#METABOLOMICS WORKBENCH HaileyHeil_20190115_121111 DATATRACK_ID:1602 STUDY_ID:ST001121 ANALYSIS_ID:AN001846 PROJECT_ID:PR000752
VERSION             	1
CREATED_ON             	January 16, 2019, 10:00 am
#PROJECT
PR:PROJECT_TITLE                 	Lipidomic analysis of urine in patients with interstitial cystitis.
PR:PROJECT_SUMMARY               	The urine of 43 patients with interstitial cystitis was analyzed using the WCMC
PR:PROJECT_SUMMARY               	lipidomics method. The target goal of this project is to identify urinary
PR:PROJECT_SUMMARY               	metabolites in patients with urological disorders.
PR:INSTITUTE                     	University of California, Davis
PR:DEPARTMENT                    	Genome and Biomedical Sciences Facility
PR:LABORATORY                    	WCMC Metabolomics Core
PR:LAST_NAME                     	Fiehn
PR:FIRST_NAME                    	Oliver
PR:ADDRESS                       	1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis,
PR:ADDRESS                       	CA 95616
PR:EMAIL                         	ofiehn@ucdavis.edu
PR:PHONE                         	(530) 754-8258
#STUDY
ST:STUDY_TITLE                   	Identification of urine metabolites in patients with interstitial cystitis using
ST:STUDY_TITLE                   	untargeted metabolomics (part I)
ST:STUDY_SUMMARY                 	Urine metabolites are used in many clinical and biomedical studies, but usually
ST:STUDY_SUMMARY                 	only for a few classic compounds. Metabolomics detects vastly more metabolic
ST:STUDY_SUMMARY                 	signals that may be used to precisely define the health status of individuals.
ST:STUDY_SUMMARY                 	However, many compounds remain unidentified, hampering biochemical conclusions.
ST:STUDY_SUMMARY                 	Here, we annotate all metabolites detected using an untargeted metabolomics
ST:STUDY_SUMMARY                 	approach with a charged surface hybrid (CSH) assay on a Q Exactive HF mass
ST:STUDY_SUMMARY                 	spectrometry.
ST:INSTITUTE                     	University of California, Davis
ST:DEPARTMENT                    	Genome and Biomedical Sciences Facility
ST:LABORATORY                    	WCMC Metabolomics Core
ST:LAST_NAME                     	Blaženović
ST:FIRST_NAME                    	Ivana
ST:ADDRESS                       	1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis,
ST:ADDRESS                       	CA 95616
ST:EMAIL                         	ivana.blazenovic@gmail.com
ST:PHONE                         	(530) 754-8258
ST:TOTAL_SUBJECTS                	43
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	IC1_22	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC2_23	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC3_24	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC4_25	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC5_26	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC6_27	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC7_28	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC8_29	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC9_30	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC10_31	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC11_32	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC12_33	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC13_34	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC14_35	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC15_36	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC16_37	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC17_38	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC18_39	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC19_40	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC20_41	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC21_42	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC22_43	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC23_44	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC24_45	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC25_46	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC26_47	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC27_48	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC28_49	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC29_50	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC30_51	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC31_52	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC32_53	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC33_54	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC34_55	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC35_56	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC36_57	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC37_58	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC38_59	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC39_60	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC40_61	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC41_62	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC42_63	Condition:Interstitial cystitis	
SUBJECT_SAMPLE_FACTORS           	-	IC43_64	Condition:Interstitial cystitis	
#COLLECTION
CO:COLLECTION_SUMMARY            	Urine samples were collected from 43 patients with interstial cystitis. Urine
CO:COLLECTION_SUMMARY            	was frozen to -80°C and shipped to the WCMC on dry ice, where samples were
CO:COLLECTION_SUMMARY            	stored at -80°C until analysis.
CO:SAMPLE_TYPE                   	Urine
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Patients were not receiving any treatment at the time the urine was collected.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were removed from the -80°C freezer and allowed to thaw on ice. 225 µL
SP:SAMPLEPREP_SUMMARY            	of MeOH with lipid internal standards was added to each sample. Samples were
SP:SAMPLEPREP_SUMMARY            	vortexed for 10 seconds. 750 µL of MTBE plus quality controls was added to each
SP:SAMPLEPREP_SUMMARY            	sample. Samples were vortexed for 10 seconds. 188 µL of LC-MS grade water was
SP:SAMPLEPREP_SUMMARY            	added to each sample. Samples were shaken at 4°C on an orbital mixing plate for
SP:SAMPLEPREP_SUMMARY            	6 minutes. Samples were centrifuged for 2 minutes at 14,000 rcf. 2 aliquots of
SP:SAMPLEPREP_SUMMARY            	350 µL were removed from the top, organic phase. One aliquot was stored at
SP:SAMPLEPREP_SUMMARY            	-20°C for backup and the other was dried using a Labconco centrivap. 2 aliquots
SP:SAMPLEPREP_SUMMARY            	of 125 µL of the bottom polar phase were removed. One aliquot was stored at
SP:SAMPLEPREP_SUMMARY            	-20°C for backup and the other was dried using a Labconco centrivap.
SP:SAMPLE_RESUSPENSION           	For lipidomics analysis, samples were resuspened in 110 µL of 9:1
SP:SAMPLE_RESUSPENSION           	methanol:toluene with 50 nM of CUDA as an internal standard. Samples were
SP:SAMPLE_RESUSPENSION           	vortexed for 10 seconds and then sonicated in room temperature water for 5
SP:SAMPLE_RESUSPENSION           	minutes. Samples were run in a centrifuge for 2 minutes at 16,100 rcf. 100 µL
SP:SAMPLE_RESUSPENSION           	of the supernatant was removed and submited to lipidomics analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	CSH
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters Acquity CSH C18 (100 x 2.1mm, 1.7um)
CH:FLOW_GRADIENT                 	0 min 15% B; 0−2 min 30% B; 2−2.5 min 48% B; 2.5−11 min 82% B; 11−11.5
CH:FLOW_GRADIENT                 	min 99% B; 11.5−12 min 99% B; 12−12.1 min 15% B; 12.1−15 min 15% B.
CH:FLOW_RATE                     	600 µL/min
CH:COLUMN_TEMPERATURE            	65°C
CH:SOLVENT_A                     	acetonitrile:water (60:40, v/v) with ammonium formate (10 mM) and formic acid
CH:SOLVENT_A                     	(0.1%)
CH:SOLVENT_B                     	2-propanol:acetonitrile (90:10, v/v) with ammonium formate (10 mM) and formic
CH:SOLVENT_B                     	acid (0.1%).
CH:COLUMN_PRESSURE               	600 bar - 900 bar
CH:INTERNAL_STANDARD             	50 nM CUDA
CH:SAMPLE_INJECTION              	1 µL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF hybrid Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Data was processing using X-Calibur Qual Browser, MS-Dial, and MS-Flo following
MS:MS_COMMENTS                   	the data processing procedure outlined by the WCMC.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak Height
MS_METABOLITE_DATA_START
Samples	IC1_22	IC2_23	IC3_24	IC4_25	IC5_26	IC6_27	IC7_28	IC8_29	IC9_30	IC10_31	IC11_32	IC12_33	IC13_34	IC14_35	IC15_36	IC16_37	IC17_38	IC18_39	IC19_40	IC20_41	IC21_42	IC22_43	IC23_44	IC24_45	IC25_46	IC26_47	IC27_48	IC28_49	IC29_50	IC30_51	IC31_52	IC32_53	IC33_54	IC34_55	IC35_56	IC36_57	IC37_58	IC38_59	IC39_60	IC40_61	IC41_62	IC42_63	IC43_64
Factors	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis	Condition:Interstitial cystitis
AC 11:0; [M]+	45899	509337	1132499	75395	0	197487	1458048	1127344	486687	158838	1513799	164864	510016	329684	378614	461280	696186	305384	1178236	238556	122528	409816	55163	224577	136558	542197	815875	547402	621654	487635	424675	394786	582507	233516	383273	100531	271205	421710	0	130390	74578	2431148	344607
AC 11:1; [M]+	24438					115075	106599		179624		40446	30902	26121	318093									31430			301742	50753	25300										32823		32176			138312
AC 12:2; [M]+	138251	744774	536593	560981	116187	1611342	1610789	460072	1360235	351178	513209	911287	569207	1284459	1761616	2094486	484591	725023	413018	831519	285296	1276475	158879	546311	250771	584621	410516	832546	278213	273555	328707	287309	289586	1057225	462774	262397	195258	465820	345048	199043	168652	426772	419623
AC 12:3; [M]+	466462	194590	152456	563419	108882	271167	792149	2439722	914551	362981	708007	249942	477479	0	162133	599173	412550	936664	2257177	316172	789281	1009692	248203	566897	514496	338528	643298	194700	1693988	1312476	301562	145562	652812	176038	2524277	390148	341824	455003	258817	585736	538782	381680	1079126
AC 13:0; [M]+	0	1085742	1749481	55641	17021	704517	640556	99339	30417	117042	9460638	192557	469388	2534677	293220	77930	1144558	1098337	237579	1300219	478442	922164	0	879297	205337	908536	368222	2548474	1549875	211403	360951	654663	6395030	3879784	265767	179622	82405	166403	1029422	2749708	152590	620991	1268150
AC 13:1; [M]+	848843	8441379	1961396	3373002	232038	1560734	5551770	5001378	1504730	2526101	6465507	886118	2853652	9969973	9799729	713216	4463921	1942677	4948523	1900651	1188535	10948126	502427	1506453	1821888	3777408	5520302	4470624	10060360	1092464	2258036	1015124	2598111	1386776	2030953	1076118	460045	1004054	1156891	493033	1669706	15330428	3750946
AC 14:0; [M]+	206001	703387	663229	206012	107439	343393	440118	524072	308800	240480	939405	458255	1073689	1282671	692926	181891	729285	283740	485441	304795	493776	778140	199811	517329	361216	1009241	478879	1272078	188919	286279	319647	194401	238853	259012	529832	133410	140225	449108	249320	240922	204471	673275	339301
AC 14:1; [M]+	32038	138447	153845	48256	28732	84019	266207	174721	99488	56517	131221	123470	235428	384584	82982	38711	107135	129550	27901	105718	40652	161126	21873	130238	73911	267047	96770	176323	60880	86011	62383	122767	35245	151770	75559	35558	30034	90177	34970	31506	132847	166861	96051
AC 14:3; [M]+	2296214	11217098	7331055	6314294	2284259	3615680	9610716	9940305	6400843	4721240	10009810	4308110	13088079	18643540	6034006	7882492	5474340	4900019	24635614	7845744	10092899	12538865	2703820	8538434	4791864	53207928	12125024	13065968	12443973	17710490	1438700	4428202	8336636	3628089	15302085	2982703	8133626	7528532	4425529	7367876	2617258	18191034	6019278
AC 16:3; [M]+	1032804	4204768	3741293	1000055	1406230	1008043	2592110	3277900	1850072	2126903	2682972	1562684	2314743	4632578	2065240	2193903	735099	1805048	2730770	885981	1886064	5229726	649670	986862	2327028	158749	1791654	1206723	2591727	2728346	1270815	7249830	1099430	957934	2808900	5576126	1099922	4257990	1015189	1133166	322584	3857741	1666776
AC 16:4; [M]+	92096	359385	370025	136577	58100	287420	188382	282632	148768	161955	240241	273978	182943	542825	337049	68693	148978	401204	204700	252933	80215	525530	112060	194223	101099	239287	192959	281718	216288	227074	153124	146970	123128	286100	147797	130550	141493	188504	108721	99547	126200	311332	183812
AC 18:0; [M]+	3142849	13284232	28923	779651	141181	81163	4712902	2748133	135412	954886	5117587	287324	1722010	80165	204684	740963	673837	412551	3271698	184886	52467	791246	126651	3142094	868919	39405	1650134	829273	3321670	35334	1976683	5305266	83160	49332	120919	2659092	29828	10127935	613606	2613598	57700	10858497	104626
AC 19:5; [M]+	19061054	160665344	72016984	42388384	2506248	38212340	21919324	176497968	8074546	25420562	49245536	171616176	72770248	170184160	105541648	25244040	79038136	116235416	53731744	56452000	29503522	18401400	23273946	59304888	12514553	26086952	44210660	22514570	14062207	27098878	34390484	39692744	16243311	9784449	56998784	33001974	42091720	26497714	43822332	31937268	64650724	20523846	36545972
AC 5:0; [M]+	682093	604892	315969	699371	4836094	2444136	476133	1642738	213811	564898	508771	377885	326879	2123806	334011	1420061	977512	382165	484164	535885	2040722	1019203	670352	217814	1488586	0	743863	434113	720547	547719	636268	361807	358253	1146523	539299	1515976	1402533	2188499	741379	375198	1183789	447557	710698
AC 9:0; [M]+	297993	338153	316881	49289	214482	553307	1821448	266153	224267	57759	644788	165606	171978	3588299	151428	378316	180233	356755	39417	176752	31612	240696	34547	196249	293953	521399	271582	422113	432317	366942	1025743	133423	111615	234936	288983	93740	63195	61163	195847	116084	233215	611586	1094419
AC(10:0) [M+H]+	24403	29111	23480	31366	19960	21551				24834			23642	30543					27579					27620	13929	24113	33826	24809	21784	26712		14075	24938	38421		22076	20724		32197				23700
AC(10:1) [M+H]+	18817	122109	219947	26876	39000		89433	123379	252109	22026	40722	277905	39203	260927	71471	103238	138084	139356	15067	53746	15474	71296	13627	47883	15840	135989	53634	40986	24096	16092	34656	200494	128589	100120	23847	135292	25775	162900	30258	124517	42153	100149	28844
AC(12:0) [M+H]+			245893				395314		323763							453746		1103656		91435							82497	46612					210645			348275				309842			
AC(14:2) [M+H]+		19004			16130									17376						20420							17675						17341						13332	22331			
AC(8:0) [M+H]+	220345	155063	248865	102247	66248	157064	440119	186082	178454	172289	417880	138948	175612	221262	160722	106712	233587	83352	128284	168959	118681	139029	155903	169915	159653	408535	397469	168374	152280	234002	399202	221415	82996	176418	216903	84732	121942	157027	186782	149574	232878	154537	135320
CE(16:1) [M+Na]+	49842	1505898	6028250	19861	766493	253475	147541	140842		245799	472306	313892	170241	317508	120582	21984	148768	2569589	933711	80990	294159	897454	59040	81205	127791	134272	162066	101263	572589	255214	32169	107921	481094	4298822	6125610	36747	117493	59975	26698	128172	113543	132683	38355
CE(18:1) [M+Na]+	836491	1711723	2271895	215636	239924	127521	331344	281751	296388	91936	281234	316027	142181	293557	237789	156894	285316	265214	5217666	267692	68950	171516	196742	287378	50187	295313	303659	281707	105210	72917	279043	224012	177910	868578	1002161	1149661	1077142	200140	138023	206835	375401	1132280	1526181
CE(18:2) [M+Na]+	37971	40097	25986	43241		35713		20505	41577	33285	38850		39542				32728		29537	34635			41705	37818	22822	19761	31699	33608	38752	32845	17237		31385	30471	33033	36540	41877		39456	47767	43514		29819
CerP 16:0; [M+H]+	293767	1842438	307663	195375	466302	206608	596576	267848	175043	266608	531190	259639	293276	511157	224352	810401	154483	275532	221536	470874	130785	164879	303986	230248	2698978	345189	273928	187541	297749	248436	168057	262678	242207	368511	227871	373101	392606	638564	425623	357688	185125	497446	206147
CerP 18:0; [M+H]+	177235	197571	204851	168294	115959	170514	225342	178408	239019	159887	105305	151562	186326	142256	174148	178029	153950	241015	228562	150649	150268	204428	226429	222920	174707	193049	125319	207636	256458	161889	140033	261947	192361	168482	146234	512640	138608	228108	268742	174904	188109	187455	207542
CerP 20:0; [M+H]+	35483	37747		27041	30081	31209			32267		26938	32981	30659			27474			35046	30599			24092	24256	30069	27069		38744					25847				31970	38265			24449		19521
CerP 20:1; [M+H]+	445101	936733	675786	579320	539203	608215	206583	494093	673796	572601	685622	394434	601894	812096	823807	594201	205342	338150	548183	535350	1021194	292955	638526	986805	343226	599707	512912	400617	452606	423385	704140	638934	520620	630747	732388	563535	536292	863733	755298	761523	490614	376665	924568
CerP 21:1; [M+H]+					35247																																						
Cholesterol [M+H-H2O]+	386523	1590961	136309	237362		196165	163552	164342		32142	508303	1549874	273950	996444	263929		2455758		347005	60297	104377	880677	119088	485840	104610	329489	359775	382372	398026	36966	156288	959282	70645	92879	418682	420370	30465	171137	31845	60188	426406	569763	83570
DG 17:0; [M+NH4]+	1677821	329911	354400	236097	351550	1779612	376490	279666	1677078	1833042	265523	272206	305339	314488	328579	1717822	1803975	379594	268307	349577	225771	1652592	293305	357280	383339	314377	380670	267398	527415	375164	1732123	1763981	302077	390173	416512	162876	256082	221184	332569	439353	284040	1664341	1740717
DG 32:4; [M+NH4]+	111319	158867	189397	324328	218633	133324	402674	742182	93125	149315	2098578	856005	529637	778213	1232295	162924	1185122	170468	235547	962238	162856	87888	92243	1350309	121579	1031207	1420553	1732141	102528	214934	725876	544369	259643	153259	154396	205738	163749	429071	405798	372418	632795	756601	455104
DG 34:1; [M+NH4]+	53141	148574	108124	67480	62881	13822	118235	113999	71403	89003	122537	102751	96940	148807	195706	41428	160290	148138	110548	134042	44806	83919	50267	280298	72881	197276	78429	169742	92447	125796	77967	70455	111215	92517	199418	42226	38826	83889	61319	100029	83096	102928	81182
DG 38:2; [M+NH4]+	35606			34234	28584	33610						43365	33781		35895		20055		33619			30252			33162	46269			38332	25791			47075	38333	33037			44478		37600		45836	
DG 38:4; [M+NH4]+	315207	763338	529154	366710	640192	692387	569440	398766	737818	663086	524667	326298	399551	475495	466454	1185009	262087	715842	1193933	527111	380968	459868	858284	545015	339445	356789	548146	472575	1835253	443621	437772	771892	286637	354971	946267	404143	527390	253808	74267	423087	277152	496388	789645
DG 40:3; [M+NH4]+								13726																																			
DG 43:4; [M+NH4]+								13726																																			
EtherPC 32:0e; PC(14:0e/18:0); [M+H]+	4570788	9776941	8522623	2704033	291079	3502484	8266538	10538927	699117	1916664	9628917	3123027	8954598	5261820	4144870	2868542	6039662	2769609	6098040	2629407	1768314	4353448	992446	7496307	3278714	4475622	5802948	7239486	9126820	8010303	7029192	5503689	2387547	3425869	2822564	4588174	626696	9786626	2659563	6337068	790055	11673338	1517946
EtherPC 34:1e; PC(14:0e/20:1); [M+H]+	69963	145896	208451	160838	116280	164821	197262	278306	207001	132390	424370	185009	231279	149224	206159	124187	128950	206748	166260	134504	156418	172076	137566	225064	120612	240279	206195	213090	202496	165612	280534	107903	214523	235911	115868	98950	184688	175206	125034	212700	123575	251593	174491
EtherPE 36:2e; PE(18:0e/18:2); [M+H]+	2569880	11806842	21382506	2320680	2750070	3497904	67520168	33473076	9293225	8960300	10168182	5866119	35617416	1914360	32399854	15441027	3031305	22971752	6373714	167539584	36001688	17382326	81605992	6912210	4442627	7340180	22364694	25822060	18069188	46968376	15710535	32848684	66766768	6042061	39171648	56617700	121899168	15735817	5441578	3250850	2965095	6230303	25931172
lysoPC 10:0; [M+H]+	100217	117301	181693	117355	128678	129076	142469	567794	522655	94945	133060	245067	142353	123636	516277	183622	189270	268131	139470	208866	133322	115679	89589	445677	103868	474279	164132	155887	139630	85817	554527	545095	153605	112544	121462	156140	159121	121906	84835	128470	214679	143351	94823
lysoPC 10:0; [M+Na]+	194394	204038	289787	173977	175201	162318	263548	185128	229237	280061	232500	131253	159586	141169	178453	281733	185438	170779	469477	133155	145192	200693	181183	194772	304038	346977	95778	363377	197679	189036	137748	192671	256753	311845	137500	232515	284966	184237	237064	269128	469966	116777	334991
lysoPC 22:2; [M+Na]+	92259	101939	181693	137857	125087	111436	194596	121639	183377	179429	93665	589965	114473	581972	81315	153244	549749	138801	94040	562075	123046	145434	113672	70596	93170	171924	503838	512946	144089	117234	150706	165543	153458	100794	109845	135121	106622	147272	177008	126655	105964	107845	92371
lysoPC 3:0; [M+H]+	80116	342680	1885357	90504	38496	141668	348961	310313	1114424	124774	417967	220135	324653	83065	188395	128154	197842	326771	69309	139905	52781	165548	52482	135811	79865	165065	149434	215102	91503	89793	114223	165590	483472	220617	118802	140258	468020	77068	112098	110495	394078	105936	143914
lysoPC 3:0; [M+Na]+	71155	57959	713756	53910	24522	52600	164242	71602	504233	59335	252928	168432	163029	45828	142413	94379	100462	86287	30761	73419	52412	113661	45687	65805	66617	56022	68977	65407	54379	71029	41142	89548	215250	120855	70391	58400	206069	68470	81991	59206	226946	110836	53213
lysoPC 5:0; [M+H]+	142654	78768	183095	175504	111866	81540	128482	209865	357730	182829	156062	273684	162959	132370	199742	149044	151293	163374	152756	103273	114184	111834	140545	179992	123030	87266	120005	198440	108871	111929	148932	118562	190111	109199	112467	127718	142638	203481	119105	189327	191823	90669	108012
lysoPC 7:0; [M+H]+	27533	55742	64635	56547	41710	54957	75617	55848	78922	46609	51406	66350	54473	82625	75692	68045	104002	61386	66116	53183	59693	63479	54517	47352	72124	82949	59052	65317	74473	44003	56517	62645	352117	76343	91286	62649	60448	59902	58416	66405	74575	62901	60305
lysoPC 8:0; [M+H]+	173500	167046	336582	183956	188883	182861	171677	306478	234061	290229	194230	159318	186994	176298	91859	201279	191003	221974	244701	323215	186098	208739	152699	205145	171312	179168	206571	275955	169865	155160	161505	185305	289555	157411	200929	188262	168946	273412	97794	186452	222332	287030	165619
LysoPE 17:1; [M+H]+	96757	157729	303931	239107	47886	259659	99238	330194	0	0	609714	0	671972	686221	0	101097	0	0	0	0	46663	0	245612	665767	0	0	0	604554	0	169724	0	0	87280	154197	178478	120945	543834	277754	534504	121784	0	0	0
lysoPE 21:0; [M+H]+	60401	79973	112805	79971	62467	49619	228034	254542		68663	183387	401278	135472	456434	516657	47496	211009	491101	79568	202072	58721	105668	63748	511889	72241	256769	469183	476074	74958	96096	221060	137396	179085	107119	90906	113839	83298	148080	103621	87071	376156	227161	70076
lysoPE 4:0; [M+Na]+	145530	80891	78834	114527	90129	107524	110117	123111	207938	218170	133241	109766	125762	109061	137683	170514	209260	142297	88201	83290	102783	61568	107414	150421	101455	132554	106523	299630	144039	174136	157574	105590	97973	114893	199690	132495	129854	95385	109275	126554	108958	146731	122784
MG 14:1; [M+NH4]+	89946	53551	110223	72056	65866	64165	143027	136231	155365	64274	92748	171440	74040	143645	145525	132771	160644	162524	61352	160214	58609	99281	57308	149928	66721	148698	229946	94221	59142	42207	173798	255233	123599	61975	60487	105253	138476	123006	84729	154314	167359	159954	117249
MG 15:0; [M+NH4]+	94488	116434	41989	54238	29733	94163	67624	40733		49312	76961	38174	29794	67179	55424	31566	50614	29656	87239	46037	26691	57153	62504	29793	63021	70714	36035	35348	90447	45542	57417	87224	115963	113727	43060	30673	43295	35704	24740	31640	42936	69233	33834
MG 15:1; [M+NH4]+	873836	1233780	1361375	962017	1823964	918937	1182568	1174491	1326356	1165031	1360216	1412979	1254538	1395242	1059237	995347	1172756	1573066	1073229	1307987	899482	1270534	798220	1333835	937601	1148928	1247820	1251662	1139640	1291538	1245951	1454716	1446971	1356026	1140496	679626	794498	549100	581994	942379	1029036	1291240	1200744
MG 17:0; [M+NH4]+	12604		12681	14128	16415	16939	25458	20479			34417	26096	15349	29763	82086	22561	31991	23333	14333	19068	12566	20749	13874	34445	21747	29860	37974	26522	22900		33376	41881		19836	13741		17440		21166		24745	32102	
MG 18:0; [M+NH4]+	16956	42441		19316	20252		61031	46497		18235	85651	128329	60377	90518	272753		75898	96636	18928	49023	22428	22979	20874	78156	18956	105701	95927	68391	22900	17987	45953	75008	30681	50252	15225		31975	32173	24558		83213	141463	38728
MG 18:1; [M+NH4]+	368798	339382	448388	240715	529954	357500	384193	336392	509999	556709	234149	925993	350111	345849	334977	845256	281872	486002	295490	279245	326904	314090	208570	260840	390293	359653	384707	754471	474707	458660	604943	402002	353364	274045	858545	1053307	1063760	222635	231828	302398	499213	313114	175058
MG 18:3; [M+NH4]+	11141	18869	25499					15380		14449	10847	14302	13838	10721	21860			13920	22016		10733					10776	17172	9921	18622	18105				13143	11675			160381				13360	
MG 19:0; [M+NH4]+	15593	14801			20969	10374	25450	23957	168446	16094	14402	11352	17274	16640	13360	13663	20294		18637	14350	18853	16873	15874	10422	12974	13964	14925	23490	18444	17099	19873	15374		17479	22664	15040	16009	17197	20523	21776	19394	18734	19779
MG 20:0; [M+NH4]+	107163	91536	90465	83650	90814	81960	83779	92108	75417	88323	83608	68150	89182	118105	73216	143122	86776	66146	91991	114364	70380	81392	88417	70766	65049	87316	60107	77496	71918	86489	66214	87542	66812	93994	75845	93158	90750	75317	74391	202612	73744	73720	83803
MG 20:1; [M+NH4]+	90243	81498	99738	87226	90794	80119	77937	81769	80426	59897	77749	122347	98778	70548	90845	86591	103509	70222	80011	119262	66390	67060	74757	107744	60528	70763	101809	85675	71292	73619	86245	68792	94204	80446	118909	70887	81980	91968	87422	92082	119866	149615	105137
MG 20:2; [M+NH4]+	44662	149612	335807	90194	39371	85697	62814	84883		107058	180770	1180260	138597	155386	665261		226254	78467	59864	57448	217044	148491	31477	307312	76974	800998	117724	765184	81798	72379	51344	216362		69530	40333	39020	34574	139717	96111	138641	259179	307302	2707250
MG 20:4; [M+NH4]+		21167						50095																		65089				32772											213911		
MG 21:0; [M+NH4]+				18965	15548	15713			143645				16346	19527				238742									15830				13552				12709			20138			309858		18899
MG 22:1; [M+NH4]+				37494	64954	66722		32826	152366	33331	22997	598536		45365	69837	60624	58000	577134		35625	20380	37789	64562	51696	13669	37170	64589		32710	22346	70853			328225			25331		30063		832330		
MG 22:2; [M+NH4]+				12864					89066		11354					13967		60616							11882			13412			24695				11542		11337				61604		
MG 22:4; [M+NH4]+	92879	301784	194318	28419	190309	19420		57916		37391	109296	97065	83842	64353	349221		370114	121616	544833	56308	16878	257595	26958	24691	25389	216805	96618	78066	182416	35882	301955	22514		30719	30403	210398	13769	37843	29449	46232	333763	43483	192226
MG 22:5; [M+NH4]+		19919		32835	22791	21464	45461			43839	20033	20103		40322	28818		25751			23685	23827	27403	21097	22720		26922	28014	12589	22289		39396							28423	25858	20788	21140	23480	17602
MG 3:0; [M+NH4]+		28510	35051	18867	17902	18188	38860	29997		15410	47530			45262	20983		21887		29696	67886		24084		28825	16077	55728	36532		22735		15471	25912	22906	18395	27081	30550	21593					22707	18154
PA 23:1; [M+Na2-H]+	2063983	2884841	2698289	2936408	3003844	2809215	7366606	2201993	2920828	2437590	2417124	3026249	2596591	2558780	2344488	2616959	2268404	2550821	2617623	2956584	7955830	2619754	1744951	2546311	3127598	3720040	3118921	2609562	3117109	2859500	2570705	2016355	3548809	2816202	3551286	2534964	1586114	1976258	2730654	2700569	2348781	3002423	7470694
PA 26:1; [M+Na]+	2486431	3087405	2870449	2893043	2477320	2388590	7366969	2843700	1586008	3094595	2316724	3419001	2672784	2966375	2530442	2939535	3520700	2133672	2370198	3117868	2287848	2238185	2839795	2748622	2381024	2663364	3156861	2930208	2750084	2601560	3307450	2225755	1775378	3133975	3356156	3035116	3138662	3136639	2424339	3155235	2889905	2208041	2484192
PA 27:4; [M+Na2-H]+	152966	263190	204054	172319	511345	187697	161235	127767	558029	279876	203045	210923	283445	205764	129637	173306	175425	444781	175979	251931	140080	207797	210583	138460	194210	233833	261527	220070	163367	167208	121934	110863	370091	146294	458776	192301	156762	154266	219955	186460	378831	172502	156726
PA 28:3; [M+Na2-H]+	733738	317116	796665	290859	738052	315910	309996	790142	809313	309957	714764	132908	286903	682298	103822	806521	321303	488373	128400	316684	303725	290178	301631	124211	759762	741762	285132	302153	717713	304387	697800	299857	795715	316017	340414	303160	117629	764121	727509	794849	290340	739734	752482
PA 29:6; [M+Na2-H]+	297259	212749	147245	138430	182370	194127	118853	158797	195786	74480	83622	134746	108519	139919	131394	153815	96086	142104	162411	162160	114445	93048	123362	165400	98404	132333	130816	127720	125216	145975	81852	184439	110067	101264	112534	161445	187255	124038	124651	143281	291905	130441	164090
PA 41:5; [M+Na2-H]+	307124	125983	114836	140869	87633	123814	102450	100630	144511	141472	114491	132993	100405	122582	132312	132123	165618	117781	142301	165471	166897	201905	206703	153311	142190	137937	138739	184144	165593	186821	136685	167677	101933	158823	112748	123131	143661	210594	171424	118690	259648	100888	169519
PA 46:0; [M+Na]+	91885	103702	147549	107522	147951	117665	130235	86087	140888	104155	143404	100696	99680	123593	139306	159207	157890	159649	154618	105543	120667	102715	120381	155902	108384	157831	55632	149103	135624	166489	159547	116256	198928	300491	143857	135521	98362	151241	142966	103871	148373	104795	136035
PA 6:0; [M+Na]+	130111	62979	113057	78070	79372	126160	212546	92660	93612	137078	85388	114210	127690	133264	91399	92428	107710	184047	87756	141423	89982	99735	97718	77392	99983	134466	109954	150778	94040	135015	99968	70327	159168	125190	109412	93739	131771	120450	126395	79414	79033	104687	107660
PA 7:0; [M+Na]+										17631											14342				11777																24055		
PA 8:0; [M+Na]+																							44720																				
PC 10:0; [M+H]+	174421	287751	277953	291674	322981	255551	225990	154259	233447	223945	214002	327417	194600	206649	293387	158907	235312	314184	251208	337680	216100	291935	196739	225894	316545	245512	215482	281917	296536	312568	150356	246428	218296	226672	246380	155146	263539	265605	846228	244636	303516	394113	385351
PC 17:0; [M+H]+	236473	288992	335967	727646	445228	281253	739762	218092	245725	772188	241134	144988	707652	142168	776147	169189	808654	235766	225559	794574	270480	708251	727518	233470	236930	163834	191380	765162	233277	279027	156575	753165	486811	290751	827989	709471	758346	142942	213216	292940	755994	199482	240703
PC 24:1; [M+Na]+	231040	234433	236782	198462	213313	248669	224380	182763	245725	242076	176370	702776	183471	219595	249678	220336	236829	199735	136000	192130	199689	226960	138657	249899	236930	226786	123274	209504	248247	250631	215451	269562	280367	253254	290835	170891	223273	201063	195201	206799	235828	127341	280791
PC 26:6; [M+Na]+	138882	172741	156098	176272	193788	220863	133905	132395	206362	222960	114249	158391	135060	102578	198755	138352	122421	162063	155321	164319	201613	155741	121753	135068	167722	196323	134064	187054	137974	228375	166033	125428	143317	264143	234606	97540	154495	232185	139339	251588	93623	108432	263319
PC 27:0; [M+H]+	238636	159522	147102	162547	158121	205019	269131	238013	283734	196317	111273	366986	227947	115446	272139	257455	141342	170345	163831	176582	208302	172365	137875	179112	157812	210566	188328	240255	214403	155514	178908	215959	201139	292337	214923	209470	247342	165978	201499	111490	206395	400206	224417
PC 29:0; [M+H]+	156842	242498	764301	724285	246488	219705	175975	299342	311203	239078	227725	356583	167813	146158	208304	371140	757652	184043	286557	170161	142227	279504	208935	229282	183563	231583	212017	137310	728319	261902	158130	164044	296851	283455	287917	249101	747737	186312	183449	214738	213005	241251	745355
PC 29:6; [M+Na]+	143550	252187	287478	251867	232786	237058	256969	341206	228240	220005	272395	153575	209747	189697	228508	251532	184434	207672	119606	286851	241640	235572	257041	153031	189852	198790	269971	256789	200668	149906	192835	889504	264756	185954	187446	290272	333836	916336	212096	200679	131738	175894	198360
PC 31:1; [M+H]+	221529	169481	110806	235824	154725	295805	271569	212045	439195	223105	192536	307966	179510	248283	646157	243744	220815	391072	405641	391092	161041	221931	209741	305396	206554	303400	461795	394945	264616	191174	264130	238166	206218	378555	163117	167665	369001	243369	249042	419978	303609	229332	194319
PC 32:0; PC(16:0/16:0); [M+H]+	6109192	14151058	22171740	5672349	7409221	9694910	15730055	12618752	8133482	14137121	22568638	21495160	27134340	30851150	46224912	9874109	22870868	12784835	11571804	9829591	13537111	14416545	5399933	31724480	12694657	25390204	20815520	23491446	5903798	8196601	9943143	6755590	8609630	16555648	17619418	10625627	9540872	14451925	10293904	40717008	11159141	9505905	13934392
PC 33:1; [M+H]+	612994	1728421	1041162	812872	1316639	934841	1538004	645383	744932	628555	1269208	1149798	644042	62058	539439	1370948	1660522	842799	617064	729343	1123894	563062	1792352	1751013	613508	852442	1286058	934208	569602	992620	778945	748759	824594	673490	1291179	619422	1182418	921828	574084	635864	678135	1265120	648094
PC 33:2; [M+H]+		26813		42327	25142	18059	49557	64780		18131	94478	67547	118250	177575	394094	29363	238590		18598	233207	33095	31183		195054	29872	672618	219468	140236	40512	36984	62879	98364	26909	21530	22826	24131	27531	29050	20858		173798	107528	135437
PC 34:2; PC(16:0/18:2); [M+H]+	87989	2395285	1052030	1281542	46027	2323501	335612	1524643	179993	656697	1094172	236796	724362	845348	734469	256727	558202	538182	275384	1648011	422719	859375	141907	14811143	1325380	904292	1127582	2133911	339454	604809	4393786	279661	216555	206460	52126876	994541	1660499	502081	2238272	699501	1446680	219650	177635
PC 36:4; PC(18:2/18:2); [M+H]+	97735	365030	220836	307310	19957	77890	320077	734073	120019	181641	865887	1341804	1279875	1075582	910513	284514	943170	395260	115063	408182	39351	472147	150450	1265665	224149	790485	652701	1724677	162102	231397	761103	274734	176508	48805	332059	371072	297844	464851	173286	390479	539398	329742	390949
PC 6:0; [M+H]+	116277	234071	176285	387846	135374	506427	289292	217453	448654	208121	122126	190681	223764	146567	156493	237519	239152	238632	198492	254755	128382	247544	269457	185452	110240	80582	309901	188276	227283	152425	463581	249738	298341	310978	189994	101055	118956	156151	302663	206891	132905	210277	220209
PC 6:0; [M+Na]+																									276806	534688				315051			631343										
PC 7:0; [M+H]+														360331						284147				224930		135362						145535	257170		317466	164548			193689				
PC 8:0; [M+H]+		60708	141186	33383	33786	133689	256404	188987		22649	146947	1875423	49466	85390	548374	73945	227625	122370	281317	148285	24965	48440	39696	178443	32842	450852	550898	258853	98588	158484	128143	91531	74960	53925	36938	42220	30278	48401	114439		419524	309615	36404
PC(34:0) [M+H]+		61047	32153			42107	36362	39589	30806		29246	30705	32974	37913	38432	32191	24984	33593		21073	39724	43018					52288	30592	34262	40868	33096	39128	35788		34304		31411		51607	37216			
PC(34:1) [M+H]+	338250	271197	351899	380138	489222	246258	363256	152288	314742	344735	680717	591271	288201	60534	20829	309811	641113	1148997	229511	498462	231464	402829	467658	205102	309172		578955	628778	317402	417244	456695	355014	268047	408388	243211	102967	327182	410991	160435	281140	1267260	147967	321479
PC(34:3) B [M+H]+	365991	263814	375960	258637	332800	347854	301319	255249	208555	394713	192662	231195	174132	182150	263330	263717	289813	266995	320330	515195	310025	231338	236724	248870	293733	334548	233215	185718	1256695	181611	206634	371328	387440	170388	181717	104981	250170	230087	298903	267302	341635	219170	359930
PC(35:1) [M+H]+	44042	53474			37893	60230	41319	30272	47571		35877	37791		51031	36447	43117	43266	46062	36793		48845	62830	34994	42502	46377	36473	40327	23922	41486	41328	58947	42767		49557	26568	44618	43596		45215	36381	46727	69992	
PC(36:1) [M+H]+	37138	129106	152069	92060	96262	67272	145014	169471	98455	137887	205757	152467	124210	133633	285225	98436	113342	168552	164591	170451	64564	391026	48624	137724	71830	179535	276590	189134	97462	75056	106771	170278	113102	118533	148412	237744	72320	49447	74554	71155	128046	163702	156376
PC(36:2) [M+H]+	32438	218316	153854	140077	92221	31772	84213	230962	70737	123108	212672	262714	263886	484178	472623	41438	473035	2463144	160907	544865	52798	106487	75173	381825	43831	310098	432748	523896	71902	52446	238517	164062	102847	163070	227867	32382	39717	411855	183358	22174	1380385	346800	206245
PC(36:3) B [M+H]+	30848	78449	27798	21064	40097	24185	47974	38995		36690	100516		38976	30240	904980	32858	30689		25853	26902	17768	43647	21026	83795	42612	205662	102792	67766	25159	31677	34729	1235442		36675	34207	33026	28241	138311	15191	29480	131747	126036	65844
PC(36:5) D [M+H]+	223371	299640	415342	209484	250697	149219	139008	165374	247440	143157	232477	145478	166491	267363	168525	120851	180035	188129	702159	114064	120191	228885	168188	245468	181953	239101	209678	154090	191843	207828	105729	141007	173275	161083	248329	255650	256704	226133	148387	390666	282645	195932	292019
PC(38:2) [M+H]+				30749	30400			67137			55224		61317	65255	112473	75495	26524	6907812	47456		11959			79695		255957	289798	69643			39175	27611						24622	30558		2945534	87962	54691
PC(38:3) [M+H]+	268106	118996	515516	292373	1142381	283032	467653	547079	950575	529568	69868	544454	636284	611463	245807	438311	329020	1387735	344684	228448	320386	568675	196026	533087	261113	607565	37467	296371	439207	535412	385252	522633	425708	211374	426976	179387	300488	150861	133945	161385	584320	384583	216577
PC(38:4) C [M+H]+																																											
PC(38:5) A [M+H]+	66132	305818	327138	314963	265564	91671	546911	1000428	106340	228817	4360096	1655028	20480	1290402	4803841	126410	1503463	132668	197623	1207683	152324	284871	67069	9594424	97756	2643339	4406078	10420558	230182	219069	2500376	1058363	167813	260357	334325	185964	96739	478035	1061194	444900	1418454	3996125	588457
PC(38:5) B [M+H]+	161700	99924	157006	120240	117018	148635	111750	115461	83827	108271	101483	126214	169263	80813	82236	89128	101454	68173	113463	110229	102227	116279	113424	94966	142039	162309	133949	137868	175879	113443	56735	90004	123820	94497	110513	98049	173369	107167	103937	94011	85257	93203	119413
PC(38:6) B [M+H]+	22320	17590		21140	22572								21199	21109	18921				22031		20916	23204	20656	20680	19663			21556				25489		20681				19999	18682				
PC(40:5) A [M+H]+	79233	74363	90409	100813	111477	116922	117266	98425	180281	97518	127073	97016	109404	138611	76518	90436	104013	120893	113016	127202	101458	138823	141558	137965	115888	68031	144009	98792	124021	163675	109832	106319	108831	112481	91296	153883	149566	156481	130754	116185	138653	117187	110257
PC(40:6)B [M+H]+	1147980	2467886	1099495	1645115	1538610	1560976	1697406	931880	1113338	973868	1276868	1355066	1430356	1439952	1372000	1577226	1087648	1155620	1820853	2131640	1001613	1294684	1401492	1265185	908169	1435519	1073377	1099881	1578406	1429706	1277375	1363563	1149417	1366285	1518006	903802	1070539	1633404	1267578	1128546	1376863	1096332	2090547
PC(40:7) B [M+H]+		33644		49193				62470			71253	546081		155072	114077		226055				14863			92031		300985		210370	34144		67063					55390		48644	101099		528397	1220483	47749
PC(o-34:0) [M+H]+	93028	115348	406495	163015	137691	90824	672722	2459889	182474	225829	4480639	1286220	822041	1538488	5403471	416823	1359956	522132	304591	1717402	140153	483896	80141	6397626	81709	3538911	3123524	11734578	257977	72014	10712295	648496	374083	525244	140320	258621	133217	464611	379391	369161	729090	1791401	439400
PC(p-38:3)/PC(o-38:4) B [M+H]+	53935	109399		64901	38190	29112	228428	296347		223158	787588	2423065	462583	389653	866637		1075917		90098	283910	21690	52106	24902	1166284	68448	857052	1136038	1253463	49785	42958	930248	521598	37240	481644	43715		86399	266803	306215	50127	226950	615229	91590
PE 33:1; PE(16:0/17:1); [M+H]+	52933	520134	697867	121983	52236	247668	465788	347306	262560	538003	250931	131356	347855	201476	70641	38802	79659	819988	420898	368238	151470	164078	128041	851740	149667	300339	93072	212132	158581	63785	212937	58686	270502	275619	1336233	48781	55097	99290	52371	157437	192230	21168	63721
PE 35:0; [M+Na]+	23730	82571		32765	40931	4285897	50671	89065		33287	65538	119220	126915	165508	670837	63114	339905	804550	29556	90158	41084	24192	27221	314456	14298	1454983	97061	531101	42664	28006	85067	230681	35654		39447			71848	48887	92130	1066051	214115	105838
PE 35:1; PE(16:0/19:1); [M+H]+	107039	1850592	474566	131895	55509	127371	237522	688198	156897424	176923	1032428	374702	519761	562560	28427584	186125	475107	270061	216426	191745	190768	421571	219308	557542	159675	421522	419724	1056212	466023	348448	218415	427644	361862	728741	349150	257867	113294	135860	267817	178062	305988	606760	259539
PE 36:1; PE(18:0/18:1); [M+H]+	371126	1081358	840931	778051	324376	689524	722004	1253280	124273	872764	1258543	693495	1001998	1351240	2124157	418106	677077	530855	1469589	1122690	753076	1199325	416293	939315	599311	1373059	808223	545587	852915	858030	182320	139792	851949	625054	2278181	307056	278897	762299	420283	941639	295948	1118638	824546
PE 36:2; [M+Na]+	272762	216220	159777	299018	164225	121813	232295	156666	182289	127138	135498	239081	182398	207572	266295	241530	126392	215862	123123	155491	186116	186341	271033	150875	182988	118763	317635	149113	160667	171664	235122	249030	121251	247721	236593	172105	221008	157092	280139	143022	100219	202761	133141
PE 36:3; [M+Na]+	16133	17209	23418	18497				44607		18428	41917	30132	43159	37341	48620		27480			48755	15703	18747		90658		62303	102458	52178	16256		26304	64967		17208	20569					25067	32005	40506	27968
PE 36:4; [M+Na]+	46192	270702		201078	92497	126903	79139	203862	127847	56746	1018444	148276	326590	337912	997077		1075768	95616	99365	355087	34213	102042	20312	1963477	86747	618467	841096	774970	34687	60189	183074	296177		68710	22784	69153	110212	143051	178616	205406	471595	492940	298900
PE 37:1; [M+Na]+		25781	32930	42640	21683	28543	130219	59217		28960	100660	184179	92809	201576	105116		70489	182073	22239	54574		31485	15894	190073	16232	195217	309565	111880	24226		50252	114639	22371	29163	14423			39525	22953	41253	292402	168699	74069
PE 4:0; [M+Na]+					24194			13402		20131			62027			27355		81991					20283	264467		62994											13881	41872					
PE 6:0; [M+H]+	16110			17388	13372	14319								21403	28091					27399			15728		15395	20555	47553			21030		23461		33808								19957	18303
PE(34:2)[M+H]+	352489	490326	522858	1292977	1170371	788210	540081	555636	1220412	1046122	1219946	652308	572446	419228	1767912	634451	320473	541260	404108	558841	493531	366221	842703	470519	397832	531595	1182908	1251210	623083	473565	1592705	569758	662096	921092	518307	314280	542315	409988	768443	392792	258626	518813	840606
PE(36:4)[M+H]+	230602	417424	308626	119319	219871	336023	268395	376972	534391	461517	316955	464203	435415	514218	149866	348478	443886	271150	237372	288801	103842	413354	370030	316899	340359	111679	374616	323360	313183	316475	444648	475246	382717	551123	424965	326267	339706	454183	290148	333257	395082	402674	392501
PE(38:4)[M+H]+	70030	180651	61115	259635	43940	35853	203982	755870		144035	459638	672672	102331	421748	608449	66020	3201088	51078	109390	764200	49883	43108	93549	1802783	33962	1355608	1048282	703947	16909	106292	594129	281003	57618	33199	95571	169674	78943	383944	346674	221520	594320	1053096	368416
PE(38:6)[M+H]+	66685	875909	1725724	21994	400179	746284	305849	73115	491395	673551	102400	105608	296093	215299	67967	50352	75398	856349	809014	28880	1182441	863673	95806	73234	341612	146283	105262	75272	403281	122082		171588	754364	5345840	1782636	91883		301526	35336	47303	92372	75049	78714
PE(p-34:1)/PE(o-34:2) [M+H]+	210989	379092	257540	477071	326329	239477	749209	81467	233820	265125	1698553	2229913	123831	2288240	3147683	357263	2056281	139759	322950	1606014	136540	882865	214011	130221	239594	2958487	3613414	2769385	193535	286081	1812148	1839710	168674	496987	360748	415860	332927	746820	594594	197877	1797135	2265036	163384
PE(p-36:2)/PE(o-36:3) [M+H]+	487216	705261	1200566	1295569	720676	579401	1276104	525663	1105963	751584	1359843	1312940	674442	1267707	1307291	561000	443332	1192715	408826	432367	1207090	1309709	644982	1202109	607887	690958	611444	1330009	601493	1280510	1226739	466082	652853	901397	1214753	1410368	557373	1226806	494799	627097	1315797	521896	1302336
PE(p-36:4)/PE(o-36:5) [M+H]+	165748	312807	227933	189234	116206	153270	368425	768422		119187	1323305	1424665	690662	1269766	2557795	154568	1067648	151586	117354	1007043	122035	344490	97165	2120818	142545	1910649	2843502	1881873	191980	153927	1720854	1265078	96407	106819	160948	138178	112395	284953	312136	145896	746569	1551190	635495
PE(p-38:4)/PE(o-38:5) [M+H]+	18745	161157		34286		22558	63441			24058	59115		56591				23694	127394	21534			20508	24580		12647		43608		24670	26031	67086	54437		61710	456708			58286	21891				22744
PG 33:1; PG(16:0/17:1); [M+NH4]+	205779	236139	341236	223192	57648	277559	138138	544945	271127	120627	207643	98248	349588	545570	354285	247143	448469	163207	576433	410502	207029	108742	96760	319185	720746	867529	372040	531647	189687	85490	19292	159974	134829	35061	593716	168851	1019337	631941	181463	158941	73197	200793	421098
PG 34:0; PG(17:0/17:0); [M+NH4]+	701768	6810834	4872102	1210269	197862	1402927	526149	1526001	2735534	1750229	3283305	9868880	1718951	7495090	5988017	285841	5561930	571688	9458931	786749	1668048	19960518	335980	389439	1570300	820947	3184084	1864490	1884052	376877	1914329	8048652	2402478	2531668	5954935	2512676	980906	1076660	945425	118636	3167282	6231684	983546
plasmenyl-PC 33:0; [M+Na]+	75201	171027	71859	59833	58828	33191	91268	64850	63344	66808	111340	61757	81563	92973	71380	99689	58376	66689	31501	76686	28976	73043	62078	69960	319691	77944	57374	79703	67870	83916	78154	75777	65931	68858	56948	80847	88885	122758	76433	60453	56501	68358	59970
plasmenyl-PC 36:1; [M+H]+	147308	411006	188890	109258	115260	81764	60058	123478	87702	64639	115859	126559	108851	97352	131568	59560	87420	211946	354173	119453	82537	74630	84774	122313	108473	116680	105348	106625	93969	98857	136804	78142	89167	393905	241195	242626	313065	116868	90470	137350	78446	257789	310820
plasmenyl-PE 37:0; [M+Na]+	103346	144195	151953	153374	164725	138267	189893	139285	163197	96414	186028	147114	125443	132098	150059	132988	114959	122442	130326	133298	106342	158080	94489	121984	955826	139942	135376	178310	135426	213127	135845	167764	245449	153993	86533	168593	113436	168527	118031	154340	177876	191119	136047
PS 19:1; [M+H]+	215280	228225	355857	212963	251025	184941	226639	164758	259956	199493	120824	195625	146192	219932	141138	211273	230320	187288	260138	159879	192087	208811	277565	217205	213188	119783	177769	230477	190081	162307	171326	186899	233932	139137	255262	157895	1273362	203654	221328	170022	163442	193268	203932
PS 21:0; [M+H]+			40712										36240										31098		22444			30737														33880	26465
PS 6:0; [M+Na]+	198113	239729	179318	242443	293599	243204	246431	227299	209027	161632	273702	220728	189552	139586	195036	179355	219443	191857	219731	126042	195974	254876	130948	181273	229619	241266	1131128	163289	237027	229102	207810	280380	182547	190387	182923	138429	1191410	209349	105919	153164	194324	223886	260713
SM 24:0; [M]+	6338522	1376250	1922314	1565337	3917028	664753	1252709	1602627	3436390	1557954	1757975	1790078	1821202	1996158	1330584	1526455	1747692	1551171	1354755	1472617	1246637	1674129	1171539	1703257	1402858	2210187	2149176	2449941	1742839	1821640	1670765	2224250	1588320	1789840	1806338	1219553	1137752	1374402	1193936	1325492	2426097	1597189	1503930
SM d34:1; SM(d14:1/20:0); [M+H]+	22367912	20034740	16497667	16855224	19145532	15896675	23693752	14142209	24521076	22200810	22132758	16164072	22938328	18919860	11013243	19017468	21851814	21673204	24661264	32580390	25255412	10379914	32581164	36834328	21039700	29210054	16187848	25876052	32977882	35090392	19477858	21154176	30782190	20176762	53255508	21339168	12975725	19198518	31313046	25921288	27301826	26247706	29584994
SM d42:1; SM(d14:1/28:0); [M+H]+	2299369	3402343	2364828	1468312	1493855	1979294	4020180	3324060	3378462	1300660	4208949	2567571	1834203	3739974	7240258	1972994	1366772	2915206	3283209	1458840	4134602	990871	1495442	902162	904298	2533247	2637737	1838241	1705813	3648671	1696784	2373920	2312429	3953929	2849834	1880510	1654172	1304730	860180	1434454	571132	4398341	1529935
SM(d38:1) [M+H]+	18312	30857	32727	29227		16484	20081	53429	56309		22534	59654	32393	20523	37600	31248	288898	45143	15899	37664	24231	13330	17637	73484	19815	84374	60446	57304	21217	12225	68528	17827	464906	22238	18766		40238	24759	17004	19054	83114	26068	17329
SM(d40:1) [M+H]+	53454	85865	64476	83583	92226	60740	75373	101113	78160	55300	51246	65001	122788	66883	77756	57158	41366	94028	71587	46080	53002	110460	66563	45228	70326	82197	60352	39651	46389	111544	55927	79717	83185	57671	64106	39779	369153	716980	61945	54663	40053	41393	52240
SM(d40:2) B [M+H]+	150818	138798	339054	183111	250452	198092	242253	235847	1257708	185058	273694	1244696	270849	238647	373540	290729	317909	373274	249095	425030	84948	2182114	175083	242686	219158	284188	297953	301603	255859	180479	199143	443359	207345	228597	190973	418082	216898	230471	169203	144228	1287129	229090	153446
SM(d41:1) [M+H]+	479780	139954	411467	323954	548492	471828	538812	357243	188054	319430	280436	197091	384533	265530	246897	297087	321580	405643	283514	393795	175901	204302	413091	492741	323287	61604	671640	315616	716795	326517	374823	351857	369258	495857	293794	458082	775565	571258	170348	520669	207320	304920	339413
SM(d42:1) [M+H]+	100385	81918	111958	107547	80151	226247	78184	79455	106285	95133	85660	78558	118411	42193	108981	88068	117410	101789	92861	185968	92790	91816	97513		195977	101186	88224	72391	66699	111030	87107	52936	107911	52156	125973	212567	95056	49584	59319	56841	61525	109758	84119
SM(d42:2) [M+H]+	245011	109302	221683	111673	209406	201364	246933	205095	137574	196049	130194	120863	179958	140040	142312	110790	258620	211680	121295	156940	114313	116821	224114	219094	143507	134658	327279	159500	275587	171066	141078	224485	197600	204615	117279	289884	380769	282503	74794	241060	117227	141041	130883
SM(d42:3) [M+H]+	246184	297069	291023	209484	314586	144699	139008	125169	378005	139691	459664	661641	199316	275959	205985	75708	262151	174355	211086	159103	127930	256516	154917	255342	163229	342245	254475	149882	255756	224838	127844	266305	213372	187017	343910	261826	231465	226133	126118	607594	381694	292111	170928
TG 46:1; TG(14:0/16:0/16:1); [M+Na]+	339193	296935	663167	204692	163257	545944	518306	408082	362263	141311	310020	486946	195415	240746	362871	202264	192642	214341	181826	311826	207441	3487210	420238	239487	304728	315784	500743	329432	454204	160495	331772	424570	236308	168340	291548	323550	123937	293185	354590	769843	427262	241077	204128
TG 46:2; [M+NH4]+								58887				315084	192466	233729	795398		319467		56871					186191		174452	206343	408357	26577		178520	162156					50752				255716	144635	
TG 48:1; TG(16:0/16:0/16:1); [M+Na]+	2376380	9701688	4339140	1605559	1094302	5835138	10277786	6882413	2934347	3542986	15682372	2284154	4343204	23316146	6395214	2798030	2090949	3984088	3248070	2873723	4415066	6819422	4195695	7478098	1006812	8823004	4826930	12107444	6180622	6958028	9559184	3848916	3242838	12971110	3417713	6311217	3463510	4517318	1120660	4343741	1145716	5971104	3610378
TG 48:2; TG(16:0/16:1/16:1); [M+Na]+	5473960	37578564	5960371	16416420	1781207	5421996	66374664	203826	8090288	44739492	5514192	6668338	9730000	46586524	119826272	9060967	37334624	6659440	9511770	11941939	54521640	12212595	6718516	17790282	27882446	28933508	15271042	50230240	2846878	1521976	1442420	7013107	5300741	10590759	19457284	33076222	16371387	13641492	6886004	4416858	9941240	13682426	18539544
TG 50:2; TG(16:0/16:1/18:1); [M+Na]+	187933	183429	160680	151945	146951	105284	141135	133862	589256	99653	86222	183629	124994	184735	148886	340186	134517	209507	127935	138592	140011	230226	373011	197754	125613	155048	111412	145458	114664	242727	147757	117680	173897	79003	134378	207257	174654	150951	135989	183979	95167	249665	146947
TG 50:3; TG(16:0/16:1/18:2); [M+Na]+	124376	328029	499082	122904	65540	417398	672173	558530	633429	218201	480949	542282	768553	1651364	478248	217053	369820	352919	209226	177978	156483	441833	42805	346028	273496	945683	407560	446329	304362	283842	352991	441127	142390	573198	338696	165306	204828	158117	159663	135227	223083	450327	651854
TG 52:3; TG(16:0/18:1/18:2); [M+Na]+	248577	2430913	2305753	2250190	987799	485773	1220119	3548590	1357654	510363	2958830	522931	2463495	1305406	3363936	2184747	11974606	2448415	3490382	1998691	2987062	4877752	4022654	3246641	1538890	1467610	1296331	2555294	923747	1578384	716840	1694028	1013424	1064477	2046705	912022	545108	1232577	459864	3873617	743510	1548536	999375
TG 52:4; TG(16:0/18:2/18:2); [M+Na]+	62055	94182	171904	209659	14574	74759	125784	373081	1346523	112375	304625	185693	393043	222709	929051	72574	1130620	166946	1626087	181921	4414992	360545	128240	142227	108937	340987	5140050	441395	119489	115691	96646	71339	149844	147179	16036698	140060	283862	1738806	35486	37358	7374253	269683	426628
TG 54:4; TG(18:1/18:1/18:2); [M+Na]+	297062	1805575	815497	552923	51372	379056	1012302	1830393	455860	644093	909714	1549311	2273739	1477066	1934622	298820	1400840	1233596	1096369	1471352	2355640	1054898	349692	1914545	896436	1476398	16542534	1765492	352953	1086438	596003	421717	266484	681654	3255000	718523	455560	1201209	1898332	749045	1133608	1298134	694750
TG 54:5; [M+NH4]+	93625	20783		18160	17974	18686	14750	22258					16728	24581	140851	30462			38571	18424	21693	131816	16455		17520		27902					17970									86615		
TG 54:5; TG(18:1/18:2/18:2); [M+Na]+	774501	2718892	466098	851032	213585	1720841	1739854	4367510	334252	1923552	2718815	1772165	1025153	3283207	5057294	772468	3124626	1152677	1858262	1160070	2240793	1606865	391741	1511666	819458	3062791	2150978	2671792	1652237	3306139	2836020	3534752	1480910	2200746	3837014	1438455	152598	2429076	380735	3589622	1233443	2157315	1423117
TG 54:6; TG(18:2/18:2/18:2); [M+Na]+	167524	694042	850541	402695	58216	273505	505188	576676	212143	407070	671748	969412	1445069	891401	1460729	154753	232074	251240	282634	938689	455776	628601	337694	656890	265199	13952441	610724	1255015	918151	358040	219087	234617	950391	913050	525304	195995	186135	1099049	659360	224871	2797825	808122	344476
TG 58:4; [M+NH4]+	37246	66191	42944	107392	40458	58828	40213	39891	41591	43685	73148	92790	69619	27603	56089	47598	41739	177866	47919	43315	43682	34679	81865	54814	56641	49409	41201	61963	40931	38154	33890	71331	78859	67175	39384	38940	37323	34651	57745	52566	126265	41295	57828
TG 60:4; [M+NH4]+	43299	51858	49167	68627	39265	41653	24974	55645	82095	52090	62606	80337	33860	47607	40165		42684	100172	34975	55104	89004	46591	75803	33467	45325	49400	37938	67011	38227	50104	69872	62820	42814	69076	53022	34964	32689	33794	54750	67249	146390	39435	65320
TG(48:0) [M+Na]+	307264	393288	234682	80188	295384	615715	767117	488206	135813	180486	637655	497868	43774	788132	297359	64687	46060	58658	707928	74010	363805	390238	65458	54017	406246	388756	585844	67869	107352	601848	455350	411220	112147	77833	651816	335642	211897	408750	297775	421570	463926	588206	769314
TG(48:1) [M+K]+	145540	131416	172655	119883	172096	191954	404337	122675	146163	158841	406273	106456	132157	211605	127476	156771	151204	180008	126517	171919	146266	155427	177357	122680	176157	173542	165983	144257	147382	207734	135325	166703	133997	247360	126218	152470	136455	138497	176240	102765	172534	131164	96094
TG(49:0) [M+Na]+	452671	132816	331021	239356	303039	391220	555175	382021	278802	325326	277961	169342	280123	264865	241286	210728	476642	431185	230550	292273	142969	192747	390714	404596	255257	144376	725283	262526	538705	305953	319589	342980	386256	385216	244793	579422	945737	585216	125968	521404	186701	261423	322634
TG(49:1) [M+Na]+	152364	219066	151287	28369	108818	79127	509618				45052	335457		522390	653071		34140	229862	5076266	75828	149075	3397372	42235	492628	154617	1654644	153857	107721	1661445	276753	77309			111294	146999		21094	71791	615881	72540		241527	
TG(50:0) [M+Na]+	34357	30110		32860	26446		31284	43598	50546	29223	29520	49476	26563	35246	25946	40132	38396	37853	38435	38694	33099	39692	79633	37666	25259	37138	38365		34322	37717	25718		29319	47055	27174	22229	27774	37010	37701		43705	32817	29837
TG(50:1) [M+Na]+	20460	34996	30160	155319	68670	109317	60197	55567	77492	85514	34725	88191	68167	68324	51948	57812	99465	437219	52321	26506	27850	22077	65076	277554	54072	678445	286960	139571	117501	63692	114553	33318	34715	23354	61541	22161	18350	112301	42313	31142	280293	230045	134521
TG(51:1) [M+NH4]+	37920	112730	262173	37798	31322	38455	27926	25014		26241	59107	115923	52494	32876	276990	31615	23630	26339	50528		24047	188821	33079	29511	65394	247041	35159	17852	65089	56748	86094	32334	30144	57350	70838	64359	66234		42464		32969	57653	89976
TG(51:2) [M+Na]+			204750															265596					50895				27834																
TG(52:0) [M+Na]+	27546	108321						98722			97111		37674		19080		14170	87677				32625	20766	46658	15799				25970			483720		30223			84335						
TG(52:1) [M+Na]+	204858	180801	272605	121541	413242	128012	394018	162892	605808	188876	152533	271106	351978	315361	141074	159604	140002	275142	191515	356155	207412	506165	73370	299302	292096	256542	175639	164175	254188	191942	106631	353812	1018839	281588	412155	184729	127529	102739	179718	222056	60689	380569	118193
TG(52:2) [M+Na]+											103395	48080		34780				32057	78023					27261		30643	47882	30961				24537	204775	101047							40465		26955
TG(53:1) [M+NH4]+	30721		21973	19837	19507	17007	14665	18465	18111	15358	19551	10828	20058	18837	14273	14357		15878	12040	18718	16390	16079		16995	18538		15033	20097	16818	22571	14612		15587		12535				20132		16929		17586
TG(53:2) [M+Na]+	105995	141602	150201	49458	74364	36852	225203	149560	138037	64306	135583	117847	115491	164522	128598	143990	191876	206077	150767	177990	67404	189144	80922	158280	78614	167078	218243	257748	169565	56690	174695	176194	67850	102903	94368	154622	171841	177786	100556	150087	179795	154810	104693
TG(53:3) [M+Na]+	26042	26320	46257	58881	27480	19286	86547	99850	40850	51030	81608	46930	82092	76873	123417	26568	88717	55867	58032	88630	28428	341237	29598	98233	21664	79357	68441	87756	34397	47102	90218	69804	50663	59535	53024	36212	22913	28826	26011	60469	84450	77718	57189
TG(54:0) [M+NH4]+																		52228														67431		46578	45980								
TG(54:1) [M+Na]+	699317	1228967	265192	700377	259999	388627	2429909	1307201		268359	2046534	1294065	1286577	2499294	1081802	161089	3660888	338514	1221824	6639625	518309	961098	359391	1392110	236995	1273718	2070186	1839102	1120212	700527	1142244	2172245	88231	394576	83686	683543	62135	2962115	827322	793216	404059	1791088	1611086
TG(54:2) [M+Na]+	45955	142005	33433	109147	69018	19488	214628	123530		73764	139943	43943	174553	143141	48356		188418	45464	34212	294459		117095	18193	87941	53596	45142	89909	100662	112062	22241	133527	258249	33155	34123	32144	55265		268421	35843	96330	29621	120254	48799
TG(54:3) [M+NH4]+	21792	24432		28273	31256	18691	28030	37172		20002	37951	44847		84455	163945		38939		16400	37476	15705	19520	18449	60279	16852	323743	81613	57920	13055	12907	22467	44832	23611	40679	20517				21558		99159	60492	28225
TG(54:5) A [M+Na]+	373208	211044	480973	459039	443678	373422	414465	315667	448922	302486	483526	543841	262005	400812	250602	358858	375723	420112	249691	221850	292300	382398	416662	477455	226819	215809	292844	241855	379111	385346	335181	254080	536662	316467	375076	216469	236126	285339	352871	335864	624684	398736	526170
TG(54:6) A [M+Na]+	5977739	2992239	10951492	5879018	24025016	6085610	9978030	10101260	21357264	11668698	1629724	13484501	12373140	13072268	4787670	8503807	7141219	16053755	7290464	3974071	6913228	11391127	4192621	10065603	6150569	8920289	4136965	5119226	9089567	11725497	5524738	9264134	9037865	4765958	9004286	4684852	7007912	3443248	2454206	3697550	5973410	7919198	4480588
TG(56:1) [M+NH4]+																		417514	17030							41120															247166		
TG(56:2) [M+NH4]+	21636		111464	204437	147261	184381	123347	270699	206202	77399	153391	100514	132483	254221	100882	44304	94756	93339	20926	103648	233988	11125	107832	144375	149626	166309	285089	240447	36930	154997	119910	52184	220393	71856	83451	31268	38889	94718	53078	362448	218053	28395	89664
TG(56:3) [M+NH4]+							43397	40380		71567				39589				239340					14955											23996	23370						322863		
TG(56:5) C [M+Na]+	169803	173279	205153	177772	150046	170468	172955	137726	261708	337486	164738	208620	146942	261660	183234	234398	122539	186758	186131	174946	114895	291531	171337	199215	134254	139009	214941	109403	125666	137340	234429	239205	161224	158732	180441	171515	124831	81773	170889	218285	171457	160156	142715
TG(57:1) [M+NH4]+	45846	55338		42749	36203	39172	34798		33714	43850	49254		52076	37111	38749	44954		48911	46832	47947	35225	32257		32171	43507	32352	41397	36653	41216	43116	49808	35736	38198		38422	43850	45331	39674	54597			31160	45928
TG(57:2) [M+NH4]+	431013	179956	380165	258919	455049	360996	462785	359926	180257	347161	270238	174430	347279	245728	209573	234681	308638	401812	237569	270740	188198	257096	395673	393945	370497	42068	767040	299931	525819	337094	291403	423108	383485	374387	254451	446844	831074	628088	161075	568816	222709	281729	299111
TG(58:1) [M+NH4]+	215120	41865	221975	110938	209385	213962	295931	246340	114241	122675	88595	74821	136520	110201	101056	82657	250737	265889	92168	193019	45163	113321	212728	262326	193986	45100	362541	105594	270816	223324	219625	235475	202002	228427	161505	307348	430063	315084	53428	278379	89764	130719	177817
TG(59:2) [M+NH4]+	187075	261748	403669	392553	131761	133931	434959	1668020		214089	1523450	2236485	889272	1303155	4768497	79939	2021822	141438	517341	1010413	351769	744249	210261	6858251	208246	2817183	2264945	2551638	155884	280261	2129095	975240	344819	956678	336875	63682	420328	356305	535218	397224	1967189	1150363	546022
TG(60:2) [M+NH4]+	39032	50710	47455	43117	53026	54172	41505	46056	44076	38584	49761	45752	49085	50804	53008	45525	48641			126708	33140	69051		48014	30796	26903	39890			64444	65665	46753	53556		46873	62711	54944	25146	45635	28829	34881	78949	47988
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	RTimes (min)	m/z
AC 11:0; [M]+	0.65	330.2619
AC 11:1; [M]+	0.61	328.2482
AC 12:2; [M]+	0.61	340.2482
AC 12:3; [M]+	0.55	338.2325
AC 13:0; [M]+	0.97	358.2953
AC 13:1; [M]+	0.82	356.2796
AC 14:0; [M]+	1.25	372.3107
AC 14:1; [M]+	1.04	370.2952
AC 14:3; [M]+	0.67	366.2639
AC 16:3; [M]+	0.98	394.2953
AC 16:4; [M]+	0.77	392.2791
AC 18:0; [M]+	2.37	428.3737
AC 19:5; [M]+	0.59	432.312
AC 5:0; [M]+	0.58	246.172
AC 9:0; [M]+	0.53	302.2326
AC(10:0) [M+H]+	0.59	316.2482
AC(10:1) [M+H]+	0.55	314.2325
AC(12:0) [M+H]+	0.83	344.2794
AC(14:2) [M+H]+	0.79	368.2802
AC(8:0) [M+H]+	0.58	288.2198
CE(16:1) [M+Na]+	11.55	645.5585
CE(18:1) [M+Na]+	11.95	673.5895
CE(18:2) [M+Na]+	11.58	671.5739
CerP 16:0; [M+H]+	8.88	642.5825
CerP 18:0; [M+H]+	5.75	735.5175
CerP 20:0; [M+H]+	1.49	806.826
CerP 20:1; [M+H]+	8.03	800.6541
CerP 21:1; [M+H]+	11.92	856.744
Cholesterol [M+H-H2O]+	5.76	369.3516
DG 17:0; [M+NH4]+	0.74	671.2888
DG 32:4; [M+NH4]+	11.19	898.7845
DG 34:1; [M+NH4]+	11.04	927.7408
DG 38:2; [M+NH4]+	4.93	979.7606
DG 38:4; [M+NH4]+	11.9	972.8946
DG 40:3; [M+NH4]+	11.57	984.8948
DG 43:4; [M+NH4]+	6.69	993.4564
EtherPC 32:0e; PC(14:0e/18:0); [M+H]+	7.16	720.5904
EtherPC 34:1e; PC(14:0e/20:1); [M+H]+	7.21	746.6058
EtherPE 36:2e; PE(18:0e/18:2); [M+H]+	7.93	730.574
lysoPC 10:0; [M+H]+	10.96	773.6628
lysoPC 10:0; [M+Na]+	6.03	847.5303
lysoPC 22:2; [M+Na]+	10.8	917.6982
lysoPC 3:0; [M+H]+	0.57	501.2624
lysoPC 3:0; [M+Na]+	0.56	553.2929
lysoPC 5:0; [M+H]+	3.35	567.3828
lysoPC 7:0; [M+H]+	4.83	651.4228
lysoPC 8:0; [M+H]+	9.56	699.5956
LysoPE 17:1; [M+H]+	1.5	466.293
lysoPE 21:0; [M+H]+	0.56	873.29
lysoPE 4:0; [M+Na]+	6.54	490.4255
MG 14:1; [M+NH4]+	3.65	516.4258
MG 15:0; [M+NH4]+	0.54	550.218
MG 15:1; [M+NH4]+	4.38	545.4604
MG 17:0; [M+NH4]+	5.08	624.2729
MG 18:0; [M+NH4]+	9.74	674.6418
MG 18:1; [M+NH4]+	6.23	666.6031
MG 18:3; [M+NH4]+	9.75	652.6617
MG 19:0; [M+NH4]+	7.25	720.59
MG 20:0; [M+NH4]+	3.35	758.2189
MG 20:1; [M+NH4]+	12.26	751.7075
MG 20:2; [M+NH4]+	4.85	747.4803
MG 20:4; [M+NH4]+	1.23	736.8064
MG 21:0; [M+NH4]+	6.76	788.6069
MG 22:1; [M+NH4]+	11.34	829.6677
MG 22:2; [M+NH4]+	10.67	823.6777
MG 22:4; [M+NH4]+	6.71	808.5828
MG 22:5; [M+NH4]+	11.74	800.7114
MG 3:0; [M+NH4]+	5.04	356.9095
PA 23:1; [M+Na2-H]+	9.1	896.7153
PA 26:1; [M+Na]+	10.92	903.7246
PA 27:4; [M+Na2-H]+	8.95	933.2704
PA 28:3; [M+Na2-H]+	0.7	952.9576
PA 29:6; [M+Na2-H]+	4.93	960.7516
PA 41:5; [M+Na2-H]+	11.98	1078.749
PA 46:0; [M+Na]+	12.23	1093.0406
PA 6:0; [M+Na]+	0.56	489.2282
PA 7:0; [M+Na]+	1.19	520.8942
PA 8:0; [M+Na]+	3.53	551.2501
PC 10:0; [M+H]+	8.17	814.6865
PC 17:0; [M+H]+	12.09	872.8483
PC 24:1; [M+Na]+	10.47	964.8115
PC 26:6; [M+Na]+	7.92	972.734
PC 27:0; [M+H]+	12.07	974.91
PC 29:0; [M+H]+	11.19	982.8787
PC 29:6; [M+Na]+	11.89	986.9102
PC 31:1; [M+H]+	0.98	990.4841
PC 32:0; PC(16:0/16:0); [M+H]+	6.67	734.5698
PC 33:1; [M+H]+	11.98	1010.7637
PC 33:2; [M+H]+	9.42	1007.2892
PC 34:2; PC(16:0/18:2); [M+H]+	6.1	758.5698
PC 36:4; PC(18:2/18:2); [M+H]+	5.96	782.5692
PC 6:0; [M+H]+	0.53	651.3601
PC 6:0; [M+Na]+	12.25	725.0516
PC 7:0; [M+H]+	0.77	699.3635
PC 8:0; [M+H]+	6.72	740.5217
PC(34:0) [M+H]+	7.4	762.6002
PC(34:1) [M+H]+	6.68	760.5853
PC(34:3) B [M+H]+	5.43	756.5535
PC(35:1) [M+H]+	7.07	774.603
PC(36:1) [M+H]+	7.5	788.6163
PC(36:2) [M+H]+	6.71	786.6009
PC(36:3) B [M+H]+	6.15	784.5854
PC(36:5) D [M+H]+	5.46	780.5534
PC(38:2) [M+H]+	7.49	814.6324
PC(38:3) [M+H]+	7.05	812.6169
PC(38:4) C [M+H]+	6.69	810.6005
PC(38:5) A [M+H]+	6	808.585
PC(38:5) B [M+H]+	6.18	808.5652
PC(38:6) B [M+H]+	5.74	806.5693
PC(40:5) A [M+H]+	6.7	836.617
PC(40:6)B [M+H]+	6.5	834.6008
PC(40:7) B [M+H]+	5.77	832.5849
PC(o-34:0) [M+H]+	7.92	748.622
PC(p-38:3)/PC(o-38:4) B [M+H]+	7.2	796.6207
PE 33:1; PE(16:0/17:1); [M+H]+	6.55	704.5229
PE 35:0; [M+Na]+	12.37	1016.9574
PE 35:1; PE(16:0/19:1); [M+H]+	7.28	732.5539
PE 36:1; PE(18:0/18:1); [M+H]+	7.56	746.5702
PE 36:2; [M+Na]+	9.86	1054.2963
PE 36:3; [M+Na]+	7.5	1026.4368
PE 36:4; [M+Na]+	8.01	1026.1937
PE 37:1; [M+Na]+	3.44	1071.8402
PE 4:0; [M+Na]+	0.55	522.3536
PE 6:0; [M+H]+	0.64	536.9177
PE(34:2)[M+H]+	6.2	716.5225
PE(36:4)[M+H]+	6.08	740.5225
PE(38:4)[M+H]+	6.84	768.5508
PE(38:6)[M+H]+	5.87	764.5223
PE(p-34:1)/PE(o-34:2) [M+H]+	7.2	702.5433
PE(p-36:2)/PE(o-36:3) [M+H]+	7.35	728.5585
PE(p-36:4)/PE(o-36:5) [M+H]+	6.43	724.5281
PE(p-38:4)/PE(o-38:5) [M+H]+	7.2	752.5596
PG 33:1; PG(16:0/17:1); [M+NH4]+	5.75	752.5438
PG 34:0; PG(17:0/17:0); [M+NH4]+	6.67	768.575
plasmenyl-PC 33:0; [M+Na]+	0.57	1015.5986
plasmenyl-PC 36:1; [M+H]+	1.18	1064.7616
plasmenyl-PE 37:0; [M+Na]+	11.75	1055.7885
PS 19:1; [M+H]+	0.95	886.7451
PS 21:0; [M+H]+	10.47	901.647
PS 6:0; [M+Na]+	1.22	729.8538
SM 24:0; [M]+	10.8	896.7655
SM d34:1; SM(d14:1/20:0); [M+H]+	5.89	703.575
SM d42:1; SM(d14:1/28:0); [M+H]+	8.85	815.7006
SM(d38:1) [M+H]+	7.39	759.6371
SM(d40:1) [M+H]+	8.22	787.669
SM(d40:2) B [M+H]+	7.48	785.6535
SM(d41:1) [M+H]+	8.51	801.684
SM(d42:1) [M+H]+	8.91	815.7001
SM(d42:2) [M+H]+	8.09	813.6843
SM(d42:3) [M+H]+	7.48	811.6685
TG 46:1; TG(14:0/16:0/16:1); [M+Na]+	11.12	799.6783
TG 46:2; [M+NH4]+	7.06	1074.3064
TG 48:1; TG(16:0/16:0/16:1); [M+Na]+	11.53	827.71
TG 48:2; TG(16:0/16:1/16:1); [M+Na]+	11.18	825.6944
TG 50:2; TG(16:0/16:1/18:1); [M+Na]+	11.54	853.7259
TG 50:3; TG(16:0/16:1/18:2); [M+Na]+	11.13	851.7095
TG 52:3; TG(16:0/18:1/18:2); [M+Na]+	11.55	879.7412
TG 52:4; TG(16:0/18:2/18:2); [M+Na]+	11.18	877.7249
TG 54:4; TG(18:1/18:1/18:2); [M+Na]+	11.55	905.7569
TG 54:5; [M+NH4]+	12.27	1094.0349
TG 54:5; TG(18:1/18:2/18:2); [M+Na]+	11.19	903.7405
TG 54:6; TG(18:2/18:2/18:2); [M+Na]+	10.8	901.7237
TG 58:4; [M+NH4]+	7.49	1124.2899
TG 60:4; [M+NH4]+	6.7	1135.4485
TG(48:0) [M+Na]+	11.88	829.7258
TG(48:1) [M+K]+	11.56	843.6835
TG(49:0) [M+Na]+	11.95	843.7411
TG(49:1) [M+Na]+	11.71	841.7252
TG(50:0) [M+Na]+	12.07	857.7565
TG(50:1) [M+Na]+	11.88	855.7415
TG(51:1) [M+NH4]+	11.99	864.8018
TG(51:2) [M+Na]+	11.73	867.7408
TG(52:0) [M+Na]+	12.19	885.7876
TG(52:1) [M+Na]+	12.07	883.7726
TG(52:2) [M+Na]+	11.89	881.757
TG(53:1) [M+NH4]+	12.14	892.8318
TG(53:2) [M+Na]+	12	895.7717
TG(53:3) [M+Na]+	11.82	893.7598
TG(54:0) [M+NH4]+	12.24	908.8643
TG(54:1) [M+Na]+	12.19	911.8029
TG(54:2) [M+Na]+	12.07	909.7875
TG(54:3) [M+NH4]+	11.89	902.8171
TG(54:5) A [M+Na]+	11.42	903.7424
TG(54:6) A [M+Na]+	11.24	901.7256
TG(56:1) [M+NH4]+	12.24	934.8767
TG(56:2) [M+NH4]+	12.18	932.8629
TG(56:3) [M+NH4]+	12.08	930.8474
TG(56:5) C [M+Na]+	11.82	931.7722
TG(57:1) [M+NH4]+	12.3	948.8958
TG(57:2) [M+NH4]+	12.23	946.8816
TG(58:1) [M+NH4]+	12.32	962.9099
TG(59:2) [M+NH4]+	12.3	974.9105
TG(60:2) [M+NH4]+	12.32	988.9232
METABOLITES_END
#END