#METABOLOMICS WORKBENCH araskind_20170605_140033 DATATRACK_ID:965 STUDY_ID:ST000681 ANALYSIS_ID:AN001049 PROJECT_ID:PR000481
VERSION             	1
CREATED_ON             	June 30, 2017, 11:37 am
#PROJECT
PR:PROJECT_TITLE                 	Retinal tissue knockout to study efflux of cholesterol (AGCA1/G1 double KO)
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	ABCA1 and AGCG1, which is important gene to efflux the cholesterol from the
PR:PROJECT_SUMMARY               	cell/tissue, are knocked out in specific retinal tissue.
PR:INSTITUTE                     	Washington University in St Louis
PR:DEPARTMENT                    	Department of Ophthalmology and visual sicences
PR:LABORATORY                    	Apte Lab
PR:LAST_NAME                     	Ban
PR:FIRST_NAME                    	Norimitsu
PR:ADDRESS                       	660 S. Euclid Ave. Box 8118 St. Louis, MO 63110
PR:EMAIL                         	BanN@vision.wustl.edu
PR:PHONE                         	314-362-6690
#STUDY
ST:STUDY_TITLE                   	ARetinal tissue knockout to study efflux of cholesterol (AGCA1/G1 double KO - TY
ST:STUDY_TITLE                   	and LysM cre)
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	ABCA1 and AGCG1, which is important gene to efflux the cholesterol from the
ST:STUDY_SUMMARY                 	cell/tissue, are knocked out in specific retinal tissue. T:RPE specific,
ST:STUDY_SUMMARY                 	L:macrophage specific.
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:NUM_GROUPS                    	5
ST:TOTAL_SUBJECTS                	16
#SUBJECT
SU:SUBJECT_TYPE                  	Mouse
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0019504	S00027103	CRE:negative | SEX:m	
SUBJECT_SAMPLE_FACTORS           	SU0019505	S00027104	CRE:negative | SEX:f	
SUBJECT_SAMPLE_FACTORS           	SU0019506	S00027105	CRE:negative | SEX:f	
SUBJECT_SAMPLE_FACTORS           	SU0019507	S00027106	CRE:negative | SEX:m	
SUBJECT_SAMPLE_FACTORS           	SU0019508	S00027107	CRE:Tyrosinase Cre | SEX:m	
SUBJECT_SAMPLE_FACTORS           	SU0019509	S00027108	CRE:Tyrosinase Cre | SEX:f	
SUBJECT_SAMPLE_FACTORS           	SU0019510	S00027109	CRE:Tyrosinase Cre | SEX:m	
SUBJECT_SAMPLE_FACTORS           	SU0019511	S00027110	CRE:Tyrosinase Cre | SEX:m	
SUBJECT_SAMPLE_FACTORS           	SU0019512	S00027111	CRE:negative | SEX:m	
SUBJECT_SAMPLE_FACTORS           	SU0019513	S00027112	CRE:negative | SEX:m	
SUBJECT_SAMPLE_FACTORS           	SU0019514	S00027113	CRE:negative | SEX:m	
SUBJECT_SAMPLE_FACTORS           	SU0019515	S00027114	CRE:negative | SEX:f	
SUBJECT_SAMPLE_FACTORS           	SU0019516	S00027115	CRE:LysM Cre | SEX:f	
SUBJECT_SAMPLE_FACTORS           	SU0019517	S00027116	CRE:LysM Cre | SEX:f	
SUBJECT_SAMPLE_FACTORS           	SU0019518	S00027117	CRE:LysM Cre | SEX:f	
SUBJECT_SAMPLE_FACTORS           	SU0019519	S00027118	CRE:LysM Cre | SEX:f	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
SP:SAMPLEPREP_PROTOCOL_FILENAME  	A004 - Shotgun Lipidomics.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
MS:INSTRUMENT_NAME               	ABI Sciex 5600+ TripleTOF
CH:COLUMN_NAME                   	Waters Acquity HSS T3 (50 x 2.1mm, 1.8um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	A004 - Shotgun Lipidomics.pdf
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	ABI Sciex 5600+ TripleTOF
MS:INSTRUMENT_TYPE               	Triple TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	peak area normalized
MS_METABOLITE_DATA_START
Samples	S00027103	S00027104	S00027105	S00027106	S00027107	S00027108	S00027109	S00027110	S00027111	S00027112	S00027113	S00027114	S00027115	S00027116	S00027117	S00027118
Factors	CRE:negative | SEX:m	CRE:negative | SEX:f	CRE:negative | SEX:f	CRE:negative | SEX:m	CRE:Tyrosinase Cre | SEX:m	CRE:Tyrosinase Cre | SEX:f	CRE:Tyrosinase Cre | SEX:m	CRE:Tyrosinase Cre | SEX:m	CRE:negative | SEX:m	CRE:negative | SEX:m	CRE:negative | SEX:m	CRE:negative | SEX:f	CRE:LysM Cre | SEX:f	CRE:LysM Cre | SEX:f	CRE:LysM Cre | SEX:f	CRE:LysM Cre | SEX:f
DG 32:0; [M+NH4]+@7.88	35306.86306	63454.76137	31980.93358	61607.32711	40878.80153	38707.11975	48311.68518	37442.99309	47697.09442	40412.43474	52463.37688	52528.88348	53918.52774	48688.12508	55546.82424	77478.828
DG 34:0; [M+NH4]+@8.40	33189.09496	48111.5292	29043.04585	37108.72788	24005.92778	22407.75411	15762.25099	27586.61282	21972.5785	12624.7161	11507.64894	16792.30947	32225.74071	21544.63081	20621.13884	26723.57497
DG 34:2; [M+NH4]+@7.61	5753.978027	13417.53408	8661.062532	11657.87976	13300.46405	8265.644359	7535.389823	6265.429052	9530.647138	7347.19882	9698.230731	7523.229818	10823.7158	3377.696455	8389.895335	8886.869944
DG 35:1; [M+NH4]+@8.20	342.1301537	1130.889633	1738.904228	1774.015489	1479.732555	1338.230323	166.0129693	330.3628928	1706.900794	60.59278991	233.8936334	1545.197623	772.324412	1682.992691	1112.962933	657.1240549
DG 36:0; [M+NH4]+@8.88	8242.611711	5904.444093	7089.31259	9475.123711	5877.134272	11028.50261	6465.84123	9174.090786	6292.053069	5477.078914	6495.381916	4670.63423	16165.61715	8469.370819	6724.381685	9819.699691
DG 36:1; [M+NH4]+@8.48	11521.74137	11334.84516	11297.68691	12315.46632	7164.132902	6508.265404	8932.418327	6349.990195	9618.724691	8308.102481	13522.58032	6108.142873	16656.77085	8380.064753	17189.43189	10138.81313
DG 36:2; [M+NH4]+@8.10	17837.54428	19632.30597	14037.18756	15607.59998	7508.279988	5758.194989	2555.634476	8284.461149	8291.178864	3631.841173	3395.404726	8108.312693	9825.675443	13354.10104	11148.23225	8696.39275
DG 36:3; [M+NH4]+@7.76	11571.01829	19368.77911	9920.740801	17796.59804	11426.1144	23769.64379	14373.44983	22616.4978	21213.78654	14848.19924	15577.06249	22475.60883	9084.982723	17123.13635	13751.26133	17951.10845
DG 36:4; [M+NH4]+@7.53	87617.11567	106509.8413	78139.03372	109103.1046	142950.2796	121081.2026	73099.14544	67580.18808	77346.51879	63325.11916	49876.469	107924.2906	41304.856	41303.47979	69181.17509	79367.27535
DG 38:3; [M+NH4]+@8.31	21453.45452	19847.97031	18136.06238	17710.18807	15988.88707	13726.85313	12491.98023	10610.472	13595.77497	15408.18661	22618.40702	22354.42208	11973.2756	10952.19049	22483.1306	26203.60405
DG 38:4; [M+NH4]+@8.05	176178.8451	162107.6413	143590.0904	165559.0965	146728.8769	190526.4165	96306.44571	103918.4347	134726.2257	116542.7997	133190.1409	244464.4869	137487.0807	88911.84271	162818.9998	198569.8889
DG 38:5; [M+NH4]+@7.66	18019.86703	32519.62693	27888.91027	26318.27177	26196.1265	26693.2318	17254.86772	27968.33655	20059.73774	11979.42118	19949.68632	23444.50959	13884.15885	13373.21253	18944.95787	25501.57518
DG 38:6; [M+NH4]+@7.44	66195.68384	75945.75394	57046.43294	100864.828	85989.91671	75520.44614	86635.9615	83190.85692	84770.70904	56117.73679	82400.6887	77970.80751	42488.43439	39350.65499	75020.52983	83321.31929
DG 40:4; [M+NH4]+@8.43	1621.765456	4702.368917	3270.882012	2080.853815	1090.035834	2335.852176	2194.377652	2465.290513	1107.960394	1522.252096	2613.584268	2317.611979	2719.401191	2979.765443	2402.177659	3155.708379
DG 40:6; [M+NH4]+@7.97	111152.5773	102354.5813	86244.00489	137563.2673	107255.1122	116676.6993	99157.69475	104928.3134	113188.0759	87204.82229	90746.58555	88033.50157	101160.1945	107663.5326	86382.80805	114301.6727
DG 42:10; [M+NH4]+@7.06	27758.00597	16964.33768	8466.175222	14679.69122	13401.75459	13358.71762	17435.46753	9158.074158	12046.53709	13932.34093	20443.84483	17179.99406	6563.946522	11460.32095	15096.45214	11459.24443
DG 44:12; [M+NH4]+@6.99	17308.46729	15392.67392	13330.97042	16605.9722	19006.75851	10311.44838	19725.98346	16885.62293	19402.99515	15310.2299	24241.09313	14481.41345	18354.32389	19090.71219	18304.73792	22287.49276
MG 17:0; [M+Li]+@3.15	115791.5787	96852.0246	99394.79659	109372.2433	86902.11262	101575.1019	89700.39779	86546.63233	108443.2912	92700.72803	97990.45202	92095.72734	110908.7722	89423.53926	84327.42757	118829.5211
PC 30:1; [M+Na]+@5.49	9778.542745	6616.111892	8574.511942	6579.885811	6730.461877	10112.14561	8017.543764	7990.366257	7471.90271	5577.637947	12989.18545	5595.935209	11119.0245	12545.73734	7908.420647	11919.50619
PC 32:0; [M+H]+@6.59	22212545.92	20557162.06	19201008.46	24811502.98	20733236.77	21316685.03	20667591.8	20566191.04	23942766.63	20389905.8	25812232.74	20164586.47	25125156.55	23170274.66	21274357.18	25346388.34
PC 32:3; [M+H]+@6.05	52214.17438	34043.54668	43549.67205	58776.08655	31382.3541	36126.2837	56351.40982	43183.55408	48513.34069	56990.77035	76494.22854	54285.54511	73180.30544	62312.51044	50455.13395	97200.44458
PC 34:4; [M+Na]+@5.63	3455.636805	1509.692027	3442.16098	1418.820184	3669.370643	1633.497527	2455.178742	12556.8409	4103.467125	624.4272165	3469.546823	1118.906627	1654.807639	3821.488076	4191.706041	4139.632339
PC 35:2; [M+Na]+@6.64	947091.5003	932319.2241	867784.1812	956130.9258	826962.5721	824865.9086	897257.6508	864522.0072	999009.2327	846043.8302	962269.1531	905242.0363	911502.9436	744771.774	796586.0609	1008831.11
PC 35:4; [M+Na]+@5.99	48728.07207	31781.88222	33336.88383	35647.56033	30102.34554	43975.67655	34864.43784	37490.61215	39098.66917	37548.81019	32821.48694	46886.74682	13323.46304	24268.99639	24111.66113	45184.98083
PC 38:4; [M+H]+@8.85	17295.72107	20579.7086	32056.79955	23633.91433	12979.84918	19138.22791	51967.27707	14390.83122	40193.69465	24992.62601	43929.73011	40491.07163	62301.89008	56951.08218	55464.11431	38580.58011
PC 38:7; [M+Na]+@5.66	15702.15907	8347.297899	9308.355332	16679.09666	16409.61009	10119.82719	13366.88093	9955.018245	11457.47182	13257.63244	20042.69408	16983.12119	16096.12632	16191.78297	9854.11185	14140.66487
PC 40:5; [M+H]+@7.60	47101.40192	48608.17971	45471.29489	48815.13414	39189.67327	34650.90354	44160.80303	39591.80433	47835.23486	36631.33045	49359.95789	53077.03767	48741.58228	37190.77524	50294.45097	52665.41709
PC 40:8; [M+H]+@6.45	17768.6376	14810.30885	19233.38027	15391.02949	21969.65266	21434.46168	15880.41293	22390.39796	32805.17747	18201.34981	29434.31611	19958.49402	25364.05027	28614.15857	21780.9307	23051.84974
PC 40:9; [M+Na]+@5.49	3909.016134	6147.970885	10763.92148	7154.321486	7814.885959	9186.190894	7501.172891	7455.673662	6089.360089	4058.200444	7176.640951	3604.835854	5854.483463	7279.992857	6101.206198	7057.544754
PC 42:10; [M+Na]+@5.78	21004.69821	18314.97617	19732.89491	24966.4713	24079.84862	17857.39274	16676.88657	18065.56893	24727.95164	15329.74217	17428.71489	15116.80999	31833.16567	29822.55483	23836.81162	26340.54548
PC 42:11; [M+Na]+@5.36	5720.228042	5121.61043	4455.155748	7828.014521	10366.08015	8621.512575	6763.809997	8151.528185	10439.61496	6924.650353	17630.00846	15040.76402	6468.739137	13456.8736	9501.515176	13351.514
PC 42:4; [M+Na]+@7.85	7328.403879	7164.972956	3747.645456	8533.43543	2591.324792	5204.802234	2315.868774	3475.721081	4124.046006	1940.110544	3855.124388	2445.826413	3563.688684	4602.105854	5692.02791	4241.000291
PC 42:9; [M+H]+@6.86	39402.3007	31519.46112	39589.67928	42057.59348	39877.69227	29818.43175	30957.23212	19842.86995	40887.67229	19254.73199	52477.93795	37980.60154	39831.1151	47502.43054	29096.50307	57185.04354
PC 48:6; [M+Na]+@8.48	14210.19978	17598.09099	14741.59832	11826.02378	14446.8106	19987.63852	15929.7775	14413.83326	13389.60321	12496.145	10752.60241	12142.89544	13667.11828	13801.96715	14610.82874	14656.11987
PC 50:6; [M+Na]+@8.95	23572.53045	24823.65598	21862.14477	31464.6752	31372.08178	27083.21389	25733.98674	25391.90419	26681.24449	20545.67967	25149.36892	32896.86132	24618.80364	22603.51007	30010.5793	26800.72576
PE 21:4; [M+H]+@1.42	10186.28739	5748.789535	9594.391608	6942.262979	6300.270603	6165.274176	7050.619512	7698.855855	7570.698303	5603.342094	10401.80804	6437.621639	8372.30583	7241.868731	6826.471681	11563.56918
PE 32:1; [M+H]+@6.26	23219.97513	14974.02062	17663.56798	17383.69974	23115.29689	15108.95021	20656.30436	17006.20246	20542.53779	19909.60778	23988.6183	15156.0481	20385.38363	19418.45691	20964.26302	18686.2747
PE 34:1; [M+H]+@6.86	228265.365	215350.3122	201671.8285	247118.4635	176951.8414	200050.7519	201864.9519	194511.3712	274401.8254	215728.0255	261283.4714	201602.748	283448.2138	197651.3321	190916.0884	259685.8715
PE 34:2; [M+H]+@6.43	176429.7549	148127.7383	122232.8356	164583.3848	126539.0964	122938.5215	138158.2665	122833.8492	183478.9177	124406.5225	133520.0224	112967.4863	178358.2234	121885.2849	102174.1685	175797.3425
PE 34:3; [M+H]+@5.91	13326.96295	8022.783316	10839.39544	15584.42554	12675.86538	10372.76723	8122.388327	11009.17022	20392.55194	15176.31675	23287.10726	8065.685192	18863.42898	13149.00771	13184.65554	20014.56953
PE 36:2; [M+H]+@7.00	115020.7973	123765.0688	91883.01134	114997.4149	125759.0709	108992.5856	111446.1526	112685.6568	141124.1996	109390.4814	152436.644	121668.056	147544.3217	108311.1889	105133.5296	147433.7087
PE 36:4; [M+H]+@6.34	904640.386	776794.5143	643582.1411	840547.2823	707518.1037	808613.9138	686173.2144	742340.0921	859407.9902	613261.9364	701553.4414	721853.4281	959665.34	651396.1119	723240.09	990593.6278
PE 36:5; [M+H]+@5.92	161133.3595	92213.82869	121262.5688	169028.5838	144605.8622	103999.5065	137866.0326	142764.8375	188591.458	151854.6289	199377.7877	124233.3431	132257.7329	125727.8476	121960.1692	167078.0813
PE 36:6; [M+H]+@5.62	39866.12133	34773.20518	23656.31038	42109.39114	35980.16191	33867.17338	24941.32118	30792.77953	35053.63294	30771.44995	25738.64481	33665.24215	34204.94023	21004.09714	17404.88867	31669.66041
PE 37:6; [M+H]+@5.99	15953.50787	8785.485283	13346.36272	14113.70659	18285.29799	13213.16048	8713.648659	17067.79182	14485.25601	8511.329859	24519.58693	15371.06736	16418.66464	11107.61944	6483.182784	17737.63261
PE 38:2; [M+H]+@7.58	39872.47579	24675.99438	26958.785	28186.67938	33239.30875	32143.8372	28247.97661	34507.67673	42580.38949	34731.23809	30232.77102	36849.19109	39620.18106	24095.89847	24103.20964	26152.78102
PE 38:4; [M+H]+@7.01	3841084.596	3636037.01	3122266.717	3650139.691	2954341.009	3625113.183	3256675.041	3214464.43	3834274.45	2795169.631	3249787.979	3299716.576	4641342.991	2958147.521	2802366.247	4202879.825
PE 38:5; [M+H]+@6.54	1070775.469	993438.3324	1018009.993	1061924.051	932004.506	853043.3829	902638.2288	1010190.59	1207409.995	785219.1806	974817.9208	1030193.778	1176407.212	990446.9445	991762.6728	1240915.575
PE 38:6; [M+H]+@6.17	6705930.978	8166358.215	6482815.929	7871645.001	7275620.168	7503122.246	5621814.089	6776479.675	7787865.467	5980554.306	6605149.115	7932163.502	6619689.46	6130299.724	5876508.454	6920743.969
PE 38:7; [M+H]+@5.98	132808.7165	99279.79081	85504.21735	105353.2563	121715.238	111424.0011	95947.76541	111677.7303	115661.7875	90872.43212	89535.77397	84909.43325	79125.52953	69224.35085	77289.09637	97813.92212
PE 39:6; [M+H]+@6.61	47918.97954	36936.73279	30354.0573	51921.75799	57924.99369	29366.47526	31628.41296	47241.03838	50360.5694	47129.95423	78084.03169	78447.03736	49082.73946	49295.06273	41150.63706	65000.57788
PE 40:4; [M+H]+@7.42	432901.6601	325390.9	279436.3688	325324.6807	255697.5081	323972.209	311497.7196	266522.2559	312521.9654	283881.806	248801.1808	302635.9954	365314.7476	295938.8074	323656.1445	379716.9022
PE 40:5; [M+H]+@7.11	802724.0681	755219.4479	750549.7065	831918.0548	673965.4131	659916.6722	776188.3565	725248.3342	890708.6865	699577.1431	800447.7818	760224.1215	754632.7724	614080.5458	680423.8365	851019.694
PE 40:6; [M+H]+@6.88	9281043.98	9899728.097	8138393.614	9428699.942	8955792.052	9460099.674	7862010.317	8580447.105	10274013.09	7248826.747	10034349.48	9478305.967	8745563.449	8628808.43	8144855.905	10084812.93
PE 40:7; [M+H]+@6.37	1256154.261	1694935.452	1421827.96	1571404.814	1592893.623	1747385.333	1171082.825	1338416.582	1465459.692	1154225.479	1427351.672	1724233.753	1023911.871	1037021.256	1203667.865	1305161.396
PE 40:8; [M+H]+@5.97	163253.9979	303388.1687	248375.9476	257593.9015	388891.0525	397843.5554	294746.4964	410684.6397	361438.4021	193753.7857	339499.8385	367047.6175	232719.4851	307935.5973	324132.9071	380908.1762
PE 42:11; [M+Na]+@5.44	9940.760336	8777.604917	5953.372159	7670.946647	10277.31842	9710.067769	7493.446918	11353.11268	8833.531224	7444.860018	12636.83644	12613.39286	9031.158214	17964.55382	10158.28067	13813.84999
PE 42:5; [M+H]+@7.65	15627.45179	11748.85775	15980.762	15318.57057	15950.11627	21375.92257	20035.37593	18502.12442	16121.59083	19585.39029	12773.53084	29486.27306	28789.62431	12114.60144	24583.57735	30538.19084
PE 42:7; [M+H]+@7.01	30469.00612	45866.53228	48001.80683	39256.99605	35653.65542	29551.63246	30194.44608	36348.20616	46443.1762	31236.57135	43176.49449	45422.70897	27693.77489	34297.96146	40775.12804	42489.30959
PE 42:8; [M+H]+@6.52	87289.17438	115176.3738	119502.6905	109325.8302	121016.5187	128991.7876	78712.71438	103256.1447	106133.0621	86258.82215	116425.3448	122591.2425	80170.77157	81759.98087	91567.94948	93935.16919
PE 46:10; [M+H]+@6.88	592.1182772	10162.16682	7281.266766	7232.89612	5193.450776	6653.057353	3142.894272	6062.96577	5208.35149	3062.212729	3892.716252	7906.026255	5864.973094	6553.047127	4317.779985	4799.100473
SM 30:1; [M]+@4.41	15577.92214	8233.404905	5400.205007	5881.174282	3845.908837	2430.805094	1956.420541	4769.350732	3557.476725	4508.77572	2452.638091	4624.914225	4458.786393	4479.109926	8108.286687	3698.839578
SM 32:2; [M+Na]+@4.55	1126780.578	1136830.797	1089241.387	1185025.002	1056695.627	812113.3594	743090.38	1076838.023	1164835.549	654188.2171	542095.8105	1090732.058	584549.3791	553634.3783	580985.4598	863238.9798
SM 33:1; [M+Na]+@5.55	14290.34159	10108.69328	7405.597121	9987.894188	10636.06633	10815.9393	12851.80916	19976.40253	13119.39116	12230.08716	17923.73814	10633.7774	23581.0837	28863.15565	13404.70864	24494.74011
SM 34:0; [M+Na]+@6.16	1943.431053	3482.842545	2421.23015	3042.771436	1166.90413	936.6757244	614.3226797	2143.459506	2346.543642	881.2417811	917.2915452	1588.277651	2670.019587	1256.406184	2435.704305	2667.845743
SM 34:1; [M]+@5.83	13610420.19	14091910.37	10920915.71	15016264.26	14461845.77	18845493.32	16949214.64	19402554.31	19706825.21	11844277.9	15821263	15768654.72	19142731.52	20593436.39	13753187.07	22853564.86
SM 34:2; [M+Na]+@5.33	377035.2054	543111.441	374954.7373	340314.1215	399992.8107	408582.2353	330050.9766	415193.3821	399651.7745	322808.4752	290677.8524	394339.2818	226018.7218	240378.4624	227642.3022	296529.5102
SM 35:1; [M]+@6.22	4927862.112	4211201.046	3853263.706	4536591.793	3678549.175	3787945.557	3564416.68	3665008.119	4523771.178	3608692.192	4234710.599	3902289.204	5450971.907	4517609.569	3918081.443	5430490.926
SM 36:1; [M]+@6.71	3142732.429	3127921.352	3068879.435	2650308.301	2249280.428	2387865.223	2617704.393	2668626.535	3487553.472	2221296.085	3127244.463	2826376.739	3318713.528	3390835.376	2729109.56	3248941.33
SM 36:2; [M]+@6.01	1632322.82	1134489.276	1104335.542	1300920.924	1163388.819	1056880.542	1278576.497	947571.1391	1109648.827	966528.7675	870911.7789	767177.6215	1055661.199	848391.9751	752717.8066	943278.4688
SM 37:1; [M]+@6.90	57962.79912	36231.84542	17841.34287	25979.28987	39728.86977	31034.63016	31482.50699	28110.25978	18321.95962	33425.59609	34193.47847	34088.75405	46265.7248	30721.39674	26238.50018	54117.64433
SM 37:2; [M]+@6.45	17973.18765	7797.074911	8547.829116	22558.99811	10687.21887	7465.147665	13255.24147	9536.619656	8124.581151	10752.34413	12859.22396	5745.069922	4856.066741	12518.21266	7500.473401	7542.743596
SM 39:1; [M]+@7.54	15796.47185	11452.26044	11819.51596	13540.99679	9512.303266	6399.539028	9743.959389	11958.04258	9927.853367	10804.16178	6714.124519	8173.675881	12553.79459	7841.102073	7790.558402	9007.402884
SM 40:1; [M+Na]+@7.78	46365.00453	46488.38464	47977.38535	59358.59214	53103.09878	43087.94284	48827.09163	49898.64574	56054.58778	43525.41508	57559.18194	41644.16618	54272.86609	48958.64176	46764.70323	51518.4806
SM 41:1; [M]+@8.11	14585.56987	9055.055672	6836.883352	14778.72843	13308.23979	7947.565013	8567.508989	13441.10158	8301.09631	8493.756155	9664.18258	8860.172152	11887.12574	7245.975179	7354.914691	13569.98547
SM 41:2; [M]+@7.71	5495.10812	6412.975432	6696.230131	11337.49273	8057.297414	4102.893708	9190.625851	6431.052992	6559.898792	9618.570638	7184.633558	7224.474242	3254.461972	4303.4439	3852.364322	8206.821437
SM 42:1; [M+Na]+@8.32	49339.33107	65577.27554	58851.33023	54040.74803	41451.27657	49492.30976	42131.86719	53840.49495	57443.98912	35903.16383	38422.86354	36571.09023	66803.28417	46235.74031	35623.47638	50474.63123
SM 42:2; [M+Na]+@7.82	88858.69289	67533.43799	65197.92185	76731.50821	66736.64924	62111.91962	70476.35492	63594.5475	67601.15756	51428.71845	60359.81131	52441.62592	56708.19647	64967.24296	49668.69056	60557.67926
SM 44:2; [M]+@8.36	6154.594669	3737.187183	3888.768881	5898.33045	3453.204527	2954.219816	4446.147507	5506.299133	4933.607547	4258.461644	2817.356194	2917.028465	3145.283242	3626.907461	3045.550422	4659.951946
TG 42:0; [M+NH4]+@9.78	4533.312931	3263.265956	1937.165164	2756.798496	1855.47224	2516.527976	968.8906685	1306.638525	1091.924362	1460.726317	1488.991192	1883.659629	1837.470794	1687.650397	1471.797762	1703.559838
TG 44:1; [M+NH4]+@9.80	2040.25885	797.1687646	1340.847825	642.4138673	1083.81816	3686.793168	1783.55268	817.7070713	801.1835588	944.620422	1787.698589	2271.373442	3088.694757	1755.610984	1816.1333	2416.668703
TG 44:2; [M+NH4]+@9.55	938.399445	193.8512625	188.933512	81.14171867	841.8031421	932.3456011	330.6414834	235.1085936	214.5489681	475.7143045	516.9371779	761.4138737	738.3817033	881.1738591	481.379377	588.5478957
TG 46:0; [M+NH4]+@10.34	7665.427403	6144.776161	5449.85828	6726.956892	8733.539569	6530.63141	4137.300958	5863.59989	4767.852792	4023.484326	7044.250379	5415.33872	9852.238877	8178.942213	6521.029396	6884.274629
TG 46:1; [M+NH4]+@10.09	5140.696631	3687.019573	5627.884789	4277.533505	3312.454573	2738.73477	1228.771105	3459.573024	2787.612376	1730.569713	1956.49386	3570.390116	8099.803925	6586.630648	3118.260774	3507.739842
TG 46:2; [M+NH4]+@9.81	1338.832335	1661.958493	2729.913931	1331.084107	1824.857823	2954.704459	1651.494295	1052.132244	1405.858529	1164.484696	1519.687012	1900.84945	3167.994995	2344.909941	2114.912679	1187.999045
TG 48:1; [M+NH4]+@10.35	13509.28834	10121.68318	14229.30081	14094.47225	13471.57581	17144.56447	10987.80034	15564.69522	16563.34547	9914.87277	15651.5233	14546.40603	24915.08721	23777.84117	14425.95003	17816.88384
TG 48:2; [M+NH4]+@10.16	3638.098608	3566.142231	7557.903293	2361.722167	3630.15045	3872.729466	3364.503051	1588.712996	3454.461026	3674.419128	2896.56648	4360.568342	9179.366167	4022.366238	3234.723578	3666.267606
TG 48:3; [M+NH4]+@9.89	1858.325413	4027.377328	5460.468809	1756.252444	1000.426225	1247.753212	480.2632364	1651.304234	2230.228198	720.3845154	1068.105588	2032.18765	888.3768608	2229.528646	1480.103076	1740.567539
TG 49:1; [M+NH4]+@10.49	1068.738714	285.4086158	222.8956539	732.3761721	2407.061956	1642.001015	521.3879239	985.5807471	2175.549308	999.9949661	4202.868128	2219.712949	3862.21544	1842.210612	1898.962912	2415.17119
TG 49:2; [M+NH4]+@10.28	1206.602159	672.4606455	2081.685203	1667.50085	869.0701164	1305.084276	564.896795	868.3186023	1320.146934	1195.217088	485.671153	762.2131918	4467.27503	2062.79721	885.4911471	1079.799187
TG 50:0; [M+NH4]+@10.79	18823.83209	16541.14451	19220.45574	26581.08494	16377.90424	12514.63705	16163.68486	19876.88588	25480.1338	13034.98392	19845.72008	18299.03847	31176.9607	20205.8455	17227.54255	32096.44258
TG 50:1; [M+NH4]+@10.58	40970.75118	33148.45518	31571.19569	48752.29211	44747.181	50346.55073	37341.99672	48940.01345	65056.99276	39591.24956	49152.2693	47915.84158	75420.04242	62652.68556	38862.65813	71833.34141
TG 50:2; [M+NH4]+@10.39	16937.90326	15995.43306	27044.77999	13542.91215	14554.66017	13533.3042	11708.5803	15919.01259	17064.73598	10855.39471	17913.28565	13088.47894	30483.49707	24615.39036	9898.813254	13270.55536
TG 50:3; [M+NH4]+@10.20	2977.455572	5188.288303	14347.59152	3799.606077	4446.825754	4799.388356	3920.942156	3589.355466	4135.665447	5019.993265	7595.688143	6461.826316	13227.55619	3910.151673	3227.732774	5335.963221
TG 50:4; [M+NH4]+@9.96	1653.674258	2260.254883	3635.358509	635.7192467	1547.145085	2397.633535	1521.418921	1170.289901	2555.65504	1137.721626	2155.663132	2201.989172	4295.037481	2054.575069	301.8445667	2198.217926
TG 50:5; [M+NH4]+@9.76	1245.962944	1836.866947	1578.470665	266.5492467	1220.396615	581.7428706	868.6768469	937.6592806	1166.252784	1053.530963	1127.450196	1028.387508	394.0160532	704.8260824	925.129337	1027.642879
TG 51:1; [M+NH4]+@10.71	1808.013702	1962.42059	1147.505694	1129.835135	1185.871396	2022.229977	1344.759476	930.2093243	2320.736561	1007.054012	2994.213423	985.8746882	1570.09986	3334.531857	1330.408004	1745.91991
TG 52:0; [M+NH4]+@11.02	4417.023254	9322.68674	4495.597745	4987.655871	10437.98484	7324.359829	10009.29911	13517.6387	21470.25131	3243.90751	13557.97834	7171.655484	25658.02844	12848.71034	6995.013064	10186.74405
TG 52:1; [M+NH4]+@10.80	31650.79401	37480.92813	23730.96363	34359.50446	27142.06622	29580.39915	23926.46082	26474.35654	38696.34242	26879.36008	37769.23031	33186.87862	45776.18298	39927.93589	25664.08844	43593.69035
TG 52:2; [M+NH4]+@10.61	41232.64553	35769.73172	28942.75764	37024.5865	27310.60675	41158.27299	28074.51565	27030.82549	34106.6521	23226.62776	25817.44346	24132.33327	40591.35931	28254.46356	20343.70702	31047.42367
TG 52:3; [M+NH4]+@10.45	28020.14374	17326.07962	24242.82519	19053.03069	14264.31116	14178.36385	21932.59088	20927.0971	11805.09453	19253.48233	19653.58901	15135.96798	20273.19618	21222.9773	9979.615503	18427.73402
TG 52:4; [M+NH4]+@10.23	11399.55444	12917.94678	18905.79891	12544.02614	10450.0268	10999.48387	10740.75116	15341.13228	12254.14327	8087.31698	20558.39912	12756.63744	18743.25423	14957.36965	9855.828001	13305.66455
TG 52:5; [M+NH4]+@10.06	4899.263161	5363.630751	6651.704346	3724.609799	7231.411362	5528.256622	4888.32985	7666.487885	4556.164101	2885.048973	7357.074912	5383.551537	7287.69607	3180.45652	5203.596027	7928.042367
TG 52:6; [M+NH4]+@9.81	7198.36749	8629.829301	4909.816439	6570.101387	5255.958402	6280.342516	5474.21597	5264.084484	4972.516436	4527.374628	4591.230443	5478.49108	7256.05516	5328.83648	4097.29745	6278.558674
TG 53:0; [M+NH4]+@11.16	5303.966436	8758.621647	9461.125594	7589.820691	7589.862528	6793.343802	5877.152184	5607.66775	12818.09607	3315.252667	9445.039928	9201.790603	18023.62128	6621.136331	10338.67416	12401.34258
TG 53:1; [M+NH4]+@10.94	363.642733	352.1212529	157.5441366	349.9986239	736.0387128	1879.31307	600.365839	632.3797689	1228.826823	776.730656	226.5696275	1370.90673	1297.917645	1348.359936	806.7085389	834.8922646
TG 54:1; [M+NH4]+@11.06	4376.73587	3838.330293	3108.133398	4084.507916	5386.223768	9770.016801	4813.362977	5294.094368	8483.437151	6600.744725	6241.546002	5675.969321	6848.314174	11446.63952	4275.299904	12693.54963
TG 54:2; [M+NH4]+@10.87	13780.52339	12911.60372	7198.65485	9948.498572	7108.237619	8399.344151	9205.874477	6898.846927	8072.663327	8031.827571	7021.072841	7435.866006	10468.76348	10904.12033	4552.932513	10776.71337
TG 54:3; [M+NH4]+@10.67	32666.58843	20423.89879	18182.48656	15040.87996	10853.59757	13563.28806	15055.9251	13892.00075	12081.2306	14036.00666	10778.34609	14509.03687	18669.81061	21364.52199	11135.57361	17502.4356
TG 54:4; [M+NH4]+@10.48	24377.51876	20406.75586	18578.85075	23473.56819	15261.31416	22624.17156	17757.88316	19078.6517	17625.88004	14991.86082	20960.42469	14549.14419	27454.22989	17980.75167	15693.90185	20933.16115
TG 54:5; [M+NH4]+@10.32	26798.01637	28135.73878	29127.9178	30668.39042	23348.46161	27124.10294	20611.87195	21490.78861	27465.42559	19143.67354	31281.752	20414.95767	37013.21379	20595.71327	20356.13016	29219.66996
TG 54:6; [M+NH4]+@10.15	71777.73411	84442.06128	49315.99016	78115.08804	84945.11046	104475.4094	70838.87217	91339.29063	96704.77647	59545.2176	87413.66238	60660.81646	117125.0738	92431.64934	70490.66949	103511.2412
TG 54:7; [M+NH4]+@10.03	8008.328084	7481.196743	6726.813448	10976.08734	7651.299959	7064.705888	6383.434471	7855.24939	7834.524938	8534.999776	9930.951303	7964.788862	5175.564667	6645.848819	5818.071609	8303.347658
TG 54:8; [M+NH4]+@9.71	1348.11254	1290.665304	1705.184402	1683.503327	1603.051587	1110.578195	1189.219562	2528.032333	1603.378484	1790.27559	1888.530135	1368.787776	640.0223985	2286.55929	571.4685204	2518.092409
TG 56:0; [M+NH4]+@11.50	489.2564193	326.3348793	241.3781196	187.1066406	596.5366084	31.15853444	52.74876847	279.0065129	4.412284901	341.5186796	345.2534632	230.136486	253.5625174	282.3425217	455.6638348	513.1200044
TG 56:4; [M+NH4]+@10.77	10815.47503	11055.01467	10322.93858	9991.273493	11800.48357	9636.258811	9972.783712	8129.544899	9535.271652	8815.339322	6927.958919	7600.337026	11722.76661	7072.852886	8015.27191	11084.45725
TG 56:5; [M+NH4]+@10.61	16915.95096	13118.72108	14197.20159	14818.82769	11393.96588	14980.12892	10575.05634	13815.75376	12584.64964	16603.81539	16427.57645	20380.75774	21477.6091	12694.58563	12800.56837	30185.10964
TG 56:6; [M+NH4]+@10.48	44685.37291	34029.80067	35275.17475	47650.63544	38305.52422	46320.03505	27650.26526	40025.91633	41805.65864	41144.87112	41503.06059	51614.50123	73442.95281	31487.57052	33236.6668	71740.52483
TG 56:7; [M+NH4]+@10.27	37692.33195	44562.87295	35070.90851	50304.09474	36891.79948	43568.84745	30214.67033	30074.05548	40371.91112	29042.02294	31957.10405	26576.73809	50642.2483	27804.38999	29693.33569	35727.13711
TG 56:8; [M+NH4]+@10.10	5436.159567	10215.93037	7395.098108	7967.030841	7305.931686	6649.034983	7795.773837	7897.630743	8803.357598	4864.464531	6497.470052	6610.449883	11767.33579	8110.818514	4824.760077	9234.321131
TG 56:9; [M+NH4]+@9.87	806.768831	2669.089422	1854.696426	2548.523499	1626.832013	1584.125111	1415.539573	1514.09748	1565.525464	869.8363171	1059.013049	1537.51422	1518.164709	1408.521308	1139.356303	1819.493799
TG 58:1; [M+NH4]+@11.55	224.4322758	656.2570014	94.4701093	57.48435127	85.95828668	284.2770921	24.39319701	85.01789059	1553.617875	259.9583853	262.5149277	320.4312548	322.7749104	77.48360958	225.7702695	288.3322353
TG 58:10; [M+NH4]+@10.05	13129.97702	13315.14312	10101.83128	8591.491705	11430.09469	15576.9535	7670.069556	8475.845367	8076.03279	6211.079328	5415.71112	9392.198122	7547.419944	8034.529525	7080.890179	9461.995492
TG 58:11; [M+NH4]+@9.81	2381.680799	2492.626549	2512.73566	3520.547136	1280.702431	1892.485962	1747.507983	2062.231534	2457.910549	2383.891677	1765.89172	2562.681515	1280.095961	490.8876075	2004.763623	1910.566878
TG 58:5; [M+NH4]+@10.80	5173.110979	3681.176547	5210.980537	4659.610014	2456.244591	2212.298136	932.7890973	2363.85825	3060.933233	1475.991603	1771.173045	3150.823363	5780.018419	2858.647408	1940.702665	2653.747552
TG 58:6; [M+NH4]+@10.72	6287.03656	12017.12951	7561.374547	9935.419082	6338.024568	7252.303411	4845.942633	6425.616172	12173.16513	6742.717865	6932.363501	6815.337928	10054.4704	5609.304789	7314.868161	8341.29592
TG 58:7; [M+NH4]+@10.53	15456.15711	10748.01539	14787.39276	18454.18024	8005.629877	12483.18066	7562.867431	9834.907573	8984.708755	9297.666938	8465.41541	11768.05922	12361.59081	11704.23832	8702.39841	14652.52921
TG 58:8; [M+NH4]+@10.37	7747.245507	8717.614683	8926.232167	8133.648357	7429.622274	7903.792113	6714.251841	5437.451758	6846.116921	5135.39059	7905.66634	6455.875142	11890.95425	6404.546701	6363.543301	9084.777568
TG 58:9; [M+NH4]+@10.17	6336.132395	8547.140827	5582.232385	6823.889487	8740.916872	10422.36194	6701.695229	7539.532278	9473.3613	6888.917824	7874.14636	8308.085887	8245.754165	11245.27084	6116.190724	14714.18346
TG 60:10; [M+NH4]+@10.33	10563.40867	13981.51994	11089.36313	12188.52486	10727.99338	10739.58609	8483.350493	8031.579966	9923.836562	6243.672148	8930.370234	8914.692091	11699.42178	7615.055843	7762.592888	13053.27414
TG 60:12; [M+NH4]+@9.97	35653.65877	61693.67516	41172.11207	45410.64043	44181.44351	44652.439	27618.581	33825.88039	33288.09317	23957.63277	30957.54851	38682.11594	36760.97837	33903.3712	30205.95115	38935.53524
TG 60:13; [M+NH4]+@9.76	2251.398388	3071.330083	4182.237502	3529.55728	1530.664286	2346.972873	806.9624172	2059.061728	2466.910791	1059.377048	632.5727506	1882.943676	1003.279941	1240.820757	1437.709829	1776.65671
TG 62:11; [M+NH4]+@10.32	5068.999489	5574.086755	3219.179831	3635.582451	4159.710506	5234.579604	3941.551064	3479.913161	4850.628718	3402.645968	3621.254842	4391.348315	3859.200965	3368.819835	4220.012172	5500.012038
TG 62:12; [M+NH4]+@10.24	21609.4932	17601.96887	13068.00403	16116.58611	14128.75632	15544.24799	12129.72474	9817.085441	10014.45151	12552.04714	11547.0541	13570.02297	10026.25989	14797.49592	10443.95537	16647.68506
TG 62:14; [M+NH4]+@9.82	1446.259304	1987.609356	1146.098933	1856.128781	1991.96373	1505.028844	1354.27255	1566.290429	1615.542617	300.4533081	1436.264531	1044.606037	1739.443831	785.2291532	735.7498418	1262.842872
TG 64:15; [M+NH4]+@9.86	1107.872924	2245.556666	1597.507735	1844.234875	2104.966026	1940.103173	758.0101134	1385.627511	1209.473646	1640.003924	1479.368326	1633.161403	1278.125206	817.1238233	1350.625819	1149.339529
TG 64:16; [M+NH4]+@9.76	950.244624	687.451652	1198.981981	1498.132238	1205.359658	855.3119179	683.8702554	761.1880043	1070.801573	363.2113774	1094.496107	2253.120486	1113.05791	374.5171876	1048.112504	1128.604126
TG 66:18; [M+NH4]+@9.68	11168.0626	12219.47874	11820.8673	14622.14068	15552.06951	11897.94392	8342.540505	7591.455203	7822.935097	9121.045309	8943.577597	9388.684388	4018.029621	4363.397062	8786.426548	9569.486074
lysoPC 14:0; [M+H]+@1.14	2928.023872	2514.181932	1140.535069	4202.487619	3235.20663	3598.919941	3122.325387	3434.155178	4845.087	2797.479559	3312.040569	4512.418839	4635.5003	2349.219673	4251.334557	4681.302173
lysoPC 15:0; [M+H]+@1.40	3433.342418	1765.770718	871.6073327	2975.902019	3243.064415	2627.975139	2017.416557	4132.781434	4068.257728	3032.439524	4882.841993	2497.92484	3451.121804	3343.347208	2187.02209	3723.452384
lysoPC 16:0; [M+H]+@1.59	493501.8671	531991.9651	416092.3276	695040.7252	452823.6902	492168.691	429262.5245	627291.2901	757212.2936	622261.598	751134.318	767305.6489	1095379.034	995083.5799	796329.1537	1224112.845
lysoPC 16:1; [M+H]+@1.39	4868.159625	4391.548553	4505.383967	7011.194505	5928.363234	8711.577953	6830.982669	9969.162889	8125.48126	7964.376675	10174.9568	10899.61809	8284.3197	11339.91704	9711.836095	26734.78814
lysoPC 18:0; [M+Na]+@2.27	167772.8476	132338.825	96812.80996	184358.417	151706.5704	158618.7907	130770.7199	171905.4194	175935.7662	180454.0746	125667.7858	198610.9676	335333.8563	218581.3007	200341.573	327544.2408
lysoPC 19:0; [M+H]+@2.94	34769.14416	25868.12097	28874.14628	37234.96133	25726.52961	28062.67304	28698.98139	23743.39284	30738.30848	24015.34342	30623.9416	28507.44487	40732.41973	31707.64373	28300.35127	30260.11188
lysoPC 19:0; [M+Na]+@2.92	8626.237807	5774.308813	4642.716363	7146.283311	4841.469667	11070.99868	5977.462448	11596.37436	7374.211823	5518.338062	3452.652443	6820.21817	8089.152935	7541.793848	5048.289613	13011.45685
lysoPC 20:1; [M+H]+@2.56	5249.991105	3260.799028	2422.235859	6375.829513	5135.956152	4369.419452	4526.836889	6462.149864	6356.284469	9402.977882	7441.875119	5309.440046	7594.824946	9534.781489	6949.656528	11650.61557
lysoPC 22:4; [M+H]+@1.91	1131.892949	1314.203239	1611.810434	1693.636153	1336.060756	1245.662652	1568.448868	1973.419913	1516.206782	2048.030453	2240.161333	3011.569435	3404.468697	2551.648973	2448.932952	5093.177326
lysoPC 22:5; [M+Na]+@1.57	1325.332941	2143.553696	1257.303572	3649.463582	2002.422194	1895.121627	3430.922584	3261.782015	2733.123238	4515.794144	4487.639369	3220.461965	4014.666481	3046.794471	2308.60355	8627.610075
lysoPE 16:0; [M+H]+@1.66	19419.33053	23556.97111	16763.47122	31122.63277	30000.62214	34631.11575	24265.04401	40524.28348	33808.58442	23882.081	33020.15833	33120.06216	43258.99007	44661.29962	34170.58702	64869.07464
lysoPE 18:0; [M+H]+@2.50	81334.30498	79558.13709	65129.75683	106843.2039	72968.64409	76021.3778	67611.60211	91464.88697	95809.89906	82748.07751	91044.31223	97199.27813	172352.396	121411.8645	89612.9754	145809.2295
lysoPE 18:1; [M+H]+@1.85	12340.49104	8227.79186	7673.405179	18031.06052	11253.29914	11898.89922	11338.13223	15370.38447	16990.23507	16875.13502	15648.87663	13044.43845	17579.4922	16128.44939	16453.85945	29784.87023
lysoPE 18:2; [M+H]+@1.37	1878.664393	2424.953214	1755.376243	2425.529511	2613.740668	2872.461681	2586.456508	3669.460117	5786.35036	1581.38165	3365.415956	3096.29121	2921.927256	3310.158385	2859.877448	5724.406542
lysoPE 20:4; [M+H]+@1.38	17414.31911	21136.09942	26476.29188	39014.51337	19339.83653	26055.61864	19428.92157	25262.11037	28751.90849	20509.80391	44042.60708	33275.35767	35192.00598	30683.52076	22048.16511	42204.91515
lysoPE 22:6; [M+H]+@1.32	78990.66326	101626.7081	89959.57743	159006.7108	146865.5378	177342.6075	156264.8717	243299.2237	213013.38	146660.4162	239567.5688	247283.6214	212560.568	229953.0295	216978.614	521070.3535
plasmenyl-PC 18:0; [M+Na]+@1.68	26549.4447	21155.71996	23006.3724	38183.3324	26000.04421	27400.97288	21225.40969	39851.53667	40331.66505	39550.21592	41624.05453	46326.01524	48696.11186	42058.99357	51178.73009	97273.20151
plasmenyl-PC 20:0; [M+Na]+@2.59	697.8460795	1134.730434	621.7778302	1780.619395	295.5581856	1538.411168	844.5005055	2412.547738	1398.318401	1628.863897	1436.366369	2954.193656	1954.581344	1575.009611	1356.197344	2197.587668
plasmenyl-PC 32:0; [M+Na]+@7.04	25895.44118	13243.94343	10956.8514	18296.98003	17402.32984	11644.86922	15382.91406	16891.51627	21718.84661	12490.19954	17260.5478	15620.34435	17787.68973	16724.88083	11579.92008	15812.74558
plasmenyl-PC 34:1; [M+Na]+@7.14	54487.776	52661.09265	43031.86123	56572.50647	44631.67986	26849.51321	51493.9005	45569.72367	50190.7064	41492.19844	50225.55465	44953.11557	31175.5802	52536.25849	39057.69321	63169.83409
plasmenyl-PC 34:2; [M+Na]+@6.72	24071.45406	37448.42312	17071.50369	24888.47852	22436.3903	11005.02883	7674.693631	18544.89672	18588.75052	11555.62267	8375.710015	17177.28833	25035.12696	12790.88549	14844.10111	22044.47357
plasmenyl-PC 36:3; [M+Na]+@6.77	124041.8831	111460.012	121284.1354	119633.3101	105603.549	104126.2525	104407.5819	124410.1652	134865.04	64433.13727	102477.9933	104234.4486	125502.3171	90292.74858	100290.6749	152245.7001
plasmenyl-PE 34:0; [M+H]+@7.66	101174.6643	116946.3054	107573.9521	98989.93582	84633.76885	95680.94219	92599.3409	95251.05308	113829.892	78339.251	113425.8547	105300.4868	144064.5138	123695.9939	86404.16555	123562.7556
plasmenyl-PE 36:0; [M+H]+@8.22	5006.854156	4415.662875	5922.770598	4952.042278	5367.348601	6417.624297	5450.462939	3817.769523	8764.791719	4752.794527	4993.757552	6660.915139	7446.439856	4779.692872	5971.187252	4478.06032
plasmenyl-PE 36:1; [M+H]+@7.75	101010.955	100394.7812	75245.01493	111225.7899	91964.23516	99972.16258	95802.60499	78999.13954	95226.65424	78010.03419	66637.718	74529.37549	114878.7423	89841.17019	68828.30121	104760.008
plasmenyl-PE 36:2; [M+H]+@7.34	51679.90661	51072.41306	48821.01332	58760.23064	44056.50634	35356.95723	42878.39384	40836.42261	62432.77418	42297.52698	66630.82076	44827.38448	74081.47712	67826.73307	46922.42352	49955.31819
plasmenyl-PE 36:4; [M+H]+@6.69	575283.6063	544989.5716	561650.2839	596429.6503	478373.8796	534670.4021	535597.9295	554881.4845	623144.5457	420769.1346	796783.9585	559259.6083	618277.2709	566137.6571	591061.3636	690712.773
plasmenyl-PE 36:5; [M+H]+@6.34	405328.1329	169969.3666	197410.6467	343000.322	265011.3232	176083.4037	319015.4662	297508.3797	343932.9073	303083.5508	298892.959	186304.734	266244.1247	223867.5542	188133.1507	229789.248
plasmenyl-PE 38:4; [M+H]+@7.27	1198654.2	1485365.176	1344806.945	1150656.131	1001537.209	1123766.25	1176584.266	1096956.968	1376273.493	928611.9657	1451683.156	1349922.546	1444865.078	1512301.677	1425266.549	1534395.83
plasmenyl-PE 38:5; [M+H]+@6.88	616379.193	537166.8244	550315.9274	619185.319	539440.2977	504048.6296	525925.7534	556061.3561	686753.7463	522262.4924	695359.082	576114.9895	656369.6134	561550.1586	529151.2533	698492.4234
plasmenyl-PE 38:6; [M+H]+@6.58	1405093.35	1247264.28	1160910.225	1282744.921	1163735.827	1172054.489	1117393.339	1268735.98	1427006.011	1052112.496	1443321.226	1235692.152	1389965.522	1288187.157	1232278.3	1532993.005
plasmenyl-PE 40:4; [M+H]+@7.68	384567.9109	431248.7224	397871.4006	375537.3599	358851.8693	624521.2003	422804.5292	495613.0611	518584.1033	281037.6537	503943.1785	419966.1165	666354.9114	613121.4619	487143.2369	637031.2276
plasmenyl-PE 40:5; [M+H]+@7.33	779639.8937	747163.3422	675308.2097	808588.6396	596981.3825	688296.6532	669946.7768	635502.1828	837397.1225	601960.6186	817554.1153	672360.0831	832955.8713	650791.3275	672604.0547	870415.7806
plasmenyl-PE 40:6; [M+H]+@7.21	2713982.806	2530372.412	2143810.803	2827700.647	2238775.419	2477485.711	2553730.956	2550092.805	2941531.886	2112562.842	2341222.061	2200599.737	2802002.779	2198882.534	2051390.29	2986135.286
plasmenyl-PE 42:4; [M+H]+@8.15	25114.72377	26645.62304	22518.45778	23812.79695	30968.02158	38840.91262	14836.44498	21331.59966	37330.35619	20188.05922	16633.23709	32322.96868	46952.71616	41083.74942	29442.18731	50454.01308
plasmenyl-PE 42:6; [M+H]+@7.78	111321.6974	93596.54486	62771.83601	110990.8881	105475.7145	95241.06012	93342.02947	77147.39885	102723.8203	88980.16792	87474.17912	69860.98469	111178.1491	91891.78235	74819.94551	94921.87882
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
DG 32:0; [M+NH4]+@7.88		7.88					DG(32:0)	LipidMaps Bulk ID
DG 34:0; [M+NH4]+@8.40		8.4					DG(34:0)	LipidMaps Bulk ID
DG 34:2; [M+NH4]+@7.61		7.61					DG(34:2)	LipidMaps Bulk ID
DG 35:1; [M+NH4]+@8.20		8.2					DG(35:1)	LipidMaps Bulk ID
DG 36:0; [M+NH4]+@8.88		8.88					DG(36:0)	LipidMaps Bulk ID
DG 36:1; [M+NH4]+@8.48		8.48					DG(36:1)	LipidMaps Bulk ID
DG 36:2; [M+NH4]+@8.10		8.1					DG(36:2)	LipidMaps Bulk ID
DG 36:3; [M+NH4]+@7.76		7.76					DG(36:3)	LipidMaps Bulk ID
DG 36:4; [M+NH4]+@7.53		7.53					DG(36:4)	LipidMaps Bulk ID
DG 38:3; [M+NH4]+@8.31		8.31					DG(38:3)	LipidMaps Bulk ID
DG 38:4; [M+NH4]+@8.05		8.05					DG(38:4)	LipidMaps Bulk ID
DG 38:5; [M+NH4]+@7.66		7.66					DG(38:5)	LipidMaps Bulk ID
DG 38:6; [M+NH4]+@7.44		7.44					DG(38:6)	LipidMaps Bulk ID
DG 40:4; [M+NH4]+@8.43		8.43					DG(40:4)	LipidMaps Bulk ID
DG 40:6; [M+NH4]+@7.97		7.97					DG(40:6)	LipidMaps Bulk ID
DG 42:10; [M+NH4]+@7.06		7.06					DG(42:10)	LipidMaps Bulk ID
DG 44:12; [M+NH4]+@6.99		6.99		9543971			LMGL02010306	LipidMaps
MG 17:0; [M+Li]+@3.15		3.15		107036			LMGL01010002	LipidMaps
PC 30:1; [M+Na]+@5.49		5.49					PC(30:1)	LipidMaps Bulk ID
PC 32:0; [M+H]+@6.59		6.59					PC(32:0)	LipidMaps Bulk ID
PC 32:3; [M+H]+@6.05		6.05					PC(32:3)	LipidMaps Bulk ID
PC 34:4; [M+Na]+@5.63		5.63					PC(34:4)	LipidMaps Bulk ID
PC 35:2; [M+Na]+@6.64		6.64					PC(35:2)	LipidMaps Bulk ID
PC 35:4; [M+Na]+@5.99		5.99					PC(35:4)	LipidMaps Bulk ID
PC 38:4; [M+H]+@8.85		8.85					PC(38:4)	LipidMaps Bulk ID
PC 38:7; [M+Na]+@5.66		5.66					PC(38:7)	LipidMaps Bulk ID
PC 40:5; [M+H]+@7.60		7.6					PC(40:5)	LipidMaps Bulk ID
PC 40:8; [M+H]+@6.45		6.45					PC(40:8)	LipidMaps Bulk ID
PC 40:9; [M+Na]+@5.49		5.49					PC(40:9)	LipidMaps Bulk ID
PC 42:10; [M+Na]+@5.78		5.78					PC(42:10)	LipidMaps Bulk ID
PC 42:11; [M+Na]+@5.36		5.36					PC(42:11)	LipidMaps Bulk ID
PC 42:4; [M+Na]+@7.85		7.85					PC(42:4)	LipidMaps Bulk ID
PC 42:9; [M+H]+@6.86		6.86					PC(42:9)	LipidMaps Bulk ID
PC 48:6; [M+Na]+@8.48		8.48					PC 48:6	LipidBLAST
PC 50:6; [M+Na]+@8.95		8.95					PC 50:6	LipidBLAST
PE 21:4; [M+H]+@1.42		1.42					PE 21:4	LipidBLAST
PE 32:1; [M+H]+@6.26		6.26					PE(32:1)	LipidMaps Bulk ID
PE 34:1; [M+H]+@6.86		6.86					PE(34:1)	LipidMaps Bulk ID
PE 34:2; [M+H]+@6.43		6.43					PE(34:2)	LipidMaps Bulk ID
PE 34:3; [M+H]+@5.91		5.91					PE(34:3)	LipidMaps Bulk ID
PE 36:2; [M+H]+@7.00		7					PE(36:2)	LipidMaps Bulk ID
PE 36:4; [M+H]+@6.34		6.34					PE(36:4)	LipidMaps Bulk ID
PE 36:5; [M+H]+@5.92		5.92					PE(36:5)	LipidMaps Bulk ID
PE 36:6; [M+H]+@5.62		5.62					PE(36:6)	LipidMaps Bulk ID
PE 37:6; [M+H]+@5.99		5.99					PE(37:6)	LipidMaps Bulk ID
PE 38:2; [M+H]+@7.58		7.58					PE(38:2)	LipidMaps Bulk ID
PE 38:4; [M+H]+@7.01		7.01					PE(38:4)	LipidMaps Bulk ID
PE 38:5; [M+H]+@6.54		6.54					PE(38:5)	LipidMaps Bulk ID
PE 38:6; [M+H]+@6.17		6.17					PE(38:6)	LipidMaps Bulk ID
PE 38:7; [M+H]+@5.98		5.98					PE(38:7)	LipidMaps Bulk ID
PE 39:6; [M+H]+@6.61		6.61					PE(39:6)	LipidMaps Bulk ID
PE 40:4; [M+H]+@7.42		7.42					PE(40:4)	LipidMaps Bulk ID
PE 40:5; [M+H]+@7.11		7.11					PE(40:5)	LipidMaps Bulk ID
PE 40:6; [M+H]+@6.88		6.88					PE(40:6)	LipidMaps Bulk ID
PE 40:7; [M+H]+@6.37		6.37					PE(40:7)	LipidMaps Bulk ID
PE 40:8; [M+H]+@5.97		5.97					PE(40:8)	LipidMaps Bulk ID
PE 42:11; [M+Na]+@5.44		5.44					PE(42:11)	LipidMaps Bulk ID
PE 42:5; [M+H]+@7.65		7.65					PE(42:5)	LipidMaps Bulk ID
PE 42:7; [M+H]+@7.01		7.01					PE(42:7)	LipidMaps Bulk ID
PE 42:8; [M+H]+@6.52		6.52					PE(42:8)	LipidMaps Bulk ID
PE 46:10; [M+H]+@6.88		6.88					PE 46:10	LipidBLAST
SM 30:1; [M]+@4.41		4.41					SM 30:1	LipidBLAST
SM 32:2; [M+Na]+@4.55		4.55					SM 32:2	LipidBLAST
SM 33:1; [M+Na]+@5.55		5.55		52931139
SM 34:0; [M+Na]+@6.16		6.16		9939965
SM 34:1; [M]+@5.83		5.83					SM 34:1	LipidBLAST
SM 34:2; [M+Na]+@5.33		5.33					SM 34:2	LipidBLAST
SM 35:1; [M]+@6.22		6.22					SM 35:1	LipidBLAST
SM 36:1; [M]+@6.71		6.71		44260139
SM 36:2; [M]+@6.01		6.01					SM 36:2	LipidBLAST
SM 37:1; [M]+@6.90		6.9					SM 37:1	LipidBLAST
SM 37:2; [M]+@6.45		6.45					SM 37:2	LipidBLAST
SM 39:1; [M]+@7.54		7.54					SM 39:1	LipidBLAST
SM 40:1; [M+Na]+@7.78		7.78					SM 40:1	LipidBLAST
SM 41:1; [M]+@8.11		8.11					SM 41:1	LipidBLAST
SM 41:2; [M]+@7.71		7.71					SM 41:2	LipidBLAST
SM 42:1; [M+Na]+@8.32		8.32		44260133
SM 42:2; [M+Na]+@7.82		7.82					SM 42:2	LipidBLAST
SM 44:2; [M]+@8.36		8.36					SM 44:2	LipidBLAST
TG 42:0; [M+NH4]+@9.78		9.78					TG(42:0)	LipidMaps Bulk ID
TG 44:1; [M+NH4]+@9.80		9.8					TG(44:1)	LipidMaps Bulk ID
TG 44:2; [M+NH4]+@9.55		9.55					TG(44:2)	LipidMaps Bulk ID
TG 46:0; [M+NH4]+@10.34		10.34					TG(46:0)	LipidMaps Bulk ID
TG 46:1; [M+NH4]+@10.09		10.09					TG(46:1)	LipidMaps Bulk ID
TG 46:2; [M+NH4]+@9.81		9.81					TG(46:2)	LipidMaps Bulk ID
TG 48:1; [M+NH4]+@10.35		10.35					TG(48:1)	LipidMaps Bulk ID
TG 48:2; [M+NH4]+@10.16		10.16					TG(48:2)	LipidMaps Bulk ID
TG 48:3; [M+NH4]+@9.89		9.89					TG(48:3)	LipidMaps Bulk ID
TG 49:1; [M+NH4]+@10.49		10.49					TG(49:1)	LipidMaps Bulk ID
TG 49:2; [M+NH4]+@10.28		10.28					TG(49:2)	LipidMaps Bulk ID
TG 50:0; [M+NH4]+@10.79		10.79					TG(50:0)	LipidMaps Bulk ID
TG 50:1; [M+NH4]+@10.58		10.58					TG(50:1)	LipidMaps Bulk ID
TG 50:2; [M+NH4]+@10.39		10.39					TG(50:2)	LipidMaps Bulk ID
TG 50:3; [M+NH4]+@10.20		10.2					TG(50:3)	LipidMaps Bulk ID
TG 50:4; [M+NH4]+@9.96		9.96					TG(50:4)	LipidMaps Bulk ID
TG 50:5; [M+NH4]+@9.76		9.76					TG(50:5)	LipidMaps Bulk ID
TG 51:1; [M+NH4]+@10.71		10.71					TG(51:1)	LipidMaps Bulk ID
TG 52:0; [M+NH4]+@11.02		11.02					TG(52:0)	LipidMaps Bulk ID
TG 52:1; [M+NH4]+@10.80		10.8					TG(52:1)	LipidMaps Bulk ID
TG 52:2; [M+NH4]+@10.61		10.61					TG(52:2)	LipidMaps Bulk ID
TG 52:3; [M+NH4]+@10.45		10.45					TG(52:3)	LipidMaps Bulk ID
TG 52:4; [M+NH4]+@10.23		10.23					TG(52:4)	LipidMaps Bulk ID
TG 52:5; [M+NH4]+@10.06		10.06					TG(52:5)	LipidMaps Bulk ID
TG 52:6; [M+NH4]+@9.81		9.81					TG(52:6)	LipidMaps Bulk ID
TG 53:0; [M+NH4]+@11.16		11.16					TG(53:0)	LipidMaps Bulk ID
TG 53:1; [M+NH4]+@10.94		10.94					TG(53:1)	LipidMaps Bulk ID
TG 54:1; [M+NH4]+@11.06		11.06					TG(54:1)	LipidMaps Bulk ID
TG 54:2; [M+NH4]+@10.87		10.87					TG(54:2)	LipidMaps Bulk ID
TG 54:3; [M+NH4]+@10.67		10.67					TG(54:3)	LipidMaps Bulk ID
TG 54:4; [M+NH4]+@10.48		10.48					TG(54:4)	LipidMaps Bulk ID
TG 54:5; [M+NH4]+@10.32		10.32					TG(54:5)	LipidMaps Bulk ID
TG 54:6; [M+NH4]+@10.15		10.15					TG(54:6)	LipidMaps Bulk ID
TG 54:7; [M+NH4]+@10.03		10.03					TG(54:7)	LipidMaps Bulk ID
TG 54:8; [M+NH4]+@9.71		9.71					TG(54:8)	LipidMaps Bulk ID
TG 56:0; [M+NH4]+@11.50		11.5					TG(56:0)	LipidMaps Bulk ID
TG 56:4; [M+NH4]+@10.77		10.77					TG(56:4)	LipidMaps Bulk ID
TG 56:5; [M+NH4]+@10.61		10.61					TG(56:5)	LipidMaps Bulk ID
TG 56:6; [M+NH4]+@10.48		10.48					TG(56:6)	LipidMaps Bulk ID
TG 56:7; [M+NH4]+@10.27		10.27					TG(56:7)	LipidMaps Bulk ID
TG 56:8; [M+NH4]+@10.10		10.1					TG(56:8)	LipidMaps Bulk ID
TG 56:9; [M+NH4]+@9.87		9.87					TG(56:9)	LipidMaps Bulk ID
TG 58:1; [M+NH4]+@11.55		11.55					TG(58:1)	LipidMaps Bulk ID
TG 58:10; [M+NH4]+@10.05		10.05					TG(58:10)	LipidMaps Bulk ID
TG 58:11; [M+NH4]+@9.81		9.81					TG(58:11)	LipidMaps Bulk ID
TG 58:5; [M+NH4]+@10.80		10.8					TG(58:5)	LipidMaps Bulk ID
TG 58:6; [M+NH4]+@10.72		10.72					TG(58:6)	LipidMaps Bulk ID
TG 58:7; [M+NH4]+@10.53		10.53					TG(58:7)	LipidMaps Bulk ID
TG 58:8; [M+NH4]+@10.37		10.37					TG(58:8)	LipidMaps Bulk ID
TG 58:9; [M+NH4]+@10.17		10.17					TG(58:9)	LipidMaps Bulk ID
TG 60:10; [M+NH4]+@10.33		10.33					TG(60:10)	LipidMaps Bulk ID
TG 60:12; [M+NH4]+@9.97		9.97					TG(60:12)	LipidMaps Bulk ID
TG 60:13; [M+NH4]+@9.76		9.76					TG(60:13)	LipidMaps Bulk ID
TG 62:11; [M+NH4]+@10.32		10.32					TG(62:11)	LipidMaps Bulk ID
TG 62:12; [M+NH4]+@10.24		10.24					TG(62:12)	LipidMaps Bulk ID
TG 62:14; [M+NH4]+@9.82		9.82					TG(62:14)	LipidMaps Bulk ID
TG 64:15; [M+NH4]+@9.86		9.86					TG(64:15)	LipidMaps Bulk ID
TG 64:16; [M+NH4]+@9.76		9.76					TG(64:16)	LipidMaps Bulk ID
TG 66:18; [M+NH4]+@9.68		9.68		9546569			LMGL03012611	LipidMaps
lysoPC 14:0; [M+H]+@1.14		1.14					LPC(14:0)	LipidMaps Bulk ID
lysoPC 15:0; [M+H]+@1.40		1.4		24779458			LMGP01050016	LipidMaps
lysoPC 16:0; [M+H]+@1.59		1.59					LPC(16:0)	LipidMaps Bulk ID
lysoPC 16:1; [M+H]+@1.39		1.39					LPC(16:1)	LipidMaps Bulk ID
lysoPC 18:0; [M+Na]+@2.27		2.27					LPC(18:0)	LipidMaps Bulk ID
lysoPC 19:0; [M+H]+@2.94		2.94		24779472			LMGP01050041	LipidMaps
lysoPC 19:0; [M+Na]+@2.92		2.92		24779472			LMGP01050041	LipidMaps
lysoPC 20:1; [M+H]+@2.56		2.56					LPC(20:1)	LipidMaps Bulk ID
lysoPC 22:4; [M+H]+@1.91		1.91		52924039			LMGP01050124	LipidMaps
lysoPC 22:5; [M+Na]+@1.57		1.57					LPC(22:5)	LipidMaps Bulk ID
lysoPE 16:0; [M+H]+@1.66		1.66					LPE(16:0)	LipidMaps Bulk ID
lysoPE 18:0; [M+H]+@2.50		2.5					LPE(18:0)	LipidMaps Bulk ID
lysoPE 18:1; [M+H]+@1.85		1.85					LPE(18:1)	LipidMaps Bulk ID
lysoPE 18:2; [M+H]+@1.37		1.37					LPE(18:2)	LipidMaps Bulk ID
lysoPE 20:4; [M+H]+@1.38		1.38					LPE(20:4)	LipidMaps Bulk ID
lysoPE 22:6; [M+H]+@1.32		1.32					LPE(22:6)	LipidMaps Bulk ID
plasmenyl-PC 18:0; [M+Na]+@1.68		1.68					PC(P-18:0)	LipidMaps Bulk ID
plasmenyl-PC 20:0; [M+Na]+@2.59		2.59					PC(P-20:0)	LipidMaps Bulk ID
plasmenyl-PC 32:0; [M+Na]+@7.04		7.04					PC(P-32:0)	LipidMaps Bulk ID
plasmenyl-PC 34:1; [M+Na]+@7.14		7.14					PC(P-34:1)	LipidMaps Bulk ID
plasmenyl-PC 34:2; [M+Na]+@6.72		6.72					PC(P-34:2)	LipidMaps Bulk ID
plasmenyl-PC 36:3; [M+Na]+@6.77		6.77					PC(P-36:3)	LipidMaps Bulk ID
plasmenyl-PE 34:0; [M+H]+@7.66		7.66					PE(P-34:0)	LipidMaps Bulk ID
plasmenyl-PE 36:0; [M+H]+@8.22		8.22					PE(P-36:0)	LipidMaps Bulk ID
plasmenyl-PE 36:1; [M+H]+@7.75		7.75					PE(P-36:1)	LipidMaps Bulk ID
plasmenyl-PE 36:2; [M+H]+@7.34		7.34					PE(P-36:2)	LipidMaps Bulk ID
plasmenyl-PE 36:4; [M+H]+@6.69		6.69					PE(P-36:4)	LipidMaps Bulk ID
plasmenyl-PE 36:5; [M+H]+@6.34		6.34					PE(P-36:5)	LipidMaps Bulk ID
plasmenyl-PE 38:4; [M+H]+@7.27		7.27					PE(P-38:4)	LipidMaps Bulk ID
plasmenyl-PE 38:5; [M+H]+@6.88		6.88					PE(P-38:5)	LipidMaps Bulk ID
plasmenyl-PE 38:6; [M+H]+@6.58		6.58					PE(P-38:6)	LipidMaps Bulk ID
plasmenyl-PE 40:4; [M+H]+@7.68		7.68					PE(P-40:4)	LipidMaps Bulk ID
plasmenyl-PE 40:5; [M+H]+@7.33		7.33					PE(P-40:5)	LipidMaps Bulk ID
plasmenyl-PE 40:6; [M+H]+@7.21		7.21					PE(P-40:6)	LipidMaps Bulk ID
plasmenyl-PE 42:4; [M+H]+@8.15		8.15					PE(P-42:4)	LipidMaps Bulk ID
plasmenyl-PE 42:6; [M+H]+@7.78		7.78					PE(P-42:6)	LipidMaps Bulk ID
METABOLITES_END
#END