	2
TG 46:0	801.6933	11.62	HMDB0010411	2
TG 46:1	799.6767	11.41	HMDB0010412	2
TG 46:2	797.6610	11.16	HMDB0010419	2
TG 46:3	795.6454	10.94	HMDB0042751	2
TG 46:4	793.6302	10.72	HMDB0042548	2
TG 47:1	813.6933	11.52	HMDB0042100	2
TG 47:2	811.6774	11.31	HMDB0042076	2
TG 48:0	829.7240	11.97	HMDB0005356	2
TG 48:1	827.7083	11.73	HMDB0005359	2
TG 48:2	825.6924	11.48	HMDB0005376	2
TG 48:3	823.6769	11.25	HMDB0005432	2
TG 48:4	821.6618	11.02	HMDB0042811	2
TG 49:1	841.7246	11.85	HMDB0011705	2
TG 49:2	839.7086	11.62	HMDB0011706	2
TG 49:3	837.6934	11.54	HMDB0042103	2
TG 50:0	857.7566	12.32	HMDB0005357	2
TG 50:1	855.7399	12.04	HMDB0005360	2
TG 50:2	853.7238	11.79	HMDB0005377	2
TG 50:3	851.7082	11.57	HMDB0005433	2
TG 50:4	849.6927	11.33	HMDB0005435	2
TG 51:1	869.7560	12.19	HMDB0042104	2
TG 51:2	867.7407	12.12	HMDB0005362	2
TG 51:3	865.7246	11.87	HMDB0011701	2
TG 52:1	883.7719	12.41	HMDB0005367	2
TG 52:2	881.7558	12.14	HMDB0005369	2
TG 52:3	879.7401	11.90	HMDB0005384	2
TG 52:4	877.7245	11.65	HMDB0005363	2
TG 53:2	895.7721	12.49	HMDB0042196	2
TG 53:3	893.7565	12.22	HMDB0043058	2
TG 54:1	911.8035	12.80	HMDB0005395	2
TG 54:2	909.7877	12.52	HMDB0005403	2
TG 54:3	907.7720	12.24	HMDB0005405	2
TG 54:4	905.7564	11.98	HMDB0005370	2
TG 55:2	923.8035	12.72	HMDB0042226	2
TG 55:3	921.7883	12.44	HMDB0042466	2
TG 56:1	939.8348	13.25	HMDB0005396	2
TG 56:2	937.8192	12.89	HMDB0005404	2
TG 56:3	935.8034	12.62	HMDB0005410	2
TG 56:4	933.7882	12.33	HMDB0005398	2
METABOLITES_END
#END