#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-07-14
#PROJECT
PR:PROJECT_TITLE    	shACADM Lipidomics
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Looking for changes in lipid levels with knock out of ACADM
PR:INSTITUTE        	University of Michigan
PR:DEPARTMENT       	Molecular and Integrative Physiology
PR:LABORATORY       	Lyssiotis Lab
PR:LAST_NAME        	Lyssiotis
PR:FIRST_NAME       	Costas
PR:ADDRESS          	Ann Arbor, MI
PR:EMAIL            	clyssiot@umich.edu
PR:PHONE            	734-615-9133
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Looking for changes in lipid levels with knock out of ACADM (shACADM)
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	GSC 8-11 cells (20 million) were transduced with lentivirus coding for shACADM 4, 6, or scr (control). ACADM is an enzyme responsible for the metabolism of medium chain fatty acids (C4-C12). A round of selection was performed using puromycin to ensure only cells that had been transduced survived. Knockdown of ACADM was confirmed via western blot. Pellets were collected by centrifuging cells for 10 min at max speed. The pellets were washed and each sample was split into quadruplicate.
ST:INSTITUTE        	University of Michigan
ST:DEPARTMENT       	Biomedical Research Core Facilities
ST:LABORATORY       	Metabolomics core
ST:LAST_NAME        	Kachman
ST:FIRST_NAME       	Maureen
ST:ADDRESS          	6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714
ST:EMAIL            	mkachman@med.umich.edu
ST:PHONE            	(734) 232-8175
ST:SUBMIT_DATE      	03/17/2016 02:51:22 PM
ST:NUM_GROUPS       	3
ST:TOTAL_SUBJECTS   	3
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0014234	S00021731	Transduced with: shACADM4	
SUBJECT_SAMPLE_FACTORS            	SU0014234	S00021732	Transduced with: shACADM4	
SUBJECT_SAMPLE_FACTORS            	SU0014234	S00021733	Transduced with: shACADM4	
SUBJECT_SAMPLE_FACTORS            	SU0014234	S00021734	Transduced with: shACADM4	
SUBJECT_SAMPLE_FACTORS            	SU0014235	S00021735	Transduced with: shACADM6	
SUBJECT_SAMPLE_FACTORS            	SU0014235	S00021736	Transduced with: shACADM6	
SUBJECT_SAMPLE_FACTORS            	SU0014235	S00021737	Transduced with: shACADM6	
SUBJECT_SAMPLE_FACTORS            	SU0014235	S00021738	Transduced with: shACADM6	
SUBJECT_SAMPLE_FACTORS            	SU0014236	S00021739	Transduced with: shACADMscr	
SUBJECT_SAMPLE_FACTORS            	SU0014236	S00021740	Transduced with: shACADMscr	
SUBJECT_SAMPLE_FACTORS            	SU0014236	S00021741	Transduced with: shACADMscr	
SUBJECT_SAMPLE_FACTORS            	SU0014236	S00021742	Transduced with: shACADMscr	
#SUBJECT
SU:SUBJECT_TYPE                   	HUMAN
SU:SUBJECT_SPECIES                	Homo sapiens
SU:TAXONOMY_ID                    	9606
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A004 - Shotgun Lipidomics.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE            	C18
CH:INSTRUMENT_NAME                	TripleTOF 5600+ (Absciex)
CH:COLUMN_NAME                    	ACQUITY UPLC HSS T3, 100A, 1.8mkm, 2.1mm X 50mm (Waters Corporation)
CH:METHODS_FILENAME               	LIP_15min_MSMS_Jenny_New_20min_Negative
#ANALYSIS
AN:ANALYSIS_TYPE                  	HRMSMS
AN:INSTRUMENT_NAME                	TripleTOF 5600+ (Absciex)
AN:ANALYSIS_PROTOCOL_FILE         	A004 - Shotgun Lipidomics.pdf
AN:ACQUISITION_PARAMETERS_FILE    	LIP_15min_MSMS_Jenny_New_20min_Negative
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	QTOF
MS:MS_TYPE                        	ESI
MS:ION_MODE                       	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area normalized
MS_METABOLITE_DATA_START
Sample	S00021731	S00021732	S00021733	S00021734	S00021735	S00021736	S00021737	S00021738	S00021739	S00021740	S00021741	S00021742
Factors	Transduced with: shACADM4	Transduced with: shACADM4	Transduced with: shACADM4	Transduced with: shACADM4	Transduced with: shACADM6	Transduced with: shACADM6	Transduced with: shACADM6	Transduced with: shACADM6	Transduced with: shACADMscr	Transduced with: shACADMscr	Transduced with: shACADMscr	Transduced with: shACADMscr
CL 62:1; [M-2H](2-)@5.51	10414	9693	18893	12421	18698	29895	32514	42442	21654	14949	27951	36070
CL 64:1; [M-2H](2-)@9.34	14216	17395	14557	10800	10378	8722	14562	15628	18659	21807	21990	18478
CL 66:1; [M-2H](2-)@9.58	36910	49591	40500	27399	26563	45605	39921	47688	41682	33934	34819	48465
CL 66:2; [M-2H](2-)@9.39	57968	57517	44060	41622	38019	41430	44577	37748	63495	51026	54392	53890
CL 66:3; [M-2H](2-)@5.66	20312	31016	26588	13772	35602	62052	53498	86756	81515	62400	48934	87439
CL 66:3; [M-2H](2-)@9.19	32442	28567	23945	21837	14263	25789	18968	32254	36808	36590	29022	30326
CL 66:4; [M-2H](2-)@8.96	17091	30577	5019	7955	20176	4164	5623	5983	10714	11536	5052	16001
CL 68:1; [M-2H](2-)@9.81	91602	123917	69436	99122	64832	82408	101564	86376	105380	96514	104429	69696
CL 68:2; [M-2H](2-)@9.57	322589	476104	269068	319506	194362	292653	297788	302384	266138	304275	234947	304445
CL 68:3; [M-2H](2-)@9.44	97484	122186	83572	83793	84283	84818	100784	87644	127772	116840	109980	112699
CL 68:4; [M-2H](2-)@9.22	45259	66309	31044	33433	35706	43244	25186	32739	47372	41107	41805	46566
CL 68:5; [M-2H](2-)@9.02	25439	48614	22954	25247	24573	24160	29181	30670	33645	27959	31440	39245
CL 70:1; [M-2H](2-)@6.11	25511	51179	26688	25005	39866	27154	39281	43555	27980	49708	27242	56464
CL 70:2; [M-2H](2-)@9.83	186481	239411	112463	166492	132271	136762	159953	128839	147671	106559	133672	163719
CL 70:3; [M-2H](2-)@9.61	249214	311895	220232	189643	157426	199428	191341	219394	182957	232973	175282	192243
CL 70:4; [M-2H](2-)@9.47	119810	154068	85129	107104	90691	107079	109242	114075	121875	134792	125437	158936
CL 70:5; [M-2H](2-)@9.28	127107	127042	128329	132393	143185	132031	150192	195090	165643	161788	192526	171378
CL 70:6; [M-2H](2-)@9.10	56235	88445	54849	59939	44210	61494	54399	64216	46207	56746	42992	72029
CL 72:2; [M-2H](2-)@10.02	26653	79791	16224	23096	36168	25261	24407	28834	23855	26759	6307	25220
CL 72:3; [M-2H](2-)@9.86	64532	121566	29663	55072	48364	71307	64204	60352	62539	63911	56500	53444
CL 72:4; [M-2H](2-)@9.69	118577	158892	83917	77745	63652	71446	93624	111821	85777	105167	77447	77939
CL 72:5; [M-2H](2-)@9.52	97738	146818	92650	97922	82375	115057	114709	110705	104565	118424	102708	116930
CL 72:6; [M-2H](2-)@9.32	128046	214534	132229	129632	97581	136842	130039	167921	115550	147616	130464	141765
CL 72:7; [M-2H](2-)@9.18	119384	140208	91552	108056	85573	83197	77177	128923	105092	108761	80769	123042
CL 72:8; [M-2H](2-)@8.97	42089	38287	42409	33281	31679	21414	37221	43400	39251	28786	27603	34993
CL 74:1; [M-2H](2-)@6.58	111861	120291	100277	93382	102207	136035	160523	153840	132354	128365	111611	137618
CL 74:11; [M-2H](2-)@5.57	17146	10300	15238	12581	18170	21247	18671	26887	15633	27593	21506	23223
CL 74:5; [M-2H](2-)@9.74	14149	25808	15788	15618	13612	17185	23059	18267	23578	15794	8899	25923
CL 74:6; [M-2H](2-)@9.57	41173	36772	36901	29480	27061	40349	33941	40893	45231	38678	38799	46512
CL 74:7; [M-2H](2-)@9.40	82875	118238	29812	36595	65596	41410	36769	46397	36282	51025	26833	68803
CL 74:7; [M-2H](2-)@6.01	179150	236894	140265	121081	122166	200081	216248	266539	181641	273906	182576	325732
CL 74:9; [M-2H](2-)@5.64	78207	97046	56024	46525	83449	83236	83820	93626	128432	115700	142204	176793
CL 76:8; [M-2H](2-)@9.44	11692	18032	10499	9968	11537	9152	10483	17304	17558	12626	17576	15078
CL 76:9; [M-2H](2-)@9.30	13726	16710	7734	6571	5247	12490	6764	4674	11469	5720	10246	12486
CL 78:11; [M-2H](2-)@9.67	26888	57294	7595	11741	19762	12352	7917	9434	10273	12443	6920	9427
CL 78:13; [M-2H](2-)@5.71	25561	31111	22031	15775	25383	28904	21162	31484	26611	32935	30940	50936
FFA(16:0)	24431390	30381990	19107793	21518084	14864808	21498115	20236253	37986842	24055767	22135400	16218071	23752511
FFA(18:0)	21312358	26610725	16196968	17723230	12568533	18640464	17093995	32887768	20027272	18957250	14517942	19670951
FFA(18:1)	1396055	2475538	1380738	1386559	1262937	1658537	1803915	1828382	1768278	1805225	1608444	2024540
FFA(18:2)	292105	502035	298619	293858	230869	293462	366926	327128	283431	323782	255150	310650
FFA(20:0)	423347	601071	359464	407524	311393	447057	421676	687446	456341	454211	312996	467300
FFA(20:1)	145634	238670	159941	144863	116441	176168	188109	176475	189802	187874	177498	230974
FFA(20:2)	185549	357962	223614	200297	165165	181851	230510	208055	207618	252540	190695	286346
FFA(20:4) Arachidonic acid	274918	491253	268500	245951	213666	169391	276423	252754	391959	363874	354817	484933
FFA(22:0)	184603	212398	135628	176143	147430	205705	226884	289630	197204	203833	154606	194980
FFA(22:1)	108839	225562	142110	95460	98195	116363	148449	132614	99528	134735	134721	148194
FFA(22:2)	61369	86567	63608	57264	49339	65718	68114	54548	72237	63260	65535	102950
FFA(22:3)	153223	247304	163486	131393	145489	181243	216238	228395	217015	204986	206446	255461
FFA(24:0)	359687	371515	296415	273615	219744	288382	321097	296833	282277	254115	216704	293519
FFA(24:1)	184753	245786	187567	168778	152718	165442	222045	186420	198773	198827	202575	243067
FFA(24:2)	44599	75017	51830	33706	19391	34077	30355	30737	38396	28867	44378	43129
FFA(24:3)	20454	25215	20404	13076	9269	12219	17523	23018	26531	21545	14842	23803
PE 32:0; [M-H]-@6.67	55796	46568	39174	35338	42116	53559	67109	52076	66750	68790	76809	90740
PE 32:0; [M-H]-@5.86	12490	28587	11998	14407	12131	9404	3877	19162	15236	14401	11952	16052
PE 33:0; [M-H]-@6.96	12717	6439	8394	11727	4958	13195	10888	12747	8253	8320	11534	11119
PE 33:1; [M-H]-@6.51	34623	37774	22802	28042	38528	42359	46810	54640	45688	54959	30490	52696
PE 34:3; [M-H]-@5.91	35732	49294	34075	38813	53849	73280	81147	83124	69949	68222	69300	78121
PE 34:4; [M-H]-@5.67	11061	17988	14304	16784	31184	37488	47068	51929	31667	35801	31938	22897
PE 35:0; [M-H]-@7.44	13474	8202	7497	2986	20123	15440	8964	10064	6960	20259	5807	8131
PE 35:3; [M-H]-@6.14	5867	7584	1433	3653	6449	6879	5206	11298	4777	6448	2097	11421
PE 36:0; [M-H]-@7.77	41812	28087	39637	36483	35087	36358	35808	42342	24936	27954	23580	39337
PE 36:1; [M-H]-@7.35	1322984	1856901	1246704	971456	1362522	1853500	1848964	2063882	1418396	1489104	1347522	1793869
PE 36:6; [M-H]-@5.47	20898	19822	19347	18719	24340	30320	22708	29013	28347	36133	29214	28583
PE 37:1; [M-H]-@7.46	13692	21434	8819	7094	10093	11927	28277	13574	5062	22686	14641	15365
PE 37:3; [M-H]-@6.90	12746	20236	15177	8634	10038	13533	14934	14904	12215	14257	17290	13286
PE 37:4; [M-H]-@6.63	35282	31329	28156	31448	24866	38483	49726	50268	35437	42372	34045	26908
PE 38:2; [M-H]-@7.44	172936	238336	141354	120488	224761	261931	192117	282639	196391	157610	151199	168348
PE 38:3; [M-H]-@7.17	637216	840652	548304	558950	782462	884029	799285	919030	904198	774037	792404	933396
PE 38:7; [M-H]-@5.69	37759	42778	32605	30495	32140	42456	33874	28685	33185	49736	39927	68261
PE 39:3; [M-H]-@7.28	26152	34892	9517	32549	15122	16828	26828	33191	18233	39658	14936	15855
PE 39:4; [M-H]-@6.99	43457	30687	88199	29526	36899	94612	60629	48654	42734	58481	33899	33426
PE 39:5; [M-H]-@6.60	38646	41318	30466	37332	29355	26076	45088	31649	25736	48801	20271	75998
PE 39:6; [M-H]-@6.54	15975	24335	12369	22909	15864	17448	22500	24453	13872	17574	21140	34143
PE 40:4; [M-H]-@7.27	789404	1327803	811136	728636	678392	868003	855390	898299	703268	801679	702958	877027
PE 40:8; [M-H]-@5.85	27584	44307	21429	13831	34448	33106	36232	35350	19420	24651	24811	48727
PE 42:4; [M-H]-@7.73	109767	110409	78729	82319	105826	60441	123060	94648	94401	203994	110624	45795
PE 42:7; [M-H]-@6.69	65504	86079	67751	56195	61010	63392	85678	77744	52932	86889	56206	86110
PE 44:4; [M-H]-@8.49	20224	50942	35652	15564	16602	12357	7752	14008	17788	21742	18126	38047
PG 32:0; [M-H]-@5.80	30526	51135	30599	25729	30508	33330	22457	21819	46589	30932	30341	35927
PG 32:1; [M-H]-@5.23	45684	72283	28947	31178	35179	35180	36651	48922	34780	49483	78024	56703
PG 33:0; [M-H]-@6.12	15894	48881	7848	8328	22166	7615	13277	15374	15991	15338	13994	13502
PG 33:1; [M-H]-@5.62	6421	19893	13280	5651	9419	7605	4858	9004	11417	15157	11143	13604
PG 34:1; [M-H]-@5.84	842946	1204060	792875	677205	577366	835089	802423	924956	908660	925379	824802	963883
PG 34:2; [M-H]-@5.25	163432	191434	149149	163430	116868	156327	168128	200745	139332	148639	124411	297228
PG 34:3; [M-H]-@4.78	37862	58039	30564	61696	41152	61051	51725	33647	41828	79464	67159	49976
PG 36:0; [M-H]-@6.95	555798	633235	476591	448807	449102	527302	584435	544116	566145	503149	513474	601838
PG 36:1; [M-H]-@6.50	320353	388612	314625	266289	355215	377557	528468	421537	485612	758459	396893	467814
PG 36:2; [M-H]-@5.70	311386	444982	614073	277826	274658	318569	824149	664985	671575	655363	594590	400584
PG 36:3; [M-H]-@5.28	347295	503256	190521	215176	230619	293370	146841	172705	237449	239853	278380	198847
PG 36:4; [M-H]-@4.89	168972	351361	220170	167448	137224	144485	163694	147669	111051	112672	171590	207611
PG 36:5; [M-H]-@4.52	51499	54933	57350	40891	45302	42971	24414	59519	45575	57186	68944	66635
PG 38:2; [M-H]-@6.63	42685	53936	39618	31965	41009	40318	47097	67864	75451	51702	34604	76465
PG 38:3; [M-H]-@5.87	214786	318231	179563	145625	149083	189926	188902	181501	207879	184979	198464	182453
PG 38:4; [M-H]-@5.53	389588	377524	272065	370483	352831	424456	317645	592816	419479	427254	366770	458193
PG 38:5; [M-H]-@5.11	256221	383109	223581	213840	184563	200161	215123	233143	214106	244719	221582	257204
PG 38:6; [M-H]-@4.81	133521	198896	135654	137041	70560	93575	124024	126666	103337	127935	133210	144189
PG 38:7; [M-H]-@4.48	32369	46461	25826	25162	19457	28264	24078	20609	32798	27565	28725	35993
PG 40:5; [M-H]-@5.62	304043	534284	126942	164288	143905	110484	117584	121260	119897	167306	71098	197274
PG 40:6; [M-H]-@5.35	199147	326260	103130	191616	110917	80638	149843	176371	154949	92531	169780	89313
PG 40:7; [M-H]-@5.05	162608	213642	155394	154717	121311	172670	181733	173711	209032	219803	205861	255185
PG 40:8; [M-H]-@4.72	101324	147791	128663	83378	74321	77515	66204	92595	70075	78718	78263	99525
PG 42:10; [M-H]-@4.63	35828	60407	32728	30673	25839	27866	30225	33755	32810	47727	38293	38984
PG 42:7; [M-H]-@5.48	47497	78437	56628	67951	27987	31190	42444	28495	99247	61498	57224	65393
PG 42:8; [M-H]-@5.32	54207	79246	51812	51996	29442	42008	33262	29149	41697	48053	45843	61363
PG 42:9; [M-H]-@4.90	58526	68911	45241	51292	40424	51713	69856	53080	56578	62553	58021	84699
PG 44:10; [M-H]-@5.16	21148	30450	14759	18581	6417	11501	8772	10005	10808	17571	12877	21892
PG 44:11; [M-H]-@4.92	31922	49079	34435	25197	10565	14235	17139	11453	19421	27561	32858	28522
PG 44:12; [M-H]-@4.58	26128	35912	18110	20860	13050	20751	26728	24156	23269	24973	22400	26754
PG 44:9; [M-H]-@5.42	150725	260611	110582	183273	78542	93370	126899	127648	114643	149769	97564	107032
PI 32:0; [M-H]-@5.63	28222	44661	57362	39076	24953	35671	37162	69447	53361	45816	48229	39610
PI 32:1; [M-H]-@5.15	51815	64452	40631	52553	49456	76203	68436	77848	85857	96107	91279	106506
PI 34:1; [M-H]-@5.73	513737	916600	534547	549178	463128	576804	646762	737136	605130	610001	672894	664663
PI 34:2; [M-H]-@5.31	90673	117339	66855	81320	92861	111768	118616	153087	92506	113397	102087	126048
PI 36:1; [M-H]-@6.35	147154	152718	140031	147284	160891	178975	249737	216725	183606	164820	174281	186885
PI 36:2; [M-H]-@5.91	346900	616321	336462	368857	309195	335848	285197	301671	256313	293528	342089	325706
PI 36:3; [M-H]-@5.51	435360	670042	298473	386255	415631	458002	488234	527811	490831	626423	530250	625536
PI 36:4; [M-H]-@5.28	581937	808754	470134	474529	385897	448219	594714	596168	667794	738440	763663	793498
PI 38:3; [M-H]-@6.15	2475489	3768204	2434590	2554338	2092097	2933708	3306690	3279165	2489708	3411100	2486565	2790882
PI 38:4; [M-H]-@5.81	7014593	12193837	7862138	7347781	8247033	8119272	10230541	11446491	7062243	8778574	11352720	10392226
PI 38:5; [M-H]-@5.46	529005	654968	463824	463671	446192	539898	620193	668341	643360	802873	650956	701870
PI 38:6; [M-H]-@5.14	45431	72830	39313	60058	51461	42077	61884	66730	88734	78720	92842	114005
PI 40:4; [M-H]-@6.34	155101	171151	140688	140204	120850	138786	164040	148848	207451	201074	211616	221622
PI 40:5; [M-H]-@5.98	674525	1164742	744377	803345	844214	746927	782348	1184398	698781	837248	852697	920316
PI 40:6; [M-H]-@5.82	153905	274533	132197	115844	129106	140639	201957	230800	146235	167092	122839	149132
PS 32:1; [M-H]-@5.25	8613	17237	7891	4286	9150	17462	16914	11732	15568	14491	15651	18271
PS 34:1; [M-H]-@5.89	180605	247083	154945	155499	248483	278442	297211	273570	225178	259927	252825	289059
PS 34:2; [M-H]-@5.41	26442	21523	20530	13681	22996	24370	32018	21154	14123	25088	10924	24995
PS 36:1; [M-H]-@6.43	1052254	1304498	912554	822220	1162405	1254376	1415395	1479538	1175897	1386625	1202304	1284940
PS 36:2; [M-H]-@5.93	328502	495405	329669	247307	332148	358571	415155	490340	300802	406249	314429	357689
PS 36:3; [M-H]-@5.65	52190	116021	22624	17510	54665	34953	47373	54171	26658	61541	12668	55308
PS 36:4; [M-H]-@5.38	2291	21045	14164	17637	9557	13523	7366	15318	18392	13032	25725	12794
PS 38:2; [M-H]-@6.56	171778	188276	169263	175367	219525	205082	268981	307540	205936	240514	214505	276599
PS 38:3; [M-H]-@6.24	531461	553491	486905	457505	574230	609019	663169	724037	519923	622369	461210	615553
PS 38:4; [M-H]-@5.94	248405	382110	279350	198128	378803	373013	355587	678501	329096	392715	383147	413122
PS 38:5; [M-H]-@5.48	37732	27345	15887	24674	21466	19749	25184	28118	23944	38095	20080	24364
PS 38:6; [M-H]-@5.28	17227	19432	16954	13063	24256	16566	24142	23211	15259	20579	17894	14609
PS 40:1; [M-H]-@7.52	105400	90653	98007	52738	79735	149188	121222	118655	119433	108832	67057	97347
PS 40:2; [M-H]-@7.04	44224	71097	65508	33815	41983	43025	57603	60500	64656	40224	48699	68271
PS 40:4; [M-H]-@6.44	619143	836106	574668	538881	473581	741775	643167	685574	601078	657910	611609	696816
PS 40:5; [M-H]-@6.08	757792	1460465	837093	680395	612759	904090	943050	1064946	743583	1030855	1097965	992130
PS 40:6; [M-H]-@5.89	539213	739736	549641	560619	700309	765071	735941	1073071	768777	773127	728549	893076
PS 42:1; [M-H]-@8.04	49290	56819	37049	35822	41229	55378	28498	26151	76460	59989	70882	53382
lysoPE 18:0; [M-H]-@2.40	83981	111044	70529	82894	168819	186892	221498	194350	102956	114139	115236	141905
lysoPE 20:4; [M-H]-@1.29	56853	89112	20141	27501	45601	31917	29148	40672	25908	45126	14329	59913
lysoPE 20:5; [M-H]-@1.08	7615	3996	1536	1976	4846	2863	2107	2353	2599	3567	2192	8077
lysoPE 22:5; [M-H]-@1.48	34827	30600	30307	36879	21950	20174	27614	21217	24385	22720	28029	28808
lysoPE 22:6; [M-H]-@1.24	9947	25860	14347	19912	10121	12788	13087	16446	12513	14225	10699	12055
plasmenyl-PE 30:0; [M-H]-@6.40	27163	38800	28665	26620	18054	25054	22852	30622	21331	26543	13567	22281
plasmenyl-PE 31:0; [M-H]-@6.62	12463	15053	13454	11119	9838	11481	14716	12541	8885	10559	14054	9059
plasmenyl-PE 33:0; [M-H]-@7.17	61734	105639	55462	57092	42523	45101	61343	73244	54191	55746	56495	52826
plasmenyl-PE 36:0; [M-H]-@8.08	61912	102004	69600	59426	67653	67774	85414	79710	83978	74534	82884	54999
plasmenyl-PE 36:2; [M-H]-@7.24	462854	637500	389256	412662	481939	548406	602216	563733	535125	495015	506087	566169
plasmenyl-PE 38:0; [M-H]-@8.50	21121	45908	25473	34677	51933	48295	48063	56747	40867	55552	34320	45303
plasmenyl-PE 38:1; [M-H]-@8.11	209208	239539	165247	170201	211359	247770	269475	242733	228256	185550	178073	237662
plasmenyl-PE 38:2; [M-H]-@7.74	208288	264281	200760	188610	307099	265664	281745	245718	239008	244710	294498	367325
plasmenyl-PE 38:3; [M-H]-@7.44	934831	1321884	892525	798240	782721	1002774	933152	1108269	797158	965285	827633	897327
plasmenyl-PE 38:4; [M-H]-@7.17	3247037	3962278	2863493	2654016	3178214	3418104	3097666	4276488	3515073	3732818	3324039	4027756
plasmenyl-PE 38:5; [M-H]-@6.70	1811267	2796288	1864741	1559345	1120470	1432869	1687677	1788410	1635083	1985876	1640316	1856322
plasmenyl-PE 38:6; [M-H]-@6.50	605822	760705	541488	506389	349622	369082	486943	421784	515063	613691	588103	627931
plasmenyl-PE 40:1; [M-H]-@8.54	80652	93962	56887	69928	77614	88922	108652	94289	87800	87972	102386	111467
plasmenyl-PE 40:4; [M-H]-@7.60	1078605	1181697	990303	926834	967428	1213902	1379831	1157296	1229072	1179268	1111439	1266452
plasmenyl-PE 40:6; [M-H]-@7.12	318817	396232	600532	528521	505168	582834	281256	659943	664905	640164	302089	742497
plasmenyl-PE 42:4; [M-H]-@8.00	221027	367119	255465	227828	181959	265395	245718	259903	218483	238082	189224	244486
plasmenyl-PE 42:5; [M-H]-@7.81	284307	423182	238942	257837	218248	306452	304670	355037	210139	269540	233528	273483
plasmenyl-PE 42:6; [M-H]-@7.69	162321	262126	162140	143074	159368	245175	189844	231798	162708	178425	151827	193377
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
CL 62:1; [M-2H](2-)@5.51		5.51					CL 62:1	LipidBLAST
CL 64:1; [M-2H](2-)@9.34		9.34					CL 64:1	LipidBLAST
CL 66:1; [M-2H](2-)@9.58		9.58					CL(66:1)	LipidMaps Bulk ID
CL 66:2; [M-2H](2-)@9.39		9.39					CL(66:2)	LipidMaps Bulk ID
CL 66:3; [M-2H](2-)@5.66		9.19					CL 66:3	LipidBLAST
CL 66:3; [M-2H](2-)@9.19		9.19					CL 66:3	LipidBLAST
CL 66:4; [M-2H](2-)@8.96		8.96					CL 66:4	LipidBLAST
CL 68:1; [M-2H](2-)@9.81		9.81					CL(68:1)	LipidMaps Bulk ID
CL 68:2; [M-2H](2-)@9.57		9.57					CL(68:2)	LipidMaps Bulk ID
CL 68:3; [M-2H](2-)@9.44		9.44					CL(68:3)	LipidMaps Bulk ID
CL 68:4; [M-2H](2-)@9.22		9.22					CL(68:4)	LipidMaps Bulk ID
CL 68:5; [M-2H](2-)@9.02		9.02					CL 68:5	LipidBLAST
CL 70:1; [M-2H](2-)@6.11		6.11					CL(70:1)	LipidMaps Bulk ID
CL 70:2; [M-2H](2-)@9.83		9.83					CL(70:2)	LipidMaps Bulk ID
CL 70:3; [M-2H](2-)@9.61		9.61					CL(70:3)	LipidMaps Bulk ID
CL 70:4; [M-2H](2-)@9.47		9.47					CL(70:4)	LipidMaps Bulk ID
CL 70:5; [M-2H](2-)@9.28		9.28					CL(70:5)	LipidMaps Bulk ID
CL 70:6; [M-2H](2-)@9.10		9.1					CL(70:6)	LipidMaps Bulk ID
CL 72:2; [M-2H](2-)@10.02		10.02					CL(72:2)	LipidMaps Bulk ID
CL 72:3; [M-2H](2-)@9.86		9.86					CL(72:3)	LipidMaps Bulk ID
CL 72:4; [M-2H](2-)@9.69		9.69					CL(72:4)	LipidMaps Bulk ID
CL 72:5; [M-2H](2-)@9.52		9.52					CL(72:5)	LipidMaps Bulk ID
CL 72:6; [M-2H](2-)@9.32		9.32					CL(72:6)	LipidMaps Bulk ID
CL 72:7; [M-2H](2-)@9.18		9.18					CL(72:7)	LipidMaps Bulk ID
CL 72:8; [M-2H](2-)@8.97		8.97					CL(72:8)	LipidMaps Bulk ID
CL 74:1; [M-2H](2-)@6.58		6.58					CL(74:1)	LipidMaps Bulk ID
CL 74:11; [M-2H](2-)@5.57		5.57					CL 74:11	LipidBLAST
CL 74:5; [M-2H](2-)@9.74		9.74					CL(74:5)	LipidMaps Bulk ID
CL 74:6; [M-2H](2-)@9.57		9.57					CL(74:6)	LipidMaps Bulk ID
CL 74:7; [M-2H](2-)@9.40		9.4					CL(74:7)	LipidMaps Bulk ID
CL 74:7; [M-2H](2-)@6.01		9.4					CL(74:7)	LipidMaps Bulk ID
CL 74:9; [M-2H](2-)@5.64		5.64					CL(74:9)	LipidMaps Bulk ID
CL 76:8; [M-2H](2-)@9.44		9.44					CL(76:8)	LipidMaps Bulk ID
CL 76:9; [M-2H](2-)@9.30		9.3					CL(76:9)	LipidMaps Bulk ID
CL 78:11; [M-2H](2-)@9.67		9.67					CL 78:11	LipidBLAST
CL 78:13; [M-2H](2-)@5.71		5.71					CL(78:13)	LipidMaps Bulk ID
FFA(16:0)							FA(16:0)	LipidMaps Bulk ID
FFA(18:0)				5281			LMFA01010018	LipidMaps
FFA(18:1)							FA(18:1)	LipidMaps Bulk ID
FFA(18:2)							FA(18:2)	LipidMaps Bulk ID
FFA(20:0)				10467			LMFA01010020	LipidMaps
FFA(20:1)							FA(20:1)	LipidMaps Bulk ID
FFA(20:2)							FA(20:2)	LipidMaps Bulk ID
FFA(20:4) Arachidonic acid							FA(20:4)	LipidMaps Bulk ID
FFA(22:0)				8215			LMFA01010022	LipidMaps
FFA(22:1)							FA(22:1)	LipidMaps Bulk ID
FFA(22:2)							FA(22:2)	LipidMaps Bulk ID
FFA(22:3)							FA(22:3)	LipidMaps Bulk ID
FFA(24:0)				11197			LMFA01010024	LipidMaps
FFA(24:1)							FA(24:1)	LipidMaps Bulk ID
FFA(24:2)							FA(24:2)	LipidMaps Bulk ID
FFA(24:3)				52921854			LMFA01030902	LipidMaps
PE 32:0; [M-H]-@6.67		6.67					PE(32:0)	LipidMaps Bulk ID
PE 32:0; [M-H]-@5.86		6.67					PE(32:0)	LipidMaps Bulk ID
PE 33:0; [M-H]-@6.96		6.96					PE(33:0)	LipidMaps Bulk ID
PE 33:1; [M-H]-@6.51		6.51					PE(33:1)	LipidMaps Bulk ID
PE 34:3; [M-H]-@5.91		5.91					PE(34:3)	LipidMaps Bulk ID
PE 34:4; [M-H]-@5.67		5.67					PE(34:4)	LipidMaps Bulk ID
PE 35:0; [M-H]-@7.44		7.44					PE(35:0)	LipidMaps Bulk ID
PE 35:3; [M-H]-@6.14		6.14					PE(35:3)	LipidMaps Bulk ID
PE 36:0; [M-H]-@7.77		7.77					PE(36:0)	LipidMaps Bulk ID
PE 36:1; [M-H]-@7.35		7.35					PE(36:1)	LipidMaps Bulk ID
PE 36:6; [M-H]-@5.47		5.47					PE(36:6)	LipidMaps Bulk ID
PE 37:1; [M-H]-@7.46		7.46					PE(37:1)	LipidMaps Bulk ID
PE 37:3; [M-H]-@6.90		6.9					PE(37:3)	LipidMaps Bulk ID
PE 37:4; [M-H]-@6.63		6.63					PE(37:4)	LipidMaps Bulk ID
PE 38:2; [M-H]-@7.44		7.44					PE(38:2)	LipidMaps Bulk ID
PE 38:3; [M-H]-@7.17		7.17					PE(38:3)	LipidMaps Bulk ID
PE 38:7; [M-H]-@5.69		5.69					PE(38:7)	LipidMaps Bulk ID
PE 39:3; [M-H]-@7.28		7.28					PE(39:3)	LipidMaps Bulk ID
PE 39:4; [M-H]-@6.99		6.99					PE(39:4)	LipidMaps Bulk ID
PE 39:5; [M-H]-@6.60		6.6					PE(39:5)	LipidMaps Bulk ID
PE 39:6; [M-H]-@6.54		6.54					PE(39:6)	LipidMaps Bulk ID
PE 40:4; [M-H]-@7.27		7.27					PE(40:4)	LipidMaps Bulk ID
PE 40:8; [M-H]-@5.85		5.85					PE(40:8)	LipidMaps Bulk ID
PE 42:4; [M-H]-@7.73		7.73					PE(42:4)	LipidMaps Bulk ID
PE 42:7; [M-H]-@6.69		6.69					PE(42:7)	LipidMaps Bulk ID
PE 44:4; [M-H]-@8.49		8.49					PE(44:4)	LipidMaps Bulk ID
PG 32:0; [M-H]-@5.80		5.8					PG(32:0)	LipidMaps Bulk ID
PG 32:1; [M-H]-@5.23		5.23					PG(32:1)	LipidMaps Bulk ID
PG 33:0; [M-H]-@6.12		6.12					PG(33:0)	LipidMaps Bulk ID
PG 33:1; [M-H]-@5.62		5.62					PG(33:1)	LipidMaps Bulk ID
PG 34:1; [M-H]-@5.84		5.84					PG(34:1)	LipidMaps Bulk ID
PG 34:2; [M-H]-@5.25		5.25					PG(34:2)	LipidMaps Bulk ID
PG 34:3; [M-H]-@4.78		4.78					PG(34:3)	LipidMaps Bulk ID
PG 36:0; [M-H]-@6.95		6.95					PG(36:0)	LipidMaps Bulk ID
PG 36:1; [M-H]-@6.50		6.5					PG(36:1)	LipidMaps Bulk ID
PG 36:2; [M-H]-@5.70		5.7					PG(36:2)	LipidMaps Bulk ID
PG 36:3; [M-H]-@5.28		5.28					PG(36:3)	LipidMaps Bulk ID
PG 36:4; [M-H]-@4.89		4.89					PG(36:4)	LipidMaps Bulk ID
PG 36:5; [M-H]-@4.52		4.52					PG(36:5)	LipidMaps Bulk ID
PG 38:2; [M-H]-@6.63		6.63					PG(38:2)	LipidMaps Bulk ID
PG 38:3; [M-H]-@5.87		5.87					PG(38:3)	LipidMaps Bulk ID
PG 38:4; [M-H]-@5.53		5.53					PG(38:4)	LipidMaps Bulk ID
PG 38:5; [M-H]-@5.11		5.11					PG(38:5)	LipidMaps Bulk ID
PG 38:6; [M-H]-@4.81		4.81					PG(38:6)	LipidMaps Bulk ID
PG 38:7; [M-H]-@4.48		4.48					PG(38:7)	LipidMaps Bulk ID
PG 40:5; [M-H]-@5.62		5.62					PG(40:5)	LipidMaps Bulk ID
PG 40:6; [M-H]-@5.35		5.35					PG(40:6)	LipidMaps Bulk ID
PG 40:7; [M-H]-@5.05		5.05					PG(40:7)	LipidMaps Bulk ID
PG 40:8; [M-H]-@4.72		4.72					PG(40:8)	LipidMaps Bulk ID
PG 42:10; [M-H]-@4.63		4.63					PG(42:10)	LipidMaps Bulk ID
PG 42:7; [M-H]-@5.48		5.48					PG(42:7)	LipidMaps Bulk ID
PG 42:8; [M-H]-@5.32		5.32					PG(42:8)	LipidMaps Bulk ID
PG 42:9; [M-H]-@4.90		4.9					PG(42:9)	LipidMaps Bulk ID
PG 44:10; [M-H]-@5.16		5.16					PG(44:10)	LipidMaps Bulk ID
PG 44:11; [M-H]-@4.92		4.92					PG 44:11	LipidBLAST
PG 44:12; [M-H]-@4.58		4.58		52927240			LMGP04010977	LipidMaps
PG 44:9; [M-H]-@5.42		5.42					PG 44:9	LipidBLAST
PI 32:0; [M-H]-@5.63		5.63					PI(32:0)	LipidMaps Bulk ID
PI 32:1; [M-H]-@5.15		5.15					PI(32:1)	LipidMaps Bulk ID
PI 34:1; [M-H]-@5.73		5.73					PI(34:1)	LipidMaps Bulk ID
PI 34:2; [M-H]-@5.31		5.31					PI(34:2)	LipidMaps Bulk ID
PI 36:1; [M-H]-@6.35		6.35					PI(36:1)	LipidMaps Bulk ID
PI 36:2; [M-H]-@5.91		5.91					PI(36:2)	LipidMaps Bulk ID
PI 36:3; [M-H]-@5.51		5.51					PI(36:3)	LipidMaps Bulk ID
PI 36:4; [M-H]-@5.28		5.28					PI(36:4)	LipidMaps Bulk ID
PI 38:3; [M-H]-@6.15		6.15					PI(38:3)	LipidMaps Bulk ID
PI 38:4; [M-H]-@5.81		5.81					PI(38:4)	LipidMaps Bulk ID
PI 38:5; [M-H]-@5.46		5.46					PI(38:5)	LipidMaps Bulk ID
PI 38:6; [M-H]-@5.14		5.14					PI(38:6)	LipidMaps Bulk ID
PI 40:4; [M-H]-@6.34		6.34					PI(40:4)	LipidMaps Bulk ID
PI 40:5; [M-H]-@5.98		5.98					PI(40:5)	LipidMaps Bulk ID
PI 40:6; [M-H]-@5.82		5.82					PI(40:6)	LipidMaps Bulk ID
PS 32:1; [M-H]-@5.25		5.25					PS(32:1)	LipidMaps Bulk ID
PS 34:1; [M-H]-@5.89		5.89					PS(34:1)	LipidMaps Bulk ID
PS 34:2; [M-H]-@5.41		5.41					PS(34:2)	LipidMaps Bulk ID
PS 36:1; [M-H]-@6.43		6.43					PS(36:1)	LipidMaps Bulk ID
PS 36:2; [M-H]-@5.93		5.93					PS(36:2)	LipidMaps Bulk ID
PS 36:3; [M-H]-@5.65		5.65					PS(36:3)	LipidMaps Bulk ID
PS 36:4; [M-H]-@5.38		5.38					PS(36:4)	LipidMaps Bulk ID
PS 38:2; [M-H]-@6.56		6.56					PS(38:2)	LipidMaps Bulk ID
PS 38:3; [M-H]-@6.24		6.24					PS(38:3)	LipidMaps Bulk ID
PS 38:4; [M-H]-@5.94		5.94					PS(38:4)	LipidMaps Bulk ID
PS 38:5; [M-H]-@5.48		5.48					PS(38:5)	LipidMaps Bulk ID
PS 38:6; [M-H]-@5.28		5.28					PS(38:6)	LipidMaps Bulk ID
PS 40:1; [M-H]-@7.52		7.52					PS(40:1)	LipidMaps Bulk ID
PS 40:2; [M-H]-@7.04		7.04					PS(40:2)	LipidMaps Bulk ID
PS 40:4; [M-H]-@6.44		6.44					PS(40:4)	LipidMaps Bulk ID
PS 40:5; [M-H]-@6.08		6.08					PS(40:5)	LipidMaps Bulk ID
PS 40:6; [M-H]-@5.89		5.89					PS(40:6)	LipidMaps Bulk ID
PS 42:1; [M-H]-@8.04		8.04					PS(42:1)	LipidMaps Bulk ID
lysoPE 18:0; [M-H]-@2.40		2.4					LPE(18:0)	LipidMaps Bulk ID
lysoPE 20:4; [M-H]-@1.29		1.29					LPE(20:4)	LipidMaps Bulk ID
lysoPE 20:5; [M-H]-@1.08		1.08					LPE(20:5)	LipidMaps Bulk ID
lysoPE 22:5; [M-H]-@1.48		1.48					LPE(22:5)	LipidMaps Bulk ID
lysoPE 22:6; [M-H]-@1.24		1.24					LPE(22:6)	LipidMaps Bulk ID
plasmenyl-PE 30:0; [M-H]-@6.40		6.4					PE(P-30:0)	LipidMaps Bulk ID
plasmenyl-PE 31:0; [M-H]-@6.62		6.62					PE(P-31:0)	LipidMaps Bulk ID
plasmenyl-PE 33:0; [M-H]-@7.17		7.17					PE(P-33:0)	LipidMaps Bulk ID
plasmenyl-PE 36:0; [M-H]-@8.08		8.08					PE(P-36:0)	LipidMaps Bulk ID
plasmenyl-PE 36:2; [M-H]-@7.24		7.24					PE(P-36:2)	LipidMaps Bulk ID
plasmenyl-PE 38:0; [M-H]-@8.50		8.5					PE(P-38:0)	LipidMaps Bulk ID
plasmenyl-PE 38:1; [M-H]-@8.11		8.11					PE(P-38:1)	LipidMaps Bulk ID
plasmenyl-PE 38:2; [M-H]-@7.74		7.74					PE(P-38:2)	LipidMaps Bulk ID
plasmenyl-PE 38:3; [M-H]-@7.44		7.44					PE(P-38:3)	LipidMaps Bulk ID
plasmenyl-PE 38:4; [M-H]-@7.17		7.17					PE(P-38:4)	LipidMaps Bulk ID
plasmenyl-PE 38:5; [M-H]-@6.70		6.7					PE(P-38:5)	LipidMaps Bulk ID
plasmenyl-PE 38:6; [M-H]-@6.50		6.5					PE(P-38:6)	LipidMaps Bulk ID
plasmenyl-PE 40:1; [M-H]-@8.54		8.54					PE(P-40:1)	LipidMaps Bulk ID
plasmenyl-PE 40:4; [M-H]-@7.60		7.6					PE(P-40:4)	LipidMaps Bulk ID
plasmenyl-PE 40:6; [M-H]-@7.12		7.12					PE(P-40:6)	LipidMaps Bulk ID
plasmenyl-PE 42:4; [M-H]-@8.00		8					PE(P-42:4)	LipidMaps Bulk ID
plasmenyl-PE 42:5; [M-H]-@7.81		7.81					plasmenyl-PE 42:5	LipidBLAST
plasmenyl-PE 42:6; [M-H]-@7.69		7.69					PE(P-42:6)	LipidMaps Bulk ID
METABOLITES_END
