#METABOLOMICS WORKBENCH michaelsa93_20151201_9752471_mwtab.txt DATATRACK_ID:442 efahy_20160119_150000 STUDY_ID:ST000330 ANALYSIS_ID:AN000527 PROJECT_ID:PR000265
VERSION             	1
CREATED_ON             	January 15, 2016, 12:53 pm
#PROJECT
PR:PROJECT_TITLE                 	Effects of Zinc on GI tract metabolites
PR:PROJECT_SUMMARY               	This experiment tested the affects of different diets on mice esophagus
PR:PROJECT_SUMMARY               	metabolites. The diets ranged from zinc sufficient to zinc deficient and a third
PR:PROJECT_SUMMARY               	group that included zinc deficient mice that were put back on zinc sufficient
PR:PROJECT_SUMMARY               	diets.
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
PR:FUNDING_SOURCE                	U24DK097154
#STUDY
ST:STUDY_TITLE                   	Effects of Zinc on GI tract metabolites
ST:STUDY_SUMMARY                 	This experiment tested the affects of different diets on mice esophagus
ST:STUDY_SUMMARY                 	metabolites. The diets ranged from zinc sufficient to zinc deficient and a third
ST:STUDY_SUMMARY                 	group that included zinc deficient mice that were put back on zinc sufficient
ST:STUDY_SUMMARY                 	diets.
ST:INSTITUTE                     	University of California, Davis
ST:DEPARTMENT                    	Genome and Biomedical Sciences Facility
ST:LABORATORY                    	WCMC Metabolomics Core
ST:LAST_NAME                     	Fiehn
ST:FIRST_NAME                    	Oliver
ST:ADDRESS                       	1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis,
ST:ADDRESS                       	CA 95616
ST:EMAIL                         	ofiehn@ucdavis.edu
ST:PHONE                         	(530) 754-8258
ST:NUM_GROUPS                    	6
ST:TOTAL_SUBJECTS                	48
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	P25	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P26	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P27	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P28	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P29	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P30	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P31	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P32	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P33	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P34	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P35	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P36	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P37	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P38	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P39	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P40	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P41	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P42	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P43	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P44	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P45	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P46	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P47	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P48	Treatment:Zn-sufficient	
#COLLECTION
CO:COLLECTION_SUMMARY            	At sacrifice, esophagi were isolated. Esophageal epithelium was prepared by
CO:COLLECTION_SUMMARY            	using a blade to remove the submucosal and muscularis layers, snapfrozen in
CO:COLLECTION_SUMMARY            	liquid nitrogen, and stored at –80 °C.
CO:COLLECTION_PROTOCOL_FILENAME  	StudyDesign-LouiseFong-102314.pdf
CO:SAMPLE_TYPE                   	Tissue
#TREATMENT
TR:TREATMENT_SUMMARY             	Three dietary Zn modulated groups: Zn deficient, Zn replenished,and control Zn
TR:TREATMENT_SUMMARY             	sufficient Male weanling rats were fed a Zn deficient diet ad libitum (n = 16)
TR:TREATMENT_SUMMARY             	or pairfed a control Zn sufficient diet (n = 8). After 6 weeks Zn deficient rats
TR:TREATMENT_SUMMARY             	evidenced increased cell proliferation in the esophagus. Eight Zn deficient rats
TR:TREATMENT_SUMMARY             	were switched immediately to the Zn sufficient diet to form the Zn replenished
TR:TREATMENT_SUMMARY             	group. At 72 hours after replenishment, all animals (Zn deficient, Zn
TR:TREATMENT_SUMMARY             	replenished, and Zn sufficient;n = 8/group) were killed. Note: Zn sufficient is
TR:TREATMENT_SUMMARY             	the control group for each tissue (plasma, esophagus, or prostate)
TR:TREATMENT_PROTOCOL_FILENAME   	StudyDesign-LouiseFong-102314.pdf
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	1. Weigh 50 mg tissue sample in to a 25 ml conical polypropylene centrifuge
SP:SAMPLEPREP_SUMMARY            	tube. 2. Add 2.5mL extraction solvent to the tissue sample and homogenize for 45
SP:SAMPLEPREP_SUMMARY            	seconds ensuring that sample resembles a powder. In between samples, clean the
SP:SAMPLEPREP_SUMMARY            	homogenizer in solutions of methanol, acetone, water, and the extraction
SP:SAMPLEPREP_SUMMARY            	solvent. 3. Centrifuge the samples at 2500 rpm. for 5 minutes. Aliquot 2 X
SP:SAMPLEPREP_SUMMARY            	500µl supernatant, one for analysis and one for a backup sample. Store backup
SP:SAMPLEPREP_SUMMARY            	aliquot in the -20°C freezer. 4. Evaporate one 500µl aliquot of the sample in
SP:SAMPLEPREP_SUMMARY            	the Labconco Centrivap cold trap concentrator to complete dryness 5. The dried
SP:SAMPLEPREP_SUMMARY            	aliquot is then re-suspended with 500l 50% acetonitrile (degassed as given) 6.
SP:SAMPLEPREP_SUMMARY            	Centrifuge for 2 min at 14000 rcf using the centrifuge Eppendorf 5415. 7. Remove
SP:SAMPLEPREP_SUMMARY            	supernatant to a new Eppendorff tube. 8. Evaporate the supernatant to dryness in
SP:SAMPLEPREP_SUMMARY            	the the Labconco Centrivap cold trap concentrator. 9. Submit to derivatization.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	SOP Extraction of Mammalian Tissue Samples.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	UPLC
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Unspecified
CH:COLUMN_NAME                   	Waters Acquity CSH C18 (100 x 2.1mm, 1.7um)
CH:COLUMN_NAME                   	1.7um Pre-Column
CH:FLOW_GRADIENT                 	15% B to 99% B
CH:FLOW_RATE                     	0.6 mL/min
CH:COLUMN_TEMPERATURE            	65 C
CH:METHODS_FILENAME              	Data Dictionary Fiehn laboratory_CSH QTOF lipidomics_05-29-2014.pdf
CH:SOLVENT_A                     	60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid
CH:SOLVENT_B                     	9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid
CH:COLUMN_PRESSURE               	450-850 bar
CH:INTERNAL_STANDARD             	See data dictionary
CH:RETENTION_TIME                	See data dictionary
CH:SAMPLE_INJECTION              	1.67 uL
CH:ANALYTICAL_TIME               	13 min
CH:CAPILLARY_VOLTAGE             	3500
CH:TIME_PROGRAM                  	15 min
CH:WEAK_WASH_SOLVENT_NAME        	Isopropanol
CH:WEAK_WASH_VOLUME              	5 seconds
CH:STRONG_WASH_SOLVENT_NAME      	Isopropanol
CH:TARGET_SAMPLE_TEMPERATURE     	Autosampler temp 4 C
CH:RANDOMIZATION_ORDER           	Excel
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	WCMC Metabolomics Core
AN:DETECTOR_TYPE                 	TOF MCP
AN:SOFTWARE_VERSION              	MassHunter
AN:DATA_FORMAT                   	.d
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 6530 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:CAPILLARY_VOLTAGE             	3500
MS:COLLISION_GAS                 	Nitrogen
MS:DRY_GAS_FLOW                  	8 l/min
MS:DRY_GAS_TEMP                  	325
MS:FRAGMENT_VOLTAGE              	120
MS:FRAGMENTATION_METHOD          	Auto MS/MS
MS:ION_SOURCE_TEMPERATURE        	325
MS:ION_SPRAY_VOLTAGE             	1000
MS:IONIZATION                    	Pos
MS:PRECURSOR_TYPE                	Intact Molecule
MS:REAGENT_GAS                   	Nitrogen
MS:SOURCE_TEMPERATURE            	325 C
MS:DESOLVATION_GAS_FLOW          	11 l/min
MS:DESOLVATION_TEMPERATURE       	350 C
MS:NEBULIZER                     	35 psig
MS:OCTPOLE_VOLTAGE               	750
MS:RESOLUTION_SETTING            	Extended Dynamic Range
MS:SCAN_RANGE_MOVERZ             	60-1700 Da
MS:SCANNING_CYCLE                	2 Hz
MS:SCANNING_RANGE                	60-1700 Da
MS:SKIMMER_VOLTAGE               	65
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak height
MS_METABOLITE_DATA_START
Samples	P25	P26	P27	P28	P29	P30	P31	P32	P33	P34	P35	P36	P37	P38	P39	P40	P41	P42	P43	P44	P45	P46	P47	P48
Factors	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-sufficient	Treatment:Zn-sufficient	Treatment:Zn-sufficient	Treatment:Zn-sufficient	Treatment:Zn-sufficient	Treatment:Zn-sufficient	Treatment:Zn-sufficient	Treatment:Zn-sufficient
Acylcarnitine C16:0	57384	16001	25412	29624	9032	44579	25859	29916	9692	15620	19927	13082	12284	5191	7422	4647	808	5951	5628	2377	3076	1886	2506	4068
Acylcarnitine C18:0	90126	28124	36306	41694	10019	60456	37866	34130	21786	46077	59587	39654	38501	8733	32197	9239	931	22673	13915	6244	6284	3656	5886	7581
Acylcarnitine C18:1	27716	9139	11694	25699	5177	24113	12927	14777	5935	7122	9373	5117	8055	2714	3743	2596	668	5276	4293	1748	2676	1938	1396	3918
Acylcarnitine C18:2	11951	7676	4215	18568	3881	9336	10641	8234	4512	3947	5013	3382	4803	1444	3898	2137	607	4596	5393	2284	3899	3820	2192	6410
CE (16:1)	2729	1941	1552	1859	1191	1556	1562	2048	1928	2841	3109	3077	3600	1895	2567	1538	154	2307	1468	1041	1707	941	1954	1717
CE (18:1)	1755	1030	1908	1521	4935	979	792	5434	18551	18729	16776	16689	8129	10978	9672	8692	739	11060	10941	7718	11746	10375	11842	4175
CE (18:2)	8084	3430	7412	15398	12489	7425	7875	11465	14396	30933	35164	24788	16102	10921	10790	8259	1465	24464	29419	8843	17003	6822	14180	8929
CE (18:3)	2516	1129	3363	5253	2135	3013	1509	2069	4525	12740	12930	10908	6452	4320	3470	2924	207	5205	7409	1271	3742	1162	2002	1707
CE (20:4)	6854	7583	5674	11555	20626	8868	9666	8256	4975	11558	9708	6089	6353	3007	9208	6295	3029	4342	1697	11348	5272	6587	17395	6618
Ceramide (d18:1/23:0)	60867	29360	81108	54823	28267	83301	31098	31066	8804	14802	18199	13174	18933	3806	12893	6370	1554	9345	7159	5701	7833	4564	7244	10679
Ceramide (d40:1)	121977	120545	158831	110553	65645	195535	95098	71265	26110	42235	45805	32478	48697	8818	38772	15559	4022	25713	16351	21401	23425	17161	24601	42511
Ceramide (d42:1)	941412	450731	1194274	869462	494976	1369170	525788	690365	128806	263899	269808	195661	335852	48206	182376	79914	14741	116372	81297	73425	86352	73913	115211	177166
Ceramide (d42:2)	524941	235212	477444	388624	231317	654789	285283	293686	50187	85980	97135	73665	132234	21903	75998	34050	11959	61775	38033	42013	51600	36630	55135	88572
Cholesterol	34195	35659	35306	33833	35757	34509	34781	35716	38545	38170	36491	38267	36583	41320	37581	39440	42866	35972	38555	39199	38359	41766	38738	35773
DG (32:1)	3163	2851	3250	3642	2252	2811	3018	3386	548	1446	1433	869	1398	748	931	1027	545	1315	1238	1027	1224	793	985	2401
DG (34:1)	22852	22036	19484	23409	16995	24047	23362	20085	8270	10059	10991	9938	13512	4742	8096	6622	4013	17806	27550	8466	16003	8355	11465	22965
DG (34:2)	33802	44734	28315	45209	28542	34404	51010	42417	17849	22671	24037	20558	34638	9266	14999	13324	7200	66242	120307	22010	52904	20394	30726	74411
DG (36:1)	7540	5567	5759	7653	355	6686	6532	6694	2881	3527	3438	3513	5300	207	3918	2453	119	4170	4117	3116	4038	2404	4346	5714
DG (36:2)	19579	23688	5863	30385	17936	23121	32840	24600	11543	20515	16256	13567	20294	5607	19096	9617	4374	25221	55390	12995	23312	12056	20749	36829
DG (36:3)	19751	22539	15759	24978	10266	19990	24813	25703	10715	12397	13980	14935	28159	10467	6547	8649	7949	82704	217887	20067	64840	17657	29326	74166
DG (36:4)	6649	8427	4361	7778	1134	5122	7886	10582	6435	2335	6933	8605	17110	8485	1254	5148	5513	58749	175719	13536	42193	12282	21453	41690
DG (38:3)	83	2772	91	720	2011	391	2692	3161	285	1754	1886	719	3263	507	2070	934	2792	897	1757	661	1172	407	801	1563
DG (38:5)	7053	6339	4277	5496	5007	5671	6584	7359	4718	6995	5227	4299	6623	2628	4383	4658	3359	6850	4311	5224	6281	3630	5366	6581
DG (38:6) A	6155	4848	3454	4486	2313	4246	3620	7268	2790	2844	2731	2391	3071	1160	2445	2837	1199	3616	2588	3049	3310	2574	2972	4706
DG (38:6) B	6072	4813	3406	4344	2249	4140	3520	5019	2735	2768	2666	2771	3020	1209	2405	2782	1232	3523	2582	2982	3241	2516	2902	4641
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0)	1677	1042	865	1597	1046	1105	1153	1685	918	1005	1681	1415	956	635	1206	568	789	1287	812	1264	1158	768	718	1192
GlcCer (d40:1)	6587	14438	11524	13721	10252	15210	13979	6005	1461	2172	2467	1342	2887	715	2675	1225	348	2768	1419	2250	2031	1527	2154	4418
GlcCer (d42:1)	40771	57688	95682	135494	81653	123263	88379	53890	6362	7877	9905	5985	14266	1866	10117	4528	1483	8170	4956	5784	5865	4569	8827	15228
GlcCer (d42:2)	8775	12309	18581	24360	15380	25392	19770	9948	898	2807	3634	2720	2719	611	3440	2447	698	1553	2870	1339	2606	1216	2487	5544
LPC (14:0)	1833	1563	2662	2148	1519	2705	2316	1520	486	504	668	677	858	334	570	642	272	1577	367	612	802	497	685	950
LPC (15:0)	2948	958	4018	675	333	3152	812	587	914	883	168	131	1822	44	1109	120	57	2188	113	1038	173	714	146	1341
LPC (16:0)	142051	99108	96668	132095	89516	104469	130218	107147	63232	81418	80042	72462	88146	45469	73181	76396	42442	325910	86329	96029	101601	59926	97085	122505
LPC (16:1)	3117	3499	3612	3058	2408	4258	3870	3587	764	1172	977	969	2133	573	974	1070	424	4023	790	961	1389	865	1212	1489
LPC (18:0)	158736	102833	90173	166992	119042	118985	145080	116037	80597	110814	106018	82192	122068	48546	89780	85666	46132	206415	106501	109274	111670	73012	112098	125209
LPC (18:1)	24865	22051	22318	24369	15327	27805	21464	24883	8415	11835	16316	9677	18388	5746	9663	10557	4882	55602	9399	20371	14741	8210	11800	24587
LPC (18:2)	12140	17642	23810	15222	13543	26642	29641	19479	8377	11002	10445	7037	15080	5029	6838	10021	4798	25490	8669	14482	14123	6507	9257	12542
LPC (20:0)	27931	20494	25749	33982	13586	28645	26781	14380	15424	16342	23411	18988	33409	8065	29307	14676	3476	22932	15735	15185	17024	9918	17946	29012
LPC (20:1)	5490	3402	4840	5559	3462	5463	4856	4493	1144	1176	1302	1186	2462	707	1549	1446	508	10408	1092	1597	1732	1189	1726	3089
LPC (20:2)	1762	1908	1399	1802	1381	1617	1934	1964	711	757	646	688	1111	263	703	746	156	3348	633	686	945	213	695	1503
LPC (20:4)	4653	10656	5734	6165	6308	8886	8554	9456	4066	8377	6295	4960	8938	3047	4123	5663	2733	7639	5686	8647	8549	4845	6575	8920
LPC (o-16:0)	13173	5310	5202	9727	5396	7445	8339	8966	1995	2162	2575	3014	2705	888	3215	2123	763	9019	1857	2419	2752	1763	2644	4333
LPC (p-16:0) or LPC (o-16:1)	12871	5107	5242	11513	4996	7696	5214	5235	1394	1655	1597	1900	2521	777	1314	1659	602	49	1699	1237	2057	1361	1718	3325
LPC (p-18:0) or LPC (o-18:1)	7850	2098	1280	2857	1982	2283	2908	4447	84	802	907	1167	1089	448	1062	1227	651	9208	866	1168	1444	780	1375	1964
PC (28:0)	7424	8611	7580	11648	8110	11072	10245	7512	1512	1755	2156	1795	2923	875	1708	1833	630	2533	1469	1642	2395	1620	2217	3521
PC (30:0)	533472	601431	496999	683906	547384	697300	598179	556250	218940	269756	300847	217084	312415	113524	238366	231188	82636	297780	181363	240042	275830	179781	275570	436895
PC (30:1)	20678	17100	22686	30650	22306	31560	27324	19184	3534	4493	5576	4688	7557	2170	4585	3764	1285	6254	2952	3426	5157	3307	5754	7821
PC (31:0)	239988	271036	235830	236410	168202	293879	213115	214039	85838	131960	150434	96116	146968	47977	102553	83142	29310	102956	102076	85045	107708	51265	84718	135139
PC (32:0)	2196018	2748234	2235210	2779880	2583650	2718543	2357554	2460736	1595982	2136352	2038692	1511542	1801245	1033654	1830926	1650561	1058285	2029124	1691920	1835778	1825022	1299849	1779136	2468324
PC (32:1)	853482	743970	795076	1111358	808042	1120022	967293	801046	276378	386362	415117	318945	492226	144458	399478	299581	99645	444130	236274	295897	355281	213256	430612	565388
PC (32:2)	249107	258387	328369	460336	271970	369411	378957	287825	86223	111735	145748	112180	176048	32544	111356	80862	10670	136091	78109	94544	116748	67188	129011	203370
PC (32:3)	82055	91137	75985	108195	81511	110679	92511	82172	27881	36433	40846	28200	42601	12587	31068	28613	9717	40154	24209	30920	37096	22141	36178	60698
PC (33:0)	52443	52332	46612	58101	36850	64431	42634	46023	20543	35690	35842	26401	35008	11564	27778	21248	7912	24604	29200	21824	28255	12855	21906	35557
PC (33:1)	238492	173975	224305	257137	148461	257245	224551	198251	96626	125986	159815	119664	216117	45354	117573	82612	21740	113182	99492	82543	110395	48175	100466	137728
PC (33:2)	120903	110209	133095	165640	93194	130425	145705	126798	68779	87956	127394	76603	132078	30632	80853	56671	11876	87554	90523	54723	79672	31991	61522	99530
PC (34:0)	424488	468490	362587	577512	487715	522700	454416	454923	230504	348714	338254	251939	287868	144699	311478	273829	164879	348028	301257	323810	337132	203687	324907	433713
PC (34:1)	3191977	2797315	2795755	3830017	2939148	3492267	3306398	3007583	2117032	2597530	2644831	2271775	2820365	1287316	2534240	2052745	1184857	3024593	2126606	2407621	2470809	1732243	2690458	3195701
PC (34:2)	3220710	3390361	3102621	4267634	3141071	3559430	4226304	3434812	2560785	3190678	3163607	2660350	3038499	1243472	3121114	2323848	941225	3482192	2436306	2510802	2632092	1847468	2807306	3811459
PC (34:3)	289481	262246	350426	453528	263354	436530	384384	309453	100859	140324	168091	130623	217113	45550	164175	98829	19502	138902	86180	98478	117892	71711	152240	218160
PC (34:4)	12797	13796	10790	17138	14384	13752	15110	13760	6406	11000	13285	7599	13186	5546	6891	9515	4635	16607	7467	9025	10175	5842	10100	12018
PC (35:1)	78731	56974	59134	82779	42781	76163	65490	65283	44816	77676	80035	59233	101783	23891	56697	39963	10421	56559	61261	39072	50843	21423	43397	59593
PC (35:2)	59000	42175	54845	69923	36097	64289	56648	56482	35988	58786	67253	45941	80147	19957	44774	31369	8507	44926	54019	32187	40264	17608	33874	55383
PC (35:3)	59747	43008	54507	69893	35822	57309	59198	64964	32460	53583	64169	44231	84281	22108	42988	32471	7248	46699	62833	33220	44153	18892	35288	57649
PC (35:4)	12594	12602	9460	13994	11014	10576	11988	13577	8985	17061	19679	10274	17744	6881	9438	11454	5986	18115	13807	11771	13246	6683	10754	16352
PC (36:1)	1002078	874715	786271	1261223	819285	1216495	1034207	912952	604895	873778	890991	726584	961262	364769	807806	564152	289626	878758	766058	708094	788261	472534	851441	955198
PC (36:2)	1598931	1721220	1464944	2239814	1591904	1910092	2230157	1701165	1338631	1765829	1720878	1348282	1655112	555485	1699236	1129920	487530	1531307	1274791	1274555	1330583	910548	1413180	1973352
PC (36:3) A	201088	216934	160780	253698	269216	185494	301700	231498	186862	322249	301353	198439	257965	162770	212758	238928	220242	487119	283706	322030	306216	196751	269556	341825
PC (36:3) B	42339	40477	40853	47985	9598	44081	42397	38517	31981	38906	37644	37294	39004	22873	37211	5976	5985	40140	34094	7713	4457	29025	8748	41554
PC (36:4) A	523606	734739	496532	1032339	457697	638071	892593	832094	537802	747789	832763	554220	803372	260542	660782	508685	113098	560652	625388	507169	589808	354646	578589	1055163
PC (36:4) B	1420535	1521473	1129945	1706704	1783446	1292722	2079006	1593634	1305153	2164376	2028348	1382318	1770453	1067195	1475195	1592055	1426307	3209104	1917805	2139982	2052557	1313277	1820380	2342513
PC (36:4) C	325329	307337	306041	350526	306899	346109	327817	308117	248314	276346	279416	265114	296650	162300	281044	248870	141013	311281	246524	262378	273489	220223	289376	313576
PC (36:5) A	705	1271	1043	2083	1248	2732	2833	1819	582	491	411	306	432	279	472	393	175	1090	714	1167	822	421	715	1546
PC (36:5) B	96582	141604	122906	129606	121330	157846	113599	104660	46295	93299	83917	52000	102603	30459	65050	57290	16868	83145	47080	61191	63211	32425	67313	88111
PC (37:2)	12282	11951	10888	14054	11538	13299	14754	16426	11221	15771	20950	12232	20463	6119	13913	10584	3511	12957	16707	9090	12371	6033	9553	16104
PC (37:3)	6476	9299	10740	11604	7635	12707	2017	11486	6520	8233	1591	5010	12093	3418	6847	4046	1579	7466	9029	5264	7143	3359	5117	8743
PC (37:4)	25473	23097	17855	31508	26873	21912	31955	29507	22309	41437	37161	25104	34814	16140	27148	25553	17622	42409	33847	31708	32177	18963	28011	41288
PC (38:2)	35306	60496	31567	41993	12913	44773	39897	21866	112775	173323	178761	104832	184323	58534	175356	106830	23621	90972	132959	67647	94206	62371	100354	171482
PC (38:3)	87701	79138	56170	99853	81780	73741	100907	99075	78787	124771	107172	83087	103644	38466	90057	69118	37430	123702	95629	93263	106972	54309	108527	141690
PC (38:4) A	1200358	1112103	918221	1440679	1521953	1061786	1462102	1422136	1251409	1845091	1812041	1298770	1378629	1139434	1324343	1454583	1210253	2234431	1974192	1835204	1797126	1220479	1688956	1750525
PC (38:4) B	161268	136478	113204	208168	129396	197922	172227	148095	83437	145663	147350	106862	157215	31750	124200	76069	22037	148961	122147	105545	124041	48443	138263	160511
PC (38:5) A	362307	404925	350901	432893	459244	442106	427524	409295	285331	447157	436031	318299	454394	227690	356007	374490	269025	551600	389517	451508	421641	264793	409444	456401
PC (38:5) B	35771	43415	385	71856	67175	46780	118332	58221	29520	55247	59665	30037	43867	10324	41825	32550	33307	93768	41378	41087	48776	32430	58426	67258
PC (38:6) A	26232	53514	23974	39008	43751	27755	146646	33336	15851	30090	24590	16463	20187	13798	15882	16986	23730	61456	23882	33218	25929	16502	20908	33793
PC (38:7)	936	1285	886	1076	997	1002	1055	1430	379	939	1033	731	1542	379	492	772	260	552	524	505	804	353	627	601
PC (39:6)	719	881	612	1102	873	839	1242	1084	539	797	738	564	711	318	561	489	276	1047	1035	666	615	369	600	1042
PC (40:4)	10612	12593	8809	13915	17162	15230	13079	9509	8241	9715	10675	6353	116962	2838	12652	134559	4441	19112	284186	8849	8720	96104	11631	16926
PC (40:5) A	51876	51080	36235	69515	79330	57117	67650	65006	42350	65181	65588	45141	61708	37505	44404	57090	37824	117587	56703	67449	62840	37598	61729	77550
PC (40:5) B	19301	20860	16985	38468	35990	24953	44826	30457	15885	28316	30160	16010	9729	11751	21372	16152	14320	39130	18318	19341	23721	15968	19898	29513
PC (40:6) A	24542	38073	26992	33186	45567	28352	36901	41490	28033	39393	38855	25088	32901	15867	30531	32421	12224	39766	25715	31908	28351	16211	30169	39321
PC (40:6) B	18994	24427	16356	25191	28574	19655	44569	23929	12952	21945	19949	13781	14048	10900	12233	14138	11705	30490	21578	20391	18134	11341	16138	19658
PC (40:7)	9830	8470	9222	9439	9936	10652	8513	9200	7385	9969	10312	8587	11517	5251	8538	9326	8121	12042	8642	10642	10402	6341	9784	10440
PC (40:8)	57809	88381	58220	85824	77053	86958	82414	77837	43311	76151	63416	41413	80260	23684	52902	50725	11530	56232	43754	47665	54331	35572	54705	69881
PC (42:5)	7210	8967	7832	10917	11082	8102	10245	9999	4790	7988	8085	5291	7320	3900	5520	5764	3276	13931	7774	7052	7184	3961	7170	9567
PC (42:6)	4419	3671	2065	5018	2165	3365	5502	4969	3756	7431	7114	4154	3743	1655	3529	3988	1528	10101	7796	5766	5948	2604	5102	6339
PC (42:7)	1782	2520	1319	2657	2803	2019	2720	2883	2209	3277	2702	1658	3541	1230	2210	2185	837	2993	1740	1672	1893	811	1563	2591
PC (o-32:0)	215057	264409	195293	243094	268331	278852	307062	243221	71132	114934	107635	107774	90334	30887	164281	72150	36161	124340	63132	117334	91799	51482	101442	207628
PC (o-34:0)	37210	37969	35308	60366	48977	51901	42303	37121	13880	19681	19530	17914	16140	6594	23987	13339	7512	21125	14280	20083	16850	11911	20299	29334
PC (p-32:0) or PC (o-32:1)	84812	84298	56145	111193	75806	81490	80432	71807	51357	73637	71854	46840	66380	24483	55962	46713	24004	56594	44748	51335	54462	34968	44165	69986
PC (p-34:0) or PC (o-34:1)	255933	244452	213753	347648	307945	338466	307442	268365	111624	155677	158711	133074	146056	52256	180259	105866	67573	184533	115138	151738	138338	81778	164455	221900
PC (p-34:1) or PC (o-34:2) A	92646	90366	76950	127736	92835	101797	147233	104682	72104	86598	95319	96390	79111	23813	134880	47478	18156	78496	52347	68700	69175	32702	74576	105907
PC (p-34:1) or PC (o-34:2) B	1733	1962	815	69904	1613	2377	2491	1809	1173	1763	2142	1266	1793	658	1705	971	3252	18018	934	1617	1796	1196	2196	2695
PC (p-34:2) or PC (o-34:3)	32443	36890	12082	60560	30498	35096	43020	21015	30347	52499	61482	41329	52884	12289	40623	27897	3981	52173	26994	5501	13327	11409	566	1595
PC (p-36:1) or PC (o-36:2)	13972	14245	13434	23859	16221	19762	19067	15853	9385	13252	14162	12480	11634	3471	16161	6668	3314	14087	7681	9471	9512	4797	10903	13680
PC (p-36:2) or PC (o-36:3)	11848	11485	2395	17752	15359	13746	18770	16877	2112	11071	13327	11879	1763	4016	16154	922	4440	15679	9576	13478	1917	1298	14307	13704
PC (p-36:3) or PC (o-36:4)	214810	168590	117899	244174	224831	173571	248737	217857	122477	160961	202450	145122	139641	61287	201390	130593	79179	230114	134046	173104	162180	93658	157949	210808
PC (p-36:4) or PC (o-36:5)	260294	230492	130697	305215	249875	173043	276895	240962	171488	292520	282832	185024	233360	121394	198111	192626	134546	355913	271677	278073	281965	157070	226670	323903
PC (p-38:3) or PC (o-38:4)	30797	25867	16367	38841	37366	23209	39502	32902	15249	19838	24867	19356	15715	8218	26985	15070	10850	37905	16196	22652	20347	12942	21554	26943
PC (p-38:4) or PC (o-38:5) A	162754	108392	68431	155476	165022	101827	147415	158946	85634	120053	155000	102444	108812	42972	144806	99203	60177	185441	111113	136530	125129	65031	132558	155982
PC (p-38:4) or PC (o-38:5) B	3311	2987	1779	4561	2921	2526	3981	2863	1972	3744	3760	3407	3440	190	5145	1314	69	4309	1669	2199	2704	786	3248	3791
PC (p-38:5) or PC (o-38:6)	4693	7425	4758	52692	36932	38017	39116	40387	3524	39932	6553	24234	34668	1751	4944	28090	18651	54098	41246	5690	7581	19690	3380	50112
PC (p-40:1) or PC (o-40:2)	451	1252	1149	8384	509	8721	5991	204	196	121	142	91	199	50	85	97	129	98	308	99	98	77	198	451
PC (p-40:4) or PC (o-40:5)	3122	4435	2368	3494	3083	3462	4265	2866	1867	3123	3898	2160	2453	1018	2629	1624	687	4540	2809	2098	2682	991	2963	4445
PC (p-40:5) or PC (o-40:6)	712	692	693	1386	2156	1610	1678	1305	1368	1897	1402	1052	1432	846	1042	1449	802	2360	1995	1587	1754	810	1665	2374
PC (p-40:6) or PC (o-40:7) A	2146	1690	1013	2051	2297	1590	2232	2124	1250	1626	1763	1387	1300	409	1807	479	642	2481	1709	1604	1585	829	699	2136
PC (p-40:6) or PC (o-40:7) B	8657	6385	5493	9422	8661	7370	7600	7756	5290	8022	9969	7349	5955	2557	6889	6801	1935	9995	7867	7182	7671	4487	6793	8044
PC (p-42:3) or PC (o-42:4)	2444	3927	5138	6746	4507	5873	5405	3613	805	881	1142	820	1609	363	981	685	177	2203	688	571	733	514	813	1642
PC (p-42:4) or PC (o-42:5)	3894	7412	8270	12927	9473	10911	9767	8673	1228	1570	2095	891	3071	499	1550	1130	377	2494	1423	1552	1918	1699	1983	3865
PC (p-42:5) or PC (o-42:6)	1393	1555	1557	2383	1305	3779	1839	1540	731	1290	1658	1135	627	305	1054	928	427	1419	1034	1139	527	527	1078	1326
PC (p-44:4) or PC (o-44:5)	6714	9159	9224	15514	9174	11806	12028	11486	3680	5441	5380	3497	7994	1200	4228	3314	1053	5581	3126	4451	5071	4994	5252	8987
PE (34:2)	63291	72775	67714	87577	59435	81103	94932	67427	36589	45144	44638	37589	49784	13534	47942	28462	7403	56018	29418	31789	33694	22216	40738	63269
PE (34:3)	3873	4268	3843	5093	3275	5419	5607	4518	1462	1629	2013	1897	2560	617	1857	1154	1168	1503	1331	1079	1614	805	1787	2704
PE (36:1)	95097	89975	89442	128787	77897	132746	104220	92672	49437	74516	69505	61975	91425	25029	71043	45959	16277	75416	60752	53806	59359	35477	69900	93148
PE (38:4)	349435	327785	311909	498772	459275	424478	483653	423126	288991	469487	415247	301646	390508	200139	302726	330721	168788	528841	415645	382171	389626	210830	431744	535945
PE (38:6)	5358	7509	5613	8588	6733	6958	13089	7334	3373	6546	5383	3454	5172	2840	3165	3835	3095	9007	4323	5545	4083	2595	3543	5558
PE (40:7)	1519	1750	1688	2049	1884	1830	2277	1966	993	1787	1295	617	1225	157	1347	1109	4559	2532	1454	1769	1588	710	1378	2076
PE (p-36:2) or PE (o-36:3)	28239	28983	21976	36514	22533	31983	33788	25557	16986	29724	29952	25316	30717	10369	25952	14192	4794	25812	24157	16349	16369	9866	19224	32054
PE (p-36:4) or PE (o-36:5)	425645	377159	273807	451360	391856	354102	469032	394345	275155	418993	392489	284770	411173	184999	351433	291319	168214	452791	369319	363820	357521	213926	351810	460393
PE (p-38:4) or PE (o-38:5)	280426	273515	157974	330104	302357	204359	356540	285864	172681	290405	295701	199228	251153	97380	242091	181428	107658	326280	213127	241909	230890	149526	236260	314196
PE (p-38:5) or PE (o-38:6)	206232	170769	141361	222093	196967	184606	209783	213669	154613	227293	217378	163608	216749	113152	181602	168223	118260	261899	222725	216626	206987	124433	216747	271025
PE (p-40:5) or PE (o-40:6)	6431	6431	3649	8390	8235	5680	7983	7637	4293	8154	8485	14487	7466	3173	5763	5622	1129	9977	7364	7748	6807	4157	7062	9217
SM (d32:1)	4416	4094	3926	5438	4351	5184	5078	3876	3413	3784	4529	3305	4061	2007	3878	3305	1430	5109	3694	4464	4218	2763	4469	7321
SM (d33:1)	43305	27781	33436	42638	26658	38131	33828	33346	30244	36380	49412	33517	44086	13631	36951	22715	4446	34877	42101	30091	36265	16149	32651	52699
SM (d34:0)	28174	25344	21588	31594	28766	21751	27281	28530	17309	33893	27624	19653	25320	14825	20337	21809	10529	37696	29992	20622	26150	13292	20567	26719
SM (d34:1)	1710233	1334506	1107775	1980638	1611089	1350929	1764798	1629507	1281546	1789973	1850366	1224852	1692609	693418	1570339	1160917	578320	2232007	1758836	1408006	1793821	925521	1509287	2236974
SM (d34:2)	15822	12745	8547	17119	15040	9402	15717	15158	13293	21483	20202	13509	14533	11206	14685	13558	11683	38576	23198	22036	22752	12759	22982	27041
SM (d36:0)	7193	8161	4466	8374	6748	4268	6989	8089	4855	9740	7965	6099	6911	4747	5418	5760	3681	10683	9202	6471	8421	4281	6712	7625
SM (d36:1)	351265	341178	192814	403285	400913	216002	445623	422269	355161	574821	486212	400570	434212	329888	382460	390512	329758	755639	648342	562537	568503	345956	520088	583241
SM (d36:2)	38101	25790	18837	41817	47643	20550	47238	44043	47276	86517	72286	54315	44653	49471	44753	46920	46072	162845	113605	82988	86001	45294	77390	83851
SM (d37:1)	1161	777	710	1178	1044	620	1172	1212	2690	8521	6819	4472	2690	2864	2759	3030	5293	7476	11367	7306	6809	3642	5534	4921
SM (d38:0)	2611	4063	334	3206	2588	340	3293	2750	89	3316	2943	2052	2434	1666	141	1920	1196	3560	2670	2265	2590	1538	2254	3291
SM (d38:1)	155674	246349	78028	188934	187577	80522	217257	221944	160157	300241	244017	171015	208556	136024	156875	177018	144042	435762	307744	294282	300310	152767	268371	333803
SM (d38:2)	110	116	723	816		268	5200	6039	11765	21489	15276	14898	10562	15755	8565	11112	14214	43280	30448	20679	23460	11212	18762	18111
SM (d39:1)	5239	7433	162	1598	5420	296	6427	6127	5051	8248	7252	5250	6561	3517	4853	4844	4097	10342	9723	7632	8459	4646	7762	10543
SM (d40:0)	2762	3009	1963	3225	2251	3147	2802	2039	849	1992	1826	1248	1822	853	1284	1044	626	2126	1496	1216	1555	975	1469	2038
SM (d40:1)	118108	150796	79096	153491	155639	95674	160054	157916	96055	165474	142186	95051	119284	75664	97348	110028	83258	224228	153588	161998	161967	96644	154262	206695
SM (d40:2) A	13254	5730	4044	14532	9304	5134	9609	14356	6706	17843	18292	9145	23455	12559	4722	14413	12102	29286	26836	20315	19464	8068	15481	24479
SM (d40:2) B	15005	11967	8091	17550	14907	7884	15187	16960	14036	24003	19680	14558	14415	9917	12448	13078	11775	33055	24156	19855	22182	12235	20388	23725
SM (d41:1)	21403	19397	17154	26206	22721	19129	24692	22959	13372	25248	19528	14066	17256	8908	14881	15156	11707	26247	21117	20306	19948	12411	21262	27650
SM (d41:2)	3521	2640	2689	4152	3296	3508	3482	3642	2120	3979	3712	2669	3257	1965	2424	2545	1862	4530	5344	3535	3827	1863	3424	4917
SM (d42:0)	8384	4923	6978		643	10418	5793	812	1863	567	260	613	650	377	1999	1911	230	3619	2306	2288	2149	1463	3037	5331
SM (d42:1)	312935	267435	320019	478478	403641	406546	374701	364664	145897	252081	226217	148876	212885	101096	172904	173272	119208	277549	200808	237501	231270	153218	228718	320665
SM (d42:2) A	372766	342852	318728	525699	488406	454683	463137	478523	250684	446144	411346	280489	351947	216702	279066	313664	219191	526118	482509	427637	414777	233939	415600	500482
SM (d42:2) B	9048	8049	5819	23254	13254	12473	10704	8148	4002	9636	13613	5788	8387	5914	6412	5886	3076	21019	8244	10563	8117	4029	5803	10452
SM (d42:3)	132991	126317	88378	175979	159999	47971	170120	198193	138421	240818	231218	149471	168439	105558	144888	156293	93429	273155	246990	203980	196602	103983	200399	236900
SM (d43:1)	11219	5986	10533	12719	9966	11242	11057	9213	4233	6970	6971	5024	7352	2404	5030	4814	2902	6874	5083	5787	5874	3310	5161	8941
SM (d43:2)	8247	6635	13467	12417	9847	16693	8809	7237	2846	3986	3822	2612	4133	1548	2914	2613	1614	4922	4195	3741	3643	2182	4074	5586
SM (d44:2)	44215	42878	67014	92886	51400	112355	51594	34928	13072	18413	16855	10638	19024	5154	15876	11072	6117	15809	11348	19732	20187	13807	21686	33969
TG (14:0/14:0/14:0)	6856	962	7605	6650	3680	8397	4481	1076	918	706	829	734	691	500	1473	460	383	1401	865	743	714	272	861	759
TG (42:1)	1556	1217	1015	1422	570	375	998	1282	887	692	1553	1378	1329	543	1180	862	900	1298	730	1265	1252	1458	1570	1550
TG (46:0)	490	28772	975	1024	2399	5389	4281	2486	886	2505	4164	385	502	1595	2905	3031	407	2284	499	1737	2847	1299	1546	6552
TG (46:1)	1801	42563	2085	1138	826	3206	5565	923	806	1662	4937	1471	3928	2154	3805	4135	2450	1096	5004	1207	1438	745	1005	4560
TG (46:2)	421	15896	1354	674	811	1211	2628	801	330	1208	1917	585	1813	595	1500	1920	1898	1034	2496	609	1164	726	776	3333
TG (48:0)	41036	154833	35887	24054	22271	36367	30848	23378	13919	30562	45189	21969	37182	18502	33619	35548	13909	23817	39831	18673	30524	15597	18070	69117
TG (48:1)	29876	291708	42116	15506	13265	33863	39972	17718	7498	24380	45750	15858	35222	17269	33595	36965	17350	18542	49135	17610	23470	9339	6152	78342
TG (48:2)	17313	151831	27822	12423	6432	21797	22674	10300	3839	10113	20181	7108	17685	8824	14026	18584	12765	8756	24081	8908	10363	5062	5267	31795
TG (48:3)	1714	24574	4401	1272	513	2061	5128	1098	640	1736	3564	1232	3414	1829	2463	3370	4083	1328	4774	2023	1825	1047	1076	5314
TG (49:0)	9198	4871	7324	4965	2541	8019	2737	4352	1449	2191	2055	2132	2236	1004	1664	1366	686	1379	1646	872	1201	767	889	1623
TG (49:1)	22483	14437	25411	9828	4912	22634	7828	10917	1486	2303	2702	2710	3551	930	2065	1341	445	2800	2520	901	1273	577	955	2720
TG (49:2)	23242	14031	30675	15241	4922	25439	4606	11571	1016	2372	2031	2994	4288	625	1368	1914	1712	1029	3241	840	1796	462	1225	3564
TG (49:3)	3534	2420	4541	1804	666	3479	1587	1954	175	244	745	529	816	196	290	570	593	285	837	305	202	88	165	828
TG (50:0)	14629	21229	13378	12835	9741	14369	11261	10618	7702	11392	13128	10550	12457	7910	11474	8710	5476	10371	11547	7608	8654	5543	7757	13107
TG (50:1)	196040	698101	239745	102468	75001	202720	132040	117092	49769	134586	226300	102981	192853	91491	175661	197148	91231	183699	407131	109958	170771	63489	78852	414060
TG (50:2)	187168	793243	270096	132812	69725	209645	140684	122572	44722	105683	208721	85267	203728	83747	133340	179196	147670	243250	532483	105822	168692	59095	77903	423310
TG (50:3)	57505	251673	93992	33939	14858	65684	33975	34657	9377	24279	60003	18648	54580	24182	31378	51944	58963	26802	92926	25855	26759	11795	13347	90405
TG (50:4)	12140	32407	21451	11393	3214	14871	6866	8381	1827	3617	8671	3525	9162	3757	4283	6904	10180	5563	16918	4684	4857	2532	2582	13558
TG (51:1)	18823	1205	21632	11546	3799	19112	444	8008	518	549	838	482	3472	557	609	583	746	685	708	310	445	312	363	908
TG (51:2)	41361	25114	47758	21585	7364	39303	13815	20897	2455	5416	3805	6687	9058	1442	2243	2040	1906	2709	5309	2471	480	955	1172	3712
TG (51:3)	39684	17481	58136	24406	6757	43533	12877	20521	1341	2888	4682	4289	6722	1713	2429	2545	3409	3071	7472	2010	2408	1110	1372	5639
TG (51:4)	11364	4922	15541	10039	2178	12101	4274	6968	740	1160	1912	1689	2258	733	876	1060	1363	1714	3562	958	1292	445	742	2054
TG (52:0)	16547	20397	18703	18399	10041	20024	12173	13991	6296	10605	12050	9885	11214	5264	10302	10131	4028	8350	10557	5660	8951	6148	5832	12350
TG (52:1)	162093	251935	171206	92176	49920	160217	65292	88310	2689	47017	76839	53118	75205	28588	60462	61926	22247	65893	146584	37068	58426	23740	29128	132315
TG (52:2)	383093	1042110	470604	206289	105491	398954	221675	244735	79185	187038	333553	170827	342936	151160	230526	296270	203794	518401	1078282	204513	354375	119733	157483	662994
TG (52:3)	525750	1041034	739746	366797	147031	608074	276306	361782	95564	186085	403833	198306	510736	205048	198365	345236	456708	982293	1990418	285069	566472	168231	242961	975894
TG (52:4)	218895	424314	383291	224162	55563	256124	105051	153389	55956	71257	165845	99515	275909	112810	65747	149824	283142	1025589	1993456	182677	469406	119241	199800	663371
TG (52:5)	24209	40604	34931	18673	4058	23601	9979	16847	3231	6406	16617	6323	18626	6056	6186	13193	26748	28110	66574	9225	13426	3994	5634	26369
TG (53:1)	12096	4440	12743	8545	2981	11438	3460	6449	1299	2674	3218	3332	3775	802	2062	1662	758	1861	2531	848	1353	576	812	2397
TG (53:2)	24944	11277	30018	14828	2155	25236	3140	13845	1502	2085	4709	4860	5746	971	1772	1976	1256	2479	8224	1302	1580	769	915	3219
TG (53:3)	29209	13585	39860	19099	5500	31276	9328	15604	954	3871	5720	5484	7298	2086	2895	2953	1281	6597	14550	2331	1950	1424	1194	6718
TG (53:4)	17683	7761	25392	13690	3099	19307	5844	9942	1403	2740	3965	3619	5082	1811	1921	2149	3025	7429	16657	1777	4092	1242	1992	5666
TG (53:5)	4793	2331	6212	3447	812	4519	1765	3048	610	776	1258	926	1762	433	543	687	1285	2755	5580	671	1580	671	838	1876
TG (54:1)	78984	42836	81590	58441	22286	84236	24680	40323	9810	19225	25432	25398	27753	7874	19691	15570	5595	23152	39857	10929	16486	7869	10667	26429
TG (54:2)	198022	219855	230315	112575	49518	216403	74242	116230	19848	42422	65428	56809	77859	26161	46377	49658	23185	92858	209525	34209	58665	23030	31219	108843
TG (54:3)	391007	494483	479336	256411	82366	426843	158451	246922	50828	96248	173646	124178	233683	91341	101206	138941	144478	534486	1096589	138117	290054	86583	125904	473570
TG (54:4)	444057	500314	622927	312202	89225	514997	188141	306764	69453	103927	230535	153626	380977	148597	92274	186967	352919	1109719	2217987	231007	566945	147495	223127	792947
TG (54:5) A	245983	287021	390799	241151	49730	281569	103524	195608	64579	61111	149424	120592	337124	139943	44584	136458	352276	1616969	3046974	248819	701452	174839	305355	891647
TG (54:5) B	30343	47402	30142	10581	6578	34131	13423	14483	2708	9860	11131	5374	11400	4979	5818	5553	5717	5448	12889	6302	5089	2491	4965	11157
TG (54:6) A	47987	59432	77061	73091	12268	48817	25140	50704	39054	21790	46434	57256	174028	76704	13766	51370	144171	1180842	2386263	136939	475383	105544	195064	565276
TG (54:6) B	26320	31953	30821	14989	6241	27661	13817	13293	2517	5450	7553	3689	6219	3589	3320	4625	4770	9059	16637	3867	4100	2120	3512	7832
TG (54:7) A	2411	1075	1268	944	478	2122	887	1249	1728	842	1499	1797	6145	2623	642	2266	5937	47369	87653	5407	17211	4357	7644	21532
TG (54:7) B	4040	3633	3655	1796	610	3601	1423	1977	412	945	1542	1243	6736	1827	463	2259	5999	47413	87749	5599	17778	4509	7907	21592
TG (55:1)	8386	3069	8640	7002	2670	8054	2360	4226	1836	2188	2408	2658	660	822	1884	1694	902	1565	2237	875	1022	702	1109	1520
TG (55:2)	9063	3272	12051	6609	2575	10779	2936	4418	659	1732	1380	1323	1399	429	844	310	631	362	2680	672	638	178	646	1766
TG (55:3)	11106	3861	16956	8958	2644	13941	3448	5674	840	1389	2290	2130	2640	762	1401	1216	955	1961	2568	1039	1328	544	941	2251
TG (56:1)	62442	24472	65522	57714	20611	68799	18526	31942	11268	16790	19848	19893	19334	5192	16530	9751	2547	16244	22232	7448	10347	5757	10072	13723
TG (56:2)	60487	24060	86121	56433	18967	87074	20254	32192	9137	13027	17610	16837	18911	5756	12842	9565	4327	26817	48123	7945	15117	5977	9642	18658
TG (56:3)	64569	33575	108342	61306	21587	99412	26801	41586	5895	8913	13914	13863	17940	5478	10003	8306	5148	32334	62621	7483	16854	5441	9423	22033
TG (56:4)	53455	28257	99790	52302	16185	86026	22352	35629	4156	5467	10064	9423	14510	4280	4945	6424	6835	28561	63740	6527	15113	4567	6802	20432
TG (56:5)	30935	26578	28059	15275	5429	32106	11472	15345	4303	11391	15565	9049	10993	5418	10001	6143	2937	8791	4753	4433	4154	2108	6034	6146
TG (56:6)	35074	25286	29605	20746	6236	39209	14198	20310	3800	9845	10158	7348	8566	3866	6947	4932	2977	6587	5934	4288	3418	1415	4751	6818
TG (56:7)	37848	22265	38247	16678	5903	38701	13490	18644	2023	5236	6763	4119	6746	2613	3178	3528	4701	3972	4386	3310	2460	1589	2486	4866
TG (56:8)	2307	4179	2058	684	846	1767	1601	549	485	2119	2151	768	924	472	968	625	494	155	0	528	231	191	469	124
TG (58:1)	57646	20096	50936	56105	18918	51232	13716	24482	17012	21554	22051	21668	21533	6634	19181	11325	2806	19912	25934	9451	13958	7604	12243	17050
TG (58:2)	113632	39133	122130	100555	33730	124951	32088	51347	20458	28203	31203	31453	36909	10436	31156	15604	5381	41106	62691	16331	26509	11688	20797	33310
TG (58:3)	51637	18359	74229	57008	15068	71774	15681	25158	6523	8833	11648	11029	14199	3232	10830	5244	1906	12905	19229	5416	9178	4103	7570	12348
TG (58:4)	23249	9524	35258	26799	6774	31316	8595	13181	1888	2774	3679	3471	4361	1439	2707	1787	896	6948	13889	2041	4033	1621	2644	5324
TG (58:6)	13258	9386	21583	6652	4154	22749	4880	6169	2020	5841	5251	3203	1530	1420	3055	2578	1009	1791	1694	2877	986	711	2387	1857
TG (58:8)	2159	5868	3732	1626	808	3152	1419	1043	752	3593	3735	1278	2181	921	1923	1788	1066	2227	1798	1544	692	296	1431	1593
TG (58:9)	2842	3271	2412	1354	841	2910	1227	1934	645	1702	1681	765	1158	550	922	912	419	1411	950	898	857	327	749	859
TG (60:2)	71757	20833	64122	65046	19235	63352	15630	30352	17225	21000	22071	23316	27893	7474	23932	10975	2932	28053	39434	12571	19779	9243	16808	24506
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Identifier	Batch m/z	Batch RT	Adducts	InChi key	Comments
Acylcarnitine C16:0	1.58_400.34	400.342	1.71	[M+H]+	XOMRRQXKHMYMOC-OAQYLSRUSA-N	palmitoylcarnitine
Acylcarnitine C18:0	2.33_428.37	428.3727	2.46	[M+H]+	FNPHNLNTJNMAEE-UHFFFAOYSA-N	stearoylcarnitine
Acylcarnitine C18:1	1.73_426.36	426.3578	1.85	[M+H]+	HITOYGLMAFIRNI-YSESTWPTSA-N	oleylcarnitine
Acylcarnitine C18:2	1.33_424.34	424.3425	1.45	[M+H]+	MJLXQSQYKZWZCB-DQFWFXSYSA-N	linoleylcarnitine
CE (16:1)	10.33_645.56 _10.34_640.60	645.5581 _640.6032	10.546	[M+Na]+ _[M+NH4]+	HODJWNWCVNUPAQ-FSAOOAOSSA-N
CE (18:1)	10.85_673.59 _10.85_668.63	673.5894 _668.634	11.116	[M+Na]+ _[M+NH4]+	RJECHNNFRHZQKU-RMUVNZEASA-N
CE (18:2)	10.37_671.57 _10.37_666.62	671.5738 _666.6184	10.566	[M+Na]+ _[M+NH4]+	NAACPBBQTFFYQB-LJAITQKLSA-N
CE (18:3)	9.96_669.56 _9.96_664.60	669.5581 _664.6027	10.216	[M+Na]+ _[M+NH4]+	FYMCIBHUFSIWCE-WVXFKAQASA-N
CE (20:4)	10.13_695.57 +10.13_690.62	695.5738 _690.6184	10.217	[M+Na]+ _[M+NH4]+	IMXSFYNMSOULQS-BEDFLICRSA-N
Ceramide (d18:1/23:0)	7.94_636.63 _7.94_618.62 _7.94_658.61	636.6289 _618.6184 _658.6109	8.129	[M+H]+ _[M+H-H2O]+ _[M+Na]+	NAJHAHQNQCNWOP-PUYNVXOJSA-N
Ceramide (d40:1)	7.62_622.61 _7.62_604.60 _7.62_644.59	622.6133604.6027644.5952	7.813	[M+H]+ _[M+H-H2O]+ _[M+Na]+	KEPQASGDXIEOIL-GLQCRSEXSA-N
Ceramide (d42:1)	8.26_650.65 _8.26_632.63 _8.26_672.63	650.644 _6632.634 _672.6265	8.435	[M+H]+ _[M+H-H2O]+ _[M+Na]+	ZJVVOYPTFQEGPH-AUTSUKAISA-N
Ceramide (d42:2)	7.59_648.63 _7.59_630.62 _7.59_670.61	648.6289 _630.6184 _670.6109	7.781	[M+H]+ _[M+H-H2O]+ _[M+Na]+	VJSBNBBOSZJDKB-KPEYJIHVSA-N
Cholesterol	4.87_369.35	369.3516	4.977	[M-H2O+H]+	HVYWMOMLDIMFJA-DPAQBDIFSA-N
DG (32:1)	6.23_589.48 _6.23_584.52	589.4812 _584.5246	6.224	[M+Na]+ _[M+NH4]+	XEQQGHISHUGMIP-ASUORMEESA-N
DG (34:1)	6.85_617.51 _6.85_612.56	617.5116 _612.5562	7.058	[M+Na]+ _[M+NH4]+	YEJYLHKQOBOSCP-OZKTZCCCSA-N	noMSMS
DG (34:2)	6.36_615.50 _6.36_610.54	615.4965 _610.5411	6.355	[M+Na]+ _[M+NH4]+	SVXWJFFKLMLOHO-YAIZGCQRSA-N
DG (36:1)	7.56_640.59	640.588	7.55	[M+NH4]+	SAEPUUXWQQNLGN-LVVMQYBKSA-N
DG (36:2)	6.93_643.53 _6.93_638.57	643.5272 _638.5718	7.116	[M+Na]+ _[M+NH4]+	AFSHUZFNMVJNKX-LLWMBOQKSA-N	noMSMS
DG (36:3)	6.40_641.51 _6.40_636.56	641.5115 _636.5562	6.586	[M+Na]+ _[M+NH4]+	BLZVZPYMHLXLHG-JOBMVARSSA-N	noMSMS
DG (36:4)	5.91_639.50 _5.91_634.54	639.496 _634.5404	5.895	[M+Na]+ _[M+NH4]+	MQGBAQLIFKSMEM-ZHARMHCNSA-N
DG (38:3)	7.06_669.57 _7.06_664.59	669.5653 _664.588	7.052	[M+Na]+ _[M+NH4]+	ADXAWIIUCSQOAS-SMJOZILHSA-N
DG (38:5)	6.25_665.51 _6.25_660.56	665.5116 _660.5562	6.516	[M+Na]+ _[M+NH4]+	GRGDLDNREYVILP-CNWVQWJYSA-N	noMSMS
DG (38:6) A	5.71_663.50 _5.71_658.54	663.4959658.5405	6.016	[M+Na]+ _[M+NH4]+	YDVDXUYJFQLPEG-CTHJWPIASA-N	noMSMS
DG (38:6) B	6.02_663.49 _6.02_658.54	663.4935 _658.5404	6.015	[M+Na]+ _[M+NH4]+	BXVYQJJBMVVALQ-VVSMSMGFSA-N
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0)	4.80_862.624.80_884.61	862.625 _884.6069	4.894	[M+H]+ _[M+Na]+	HLIJNIKSBCIDGO-QKLMXXKVSA-N or HLIJNIKSBCIDGO-NLXPYQMASA-N
GlcCer (d40:1)	6.98_784.67 _6.98_766.66 _6.98_806.65	784.6661 _766.6555 _806.648	7.316	[M+H]+ _[M+H-H2O]+ _[M+Na]+	QMYGQSYNQBLKGY-YAEABVQUSA-N
GlcCer (d42:1)	7.63_812.70 _7.63_794.69 _7.63_834.68	812.69747 _94.6868 _834.6793	7.896	[M+H]+ _[M+H-H2O]+ _[M+Na]+	SNVYJLGKALMFOP-MOLROICHSA-N
GlcCer (d42:2)	6.96_810.68 _6.96_792.676.96_832.66	810.6817 _792.6711 _832.6636	7.125	[M+H]+ _[M+H-H2O]+ _[M+Na]+	WBOZIXHPUPAOIA-RBELZSLISA-N
LPC (14:0)	0.99_468.31	468.3089	1.011	[M+H]+	VXUOFDJKYGDUJI-OAQYLSRUSA-N
LPC (15:0)	1.20_482.33	482.3241	1.236	[M+H]+	RJZVWDTYEWCUAR-JOCHJYFZSA-N
LPC (16:0)	1.47_496.34	496.3395	1.62	[M+H]+	ASWBNKHCZGQVJV-HSZRJFAPSA-N
LPC (16:1)	1.09_494.32	494.3237	1.127	[M+H]+	LFUDDCMNKWEORN-ZXEGGCGDSA-N
LPC (18:0)	2.23_524.37	524.3708	2.344	[M+H]+	IHNKQIMGVNPMTC-RUZDIDTESA-N
LPC (18:1)	1.62_522.36 _1.56_544.34	522.3551 _544.3387	1.562	[M+H]+ _[M+Na]+	YAMUFBLWGFFICM-PTGWMXDISA-N
LPC (18:2)	1.23_520.34	520.3395	1.368	[M+H]+	SPJFYYJXNPEZDW-FTJOPAKQSA-N
LPC (20:0)	3.05_552.40	552.4021	3.158	[M+H]+	UATOAILWGVYRQS-HHHXNRCGSA-N
LPC (20:1)	2.37_550.39	550.3864	2.494	[M+H]+	GJTDRNFWIDPARY-GTPZACKGSA-N
LPC (20:2)	1.79_548.37	548.3708	1.944	[M+H]+	YYQVCMMXPIJVHY-ZOIJLGJPSA-N
LPC (20:4)	1.20_544.34	544.3403	1.33	[M+H]+	GOMVPVRDBLLHQC-VEJNOCSESA-N
LPC (o-16:0)	1.75_482.36	482.3606	1.782	[M+H]+	VLBPIWYTPAXCFJ-DEOSSOPVSA-N
LPC (p-16:0) or LPC (o-16:1)	1.68_480.35	480.3448	1.764	[M+H]+		either pPC 16:0 or oPC 16:1 the difference is where the double bond is located
LPC (p-18:0) or LPC (o-18:1)	1.91_508.38	508.3762	1.953	[M+H]+		either pPC 18:0 or oPC 18:1 the difference is where the double bond is located
PC (28:0)	4.22_678.51	678.5065	4.338	[M+H]+	CITHEXJVPOWHKC-UUWRZZSWSA-N
PC (30:0)	4.79_706.54	706.5378	4.927	[M+H]+	RFVFQQWKPSOBED-PSXMRANNSA-N
PC (30:1)	4.33_704.52	704.5225	4.421	[M+H]+	ANKCYRKQDLQXGL-MRDDHZETSA-N
PC (31:0)	5.12_720.56	720.5538	5.366	[M+H]+	NPGWXTIWUUFYAB-DIPNUNPCSA-N
PC (32:0)	5.40_734.57	734.5691	5.559	[M+H]+	KILNVBDSWZSGLL-KXQOOQHDSA-N
PC (32:1)	4.86_732.55	732.5535	4.994	[M+H]+	QIBZFHLFHCIUOT-NPBIGWJUSA-N
PC (32:2)	4.43_730.54	730.5378	4.537	[M+H]+	GPWHCUUIQMGELX-VHQDNGOZSA-N
PC (32:3)	4.79_728.52	728.5222	4.927	[M+H]+	UXEFXNOSLOCOLX-ZCHSEWAGSA-N	Possible M+Na of PC 30:0
PC (33:0)	5.63_748.59	748.5851	5.774	[M+H]+	FHENRYRLCPXONH-LDLOPFEMSA-N	2 conformations
PC (33:1)	5.16_746.57	746.57	5.319	[M+H]+	OFRWLQSOUIZELQ-VEAYGOGPSA-N
PC (33:2)	4.70_744.55	744.5541	4.82	[M+H]+	SBNDHGBVMZMSNL-UESLNCBNSA-N
PC (34:0)	6.05_762.60	762.6004	6.238	[M+H]+	PZNPLUBHRSSFHT-RRHRGVEJSA-N
PC (34:1)	5.52_760.59	760.5904	5.633	[M+H]+	WTJKGGKOPKCXLL-VYOBOKEXSA-N
PC (34:2)	5.04_758.58 _4.98_780.55	758.5751 _780.5535	5.143	[M+H]+ _[M+Na]+	JLPULHDHAOZNQI-ZTIMHPMXSA-N
PC (34:3)	4.60_756.56	756.5514	4.67	[M+H]+	VKVSSDKCKXJFIM-AFYHZPHLSA-N	3 conformations co-eluteing
PC (34:4)	4.37_754.54	754.5381	4.454	[M+H]+	YWDDIWXKFJEMKF-JTZVLWBESA-N
PC (35:1)	5.80_774.61	774.6007	5.94	[M+H]+	MFHIZGSSDZJFKD-IYEJTHTFSA-N	2 conformations
PC (35:2)	5.22_772.59	772.5854	5.434	[M+H]+	MJWAVUYQCBFFHQ-WESJWMGVSA-N	(2 conformations) noMSMS
PC (35:3)	4.86_770.57	770.5694	4.977	[M+H]+	AYXGHIQPMDYMJC-AHMBLZLYSA-N
PC (35:4)	4.63_768.55	768.5538	4.736	[M+H]+	OROZWUJCDDCYAU-IPUAOQJZSA-N
PC (36:1)	6.13_788.62	788.6161	6.312	[M+H]+	ATHVAWFAEPLPPQ-VRDBWYNSSA-N
PC (36:2)	5.64_786.60	786.6004	5.783	[M+H]+	SNKAWJBJQDLSFF-NVKMUCNASA-N
PC (36:3) A	5.07_784.59	784.5848	5.134	[M+H]+	BXRLDROZWDUSGM-ZRYFCQOPSA-N
PC (36:3) B	5.16_784.59	784.5848	5.384	[M+H]+	WZCLAXMADUBPSG-RIXBAXMTSA-
PC (36:4) A	4.64_782.57	782.5694	4.736	[M+H]+	NKQPOVROGSWLTO-NVPMBMBWSA-N
PC (36:4) B	4.91_782.57	782.5721	5.043	[M+H]+	IIZPXYDJLKNOIY-JXPKJXOSSA-N
PC (36:4) C	5.48_782.57	782.5691	5.625	[M+H]+	IIZPXYDJLKNOIY-JXPKJXOSSA-N
PC (36:5) A	4.27_780.56	780.5538	4.399	[M+H]+	SUZYROYNFNQALJ-MHEIZRSESA-N
PC (36:5) B	4.54_780.56	780.5538	4.719	[M+H]+	SUZYROYNFNQALJ-MHEIZRSESA-N
PC (37:2)	5.92_800.62	800.6161	6.138	[M+H]+	MCZUABDVGPPWPM-HJTCUGKVSA-N
PC (37:3)	5.48_798.60	798.6004	5.634	[M+H]+	OOYQEEUUQRMQKL-JUUDQZDJSA-N
PC (37:4)	5.22_796.59	796.5848	5.368	[M+H]+	QRPUCJXFPYFTMB-FBFLODOBSA-N
PC (38:2)	6.20_814.63	814.6317	6.526	[M+H]+	KXXLFCAPKGRXBT-FMJYHZMHSA-N
PC (38:3)	5.79_812.61	812.6137	6.066	[M+H]+	KNNHXKQRTYEWCA-HYYWERRFSA-N
PC (38:4) A	5.53_810.60	810.6004	5.834	[M+H]+	PSVRFUPOQYJOOZ-QNPWAGBNSA-N
PC (38:4) B	6.12_810.60	810.6004	6.312	[M+H]+	DNYKSJQVBCVGOF-LCKGXUDJSA-N
PC (38:5) A	4.97_808.58	808.5848	5.116	[M+H]+	SUACBSWYGWBPFC-GPUJSUHJSA-N
PC (38:5) B	5.14_808.59	808.5848	5.302	[M+H]+	YLWBKBDNHWQEFU-YJXJLLHLSA-N
PC (38:6) A	4.76_806.57	806.5691	4.894	[M+H]+	PLZBTDKJYHXIEW-DZUXOTHRSA-N
PC (38:7)	4.20_804.55	804.5538	4.413	[M+H]+	BNNUJTATKJXKJP-XCDHYEIISA-N
PC (39:6)	4.99_820.59	820.5851	5.216	[M+H]+	QMCWOGICYCFNBF-BWHZRABLSA-N	2 conformations
PC (40:4)	5.98_838.63	838.632	6.266	[M+H]+	FHUAYOMRHXZKHT-JUGJLYODSA-N
PC (40:5) A	5.57_8.36.61	836.6164	5.784	[M+H]+	IJTJDJOOHZVSAC-NDRUHXFFSA-N
PC (40:5) B	5.80_836.61	836.6164	6.034	[M+H]+	SFESOYFQZQJCOY-FXYWPAEZSA-N
PC (40:6) A	5.04_834.60	834.6007	5.267	[M+H]+	KZSXWBSDQDXESU-PPEVQBTRSA-N
PC (40:6) B	5.36_856.58	834.6007	5.584	[M+H]+	TYRTWVKQVGNGSZ-RGBTVBCDSA-N
PC (40:7)	4.82_832.59	832.5848	5.036	[M+H]+	BPUROMFCPFGBOT-ZEGPSQTJSA-N
PC (40:8)	4.41_830.57	830.5694	4.589	[M+H]+	SIMZOWLEIOYZJX-VRCXRDLJSA-N
PC (42:5)	6.05_864.65	864.645	6.266	[M+H]+	APYSSUSAYQRESE-VZWUYPTESA-N	(2 conformations)
PC (42:6)	5.76_862.63	862.6311	6.016	[M+H]+	DSVRMAGYENFTLY-GDDYDVMSSA-N
PC (42:7)	5.40_860.61 _5.40_882.59	860.6122 _882.5949	5.415	[M+H]+ _[M+Na]+	FYVDGOCCFDKYOR-OEQCKVCZSA-N
PC (o-32:0)	5.80_720.59	720.5902	5.98	[M+H]+	SVWBXNAUENUONE-LDLOPFEMSA-N	oPC (32:0)
PC (o-34:0)	6.44_748.62	748.6204	6.644	[M+H]+	ZKTXOJMFIAILJG-VQJSHJPSSA-N	oPC (34:0)
PC (p-32:0) or PC (o-32:1)	5.69_718.57	718.5745	5.857	[M+H]+		pPC (32:0) or oPC (32:1)
PC (p-34:0) or PC (o-34:1)	5.88_746.60	746.6058	6.03	[M+H]+		pPC (34:0) or oPC (34:1)
PC (p-34:1) or PC (o-34:2) A	5.36_744.59	744.5908	5.526	[M+H]+		pPC (34:1) or oPC (34:2)
PC (p-34:1) or PC (o-34:2) B	5.79_744.58	744.5908	5.956	[M+H]+		pPC (34:1) or oPC (34:2)
PC (p-34:2) or PC (o-34:3)	5.27_742.58	742.5745	5.426	[M+H]+		oPC (34:3) or pPC (34:2) depends on double bond placement
PC (p-36:1) or PC (o-36:2)	6.02_772.62	772.6215	6.266	[M+H]+		pPC (36:1) or oPC (36:2), 2 conformations
PC (p-36:2) or PC (o-36:3)	5.48_770.61	770.6058	5.684	[M+H]+		pPC (36:2) or oPC (36:3), 2 conformations
PC (p-36:3) or PC (o-36:4)	5.28_768.59	768.5902	5.418	[M+H]+		pPC (36:4) or oPC (36:3)
PC (p-36:4) or PC (o-36:5)	5.19_766.58	766.5759	5.318	[M+H]+		pPC (36:4) or oPC (36:5)
PC (p-38:3) or PC (o-38:4)	5.91_796.62	796.6215	6.166	[M+H]+		pPC (38:3) or oPC (38:4)
PC (p-38:4) or PC (o-38:5) A	5.31_794.60	794.6058	5.468	[M+H]+		pPC (38:4) or oPC (38:5)
PC (p-38:4) or PC (o-38:5) B	5.80_794.61	794.6054	6.116	[M+H]+		pPC (38:4) or oPC (38:5)
PC (p-38:5) or PC (o-38:6)	5.12_792.59	792.5902	5.466	[M+H]+		pPC (38:5) or oPC (38:6)
PC (p-40:1) or PC (o-40:2)	6.64_828.68	828.6842	6.906	[M+H]+
PC (p-40:4) or PC (o-40:5)	5.92_822.64	822.6371	6.216	[M+H]+		pPC (40:4) oPC (40:5)
PC (p-40:5) or PC (o-40:6)	5.71_820.62	820.6215	5.986	[M+H]+		pPC (40:5) oPC (40:6)
PC (p-40:6) or PC (o-40:7) A	5.18_818.60	818.6058	5.334	[M+H]+		pPC (40:6) or oPC (40:7)
PC (p-40:6) or PC (o-40:7) B	5.60_818.60	818.6058	5.834	[M+H]+		pPC (40:6) or oPC (40:7)
PC (p-42:3) or PC (o-42:4)	7.21_852.69	852.6859	7.476	[M+H]+		pPC (42:3) or oPC (42:4)
PC (p-42:4) or PC (o-42:5)	6.56_850.67	850.669	6.826	[M+H]+		pPC (42:4) or oPC (42:5)
PC (p-42:5) or PC (o-42:6)	6.01_848.65	848.651	6.266	[M+H]+		pPC (42:5) or oPC (42:6)
PC (p-44:4) or PC (o-44:5)	7.17_878.70	878.6997	7.446	[M+H]+		pPC (44:4) or oPC (45:5)
PE (34:2)	5.17_716.53	716.5252	5.318	[M+H]+	HBZNVZIRJWODIB-NHCUFCNUSA-N	Has 184 frag
PE (34:3)	4.64_714.51 _4.64_736.49	714.507 _736.4896	4.62	[M+H]+ _[M+Na]+	SSRRIJSEUKHYFB-DFCPKGTFSA-N
PE (36:1)	6.32_746.57	746.57	6.596	[M+H]+	JQKOHRZNEOQNJE-ZZEZOPTASA-N
PE (38:4)	5.70_768.56 _5.74_790.54	768.556 _790.5391	5.72	[M+H]+ _[M+Na]+	ANRKEHNWXKCXDB-BHFWLYLHSA-N
PE (38:6)	4.91_764.52	764.5235	5.043	[M+H]+	LFGBKOUQHCWBQI-BZGLIJSBSA-N
PE (40:7)	4.98_790.54	790.5399	4.956	[M+H]+	JZSZAGWWWKKXLO-RMEBTJIYSA-N
PE (p-36:2) or PE (o-36:3)	6.13_728.56	728.5596	6.312	[M+H]+		pPE (36:2) or oPC (36:3)
PE (p-36:4) or PE (o-36:5)	5.36_724.53	724.5284	5.51	[M+H]+		pPE (36:4) or oPC (36:5)
PE (p-38:4) or PE (o-38:5)	6.01_752.56	752.559	6.196	[M+H]+		pPE (38:4) or oPC (38:5)
PE (p-38:5) or PE (o-38:6)	5.41_750.54	750.5437	5.654	[M+H]+		pPE (38:5) or oPC (38:6)
PE (p-40:5) or PE (o-40:6)	6.03_778.57	778.574	6.296	[M+H]+		pPE (40:5) or oPC (40:6)
SM (d32:1)	4.13_675.54	675.5439	4.247	[M+H]+	KYICBZWZQPCUMO-PSALXKTOSA-N
SM (d33:1)	4.42_689.56	689.5592	4.537	[M+H]+	LQINJRUGTUOHGS-YPDYIYJKSA-N
SM (d34:0)	4.94_727.57	705.5905	5.076	[M+H]+	QHZIGNLCLJPLCU-QPPIDDCLSA-N
SM (d34:1)	4.72_703.58	703.5773	4.836	[M+H]+	RWKUXQNLWDTSLO-GWQJGLRPSA-N
SM (d34:2)	4.23_701.56	701.5602	4.346	[M+H]+	YLWSJLLZUHSIEA-CKSUKHGVSA-N
SM (d36:0)	5.61_733.62	733.6218	5.741	[M+H]+	JCELSEVNSMXGKA-IOLBBIBUSA-N
SM (d36:1)	5.35_731.61	731.608	5.517	[M+H]+	LKQLRGMMMAHREN-YJFXYUILSA-N
SM (d36:2)	4.82_729.59	729.5917	4.953	[M+H]+	NBEADXWAAWCCDG-QDDWGVBQSA-N
SM (d37:1)	5.72_745.62	745.6218	5.934	[M+H]+	HAFQHLHNPJDAGB-MAJDXUCPSA-N
SM (d38:0)	6.29_761.65	761.6531	6.546	[M+H]+	UGRZESKDAPEULH-ACEXITHZSA-N
SM (d38:1)	6.02_759.64	759.6387	6.221	[M+H]+	AADLTHQNYQJHQV-SVLGDMRNSA-N
SM (d38:2)	5.46_757.62	757.6213	5.609	[M+H]+	MDRFMTLYKHBJTF-NQYLGBTJSA-N
SM (d39:1)	6.37_773.65	773.6527	6.561	[M+H]+	YXSZOBWVQJIWNE-LUJNSPTCSA-N
SM (d40:0)	6.96_789.68	789.6844	7.125	[M+H]+	FONAXCRWZQFJHY-JCGOJSMZSA-N
SM (d40:1)	6.69_787.67	787.6704	6.884	[M+H]+	FJJANLYCZUNFSE-QVMKKYBKSA-N
SM (d40:2) A	6.01_785.66	785.6531	6.204	[M+H]+ A	FOULCGVQZYQEQM-DNXGLLHMSA-N
SM (d40:2) B	6.12_785.66	785.6531	6.312	[M+H]+ B	VBFKEZGCUWHGSK-ADSSWVSQSA-N
SM (d41:1)	6.90_801.68	801.6827	7.216	[M+H]+	SXZWBNWTCVLZJN-NMIJJABPSA-N
SM (d41:2)	6.34_799.67	799.6686	6.627	[M+H]+	JBDGKEXQKCCQFK-JWQIMADESA-N	2 conformations
SM (d42:0)	7.61_817.72	817.7157	7.771	[M+H]+	SMJLGESYPKPRNU-CRCOQUFZSA-N
SM (d42:1)	7.35_815.70	815.7012	7.54	[M+H]+	QEDPUVGSSDPBMD-XTAIVQBESA-N
SM (d42:2) A	6.67_813.69	813.6873	6.851	[M+H]+ A	DACOGJMBYLZYDH-GXJPFUDISA-N
SM (d42:2) B	6.79_813.69	813.6857	7.066	[M+H]+ B	DACOGJMBYLZYDH-GXJPFUDISA-N
SM (d42:3)	6.11_811.67	811.6664	6.296	[M+H]+	TXFLWJQVQCDUDZ-BRUGZULGSA-N
SM (d43:1)	7.55_829.71	829.7157	7.763	[M+H]+	LXMARZYBSFYVSY-KUQVZNNZSA-N
SM (d43:2)	6.99_827.70	827.7001	7.174	[M+H]+ B	BJXQFQDUJVIUAH-XSFBYAMLSA-N
SM (d44:2)	7.31_841.72	841.7157	7.586	[M+H]+	YXEXWUZHFGYOHJ-UOJCCMJYSA-N
TG (14:0/14:0/14:0)	9.43_745.63 _9.43_740.68	745.6317 _740.6763	9.496	[M+Na]+ _[M+NH4]+	DUXYWXYOBMKGIN-UHFFFAOYSA-N
TG (42:1)	8.95_743.62 _8.95_738.66	743.6162 _738.6606	8.933	[M+Na]+ _[M+NH4]+	PMWOTNASJLOLJE-BNQAGZCGSA-N
TG (46:0)	10.36_796.74	796.7389	10.449	[M+NH4]+	JWVXCFSNEOMSHH-UHFFFAOYSA-N
TG (46:1)	9.93_799.68 _9.93_794.72	799.6786 _794.7232	10.01	[M+Na]+ _[M+NH4]+	RSDIQTNCDWUNDP-VHXPQNKSSA-N
TG (46:2)	9.50_797.66 _9.50_792.71	797.663 _792.7076	9.578	[M+Na]+ _[M+NH4]+	XUEMVUXNOCIHLG-MOFPORNTSA-N
TG (48:0)	10.81_829.73 _10.81_824.77	829.7256 _824.7702	11.016	[M+Na]+ _[M+NH4]+	PVNIQBQSYATKKL-UHFFFAOYSA-N
TG (48:1)	10.38_827.71 _10.38_822.75	827.7099 _822.7545	10.466	[M+Na]+ _[M+NH4]+	FEKLSEFRUGWUOS-DLOIZKPKSA-N
TG (48:2)	9.98_825.69 _9.98_820.74	825.6943 _820.7389	10.059	[M+Na]+ _[M+NH4]+	RUOVJPPUXXFZPC-YZEIBMOJSA-N
TG (48:3)	9.53_823.68 _9.53_818.72	823.6789 _818.7232	9.612	[M+Na]+ _[M+NH4]+	SKGWNZXOCSYJQL-BUTYCLJRSA-N
TG (49:0)	10.96_843.74 _10.96_838.79	843.7412 _838.7858	11.092	[M+Na]+ _[M+NH4]+	TTWJTJMWHOYBPQ-ANFMRNGASA-N
TG (49:1)	10.59_841.73 _10.59_836.77	841.7256 _836.7702	10.665	[M+Na]+ _[M+NH4]+	VYYGQDOPVVYUKW-UKFBYESTSA-N
TG (49:2)	10.18_839.71 _10.18_834.76	839.7118 _834.7545	10.242	[M+Na]+ _[M+NH4]+	QZYSUBAQYSVFNX-PSMULLBHSA-N
TG (49:3)	9.80_837.69 _9.79_832.74	837.6943 _832.7389	9.86	[M+Na]+ _[M+NH4]+	DIGMYZZFQSIQBD-PNLKURBTSA-N
TG (50:0)	11.20_857.76 _11.20_852.80	857.7569 _852.8015	11.278	[M+Na]+ _[M+NH4]+	MARPCPMDFOPPJX-UHFFFAOYSA-N
TG (50:1)	10.80_855.7 _410.80_850.79	855.7412 _850.7858	10.888	[M+Na]+ _[M+NH4]+	YHMDGPZOSGBQRH-YYSBDVFPSA-N
TG (50:2)	10.41_853.73 _10.41_848.77	853.7256 _848.7702	10.49	[M+Na]+ _[M+NH4]+	QEZWFCZNHWUARW-XQCAQTCHSA-N
TG (50:3)	10.01_851.71 _10.01_846.76	851.7099 _846.7545	10.084	[M+Na]+ _[M+NH4]+	UFHNZOACKFBCOM-YXKNDSBASA-N
TG (50:4)	9.61_849.69 _9.61_844.74	849.6943 _844.7389	9.695	[M+Na]+ _[M+NH4]+	PVMBAGXWHHZKFP-JMPJWMFJSA-N
TG (51:1)	10.93_869.76 _10.93_864.80	869.7569 _864.8015	11.022	[M+Na]+ _[M+NH4]+	OZAXLAGNPZMZAD-BOEMPQCLSA-N	(2 conformations)
TG (51:2)	10.61_867.74 _10.61_862.79	867.7412 _862.7858	10.69	[M+Na]+ _[M+NH4]+	NSNSZGBCOIKUBU-SZOKBDNISA-N
TG (51:3)	10.23_865.73 _10.23_860.77	865.7256 _860.7702	10.316	[M+Na]+ _[M+NH4]+	ISSGPXMQOMAFMJ-DMGKHJLRSA-N
TG (51:4)	9.85_863.71 _9.85_858.75	863.7099 _858.753	9.943	[M+Na]+ _[M+NH4]+	IIRQXNVLAXQEKB-KBEZCZBDSA-N
TG (52:0)	11.56_885.79 _11.56_880.83	885.7882 _880.8328	11.687	[M+Na]+ _[M+NH4]+	SDNYRTVJOFMYIW-OIVUAWODSA-N
TG (52:1)	11.20_883.77 _11.20_878.82	883.7725 _878.8171	11.286	[M+Na]+ _[M+NH4]+	NPCZZYKITFKRQZ-RFBIWTDZSA-N	TG(18:0/16:0/18:1)
TG (52:2)	10.88_881.76 _10.88_876.80	881.7569 _876.8015	10.897	[M+Na]+ _[M+NH4]+	TXMWKTABZBAJCW-QLHBUVOUSA-N
TG (52:3)	10.46_879.74 _10.46_874.79	879.7412 _874.7858	10.54	[M+Na]+ _[M+NH4]+	DQXQIWIQYYEGLG-MMWLGPPDSA-N
TG (52:4)	10.09_877.73 _10.09_872.77	877.7256 _872.7702	10.167	[M+Na]+ _[M+NH4]+	WHSWXEYWNPTUPW-HNJDVRDNSA-N	2 conformations
TG (52:5)	9.71_875.71 _9.71_870.76	875.7099 _870.7545	9.794	[M+Na]+ _[M+NH4]+	CQZAAIKPSLHIBC-KDJOUNIJSA-N	(2 conformations)
TG (53:1)	11.35_897.79 _11.35_892.83	897.7882 _892.8328	11.516	[M+Na]+ _[M+NH4]+	WWJIBIGWKGFVAQ-JNSYTQKUSA-N
TG (53:2)	11.00_895.77 _11.00_890.82	895.7725 _890.8171	11.079	[M+Na]+ _[M+NH4]+	RSINITWKVQRWSZ-RFVLVDBCSA-N
TG (53:3)	10.64_893.76 _10.64_888.80	893.7569 _888.8015	10.866	[M+Na]+ _[M+NH4]+	ZNQBEJJYVJSZLM-LEDQTTRKSA-N
TG (53:4)	10.31_891.74 _10.31_886.79	891.7412 _886.7858	10.476	[M+Na]+ _[M+NH4]+	BMSDHYZLQWTKSQ-LSJAAEOESA-N
TG (53:5)	9.86_889.73 _9.86_884.77	889.7256 _884.7702	10.066	[M+Na]+ _[M+NH4]+	QHYAATSKYBYSLG-BXDFBOBBSA-N
TG (54:1)	11.56_911.80 _11.56_906.85	911.8038 _906.8484	11.687	[M+Na]+ _[M+NH4]+	YFFIQXNTTVSKJC-NZEOUKRFSA-N
TG (54:2)	11.20_909.79 _11.20_904.83	909.7882 _904.8328	11.286	[M+Na]+ _[M+NH4]+	WUUWGORPQFKFQN-XDVOZUNOSA-N
TG (54:3)	10.84_907.77 _10.84_902.82	907.7725 _902.8171	10.923	[M+Na]+ _[M+NH4]+	PHYFQTYBJUILEZ-IUPFWZBJSA-N
TG (54:4)	10.48_905.7610.48_900.80	905.7569 _900.8015	10.557	[M+Na]+ _[M+NH4]+	BRLGHZXETDWABO-NOFIOOQLSA-N
TG (54:5) A	10.10_903.74 _10.10_898.79	903.7412 _898.7858	10.266	[M+Na]+ _[M+NH4]+	VVEBTVMJPTZDHO-YQFZQLSNSA-N	possible (18:1/18:2/18:2)
TG (54:5) B	10.32_903.74 _10.32_898.79	903.7412 _898.7858	10.466	[M+Na]+ _[M+NH4]+	OEJXMJPFOHYSIU-GRLFFVHSSA-N
TG (54:6) A	9.70_901.73 _9.70_896.77	901.7256 _896.7702	9.886	[M+Na]+ _[M+NH4]+	HBOQXIRUPVQLKX-BBWANDEASA-N	possible(18:2/18:2/18:2)
TG (54:6) B	9.95_901.73 _9.95_896.77	901.7256 _896.7702	10.116	[M+Na]+ _[M+NH4]+	CDNDFDKFZBPPFW-AXJGXPKFSA-N
TG (54:7) A	9.40_899.71 _9.40_894.75	899.7101 _894.7533	9.384	[M+Na]+ _[M+NH4]+	GBDGUGNAHCFRDF-HCMATFEHSA-N
TG (54:7) B	9.67_899.71 _9.68_894.75	899.7117 _894.753	9.663	[M+Na]+ _[M+NH4]+	RTHDUZGGPUMUEU-LTQCMFPBSA-N
TG (55:1)	11.71_925.82 _11.71_920.86	925.8171 _920.8633	11.687	[M+Na]+ _[M+NH4]+	ZYVNTODVJDOUDW-HTHROTNSSA-N
TG (55:2)	11.43_923.8011.43_918.85	923.7983 _918.8456	11.414	[M+Na]+ _[M+NH4]+	SYUSUQJTEKOQOE-JDIAMVNZSA-N
TG (55:3)	11.08_921.79 _11.08_916.83	921.7858 _916.8299	11.064	[M+Na]+ _[M+NH4]+	AFJMFAQYZRZRJI-TYSGSQAUSA-N
TG (56:1)	11.85_939.84 _11.85_934.88	939.8351 _934.8797	11.961	[M+Na]+ _[M+NH4]+	OCYFAHIHWCVZKS-FHSLLVMSSA-N
TG (56:2)	11.56_937.82 _11.56_932.86	937.8195 _932.8641	11.687	[M+Na]+ _[M+NH4]+	PDEQUPGHMOMBFC-FYEHETCMSA-N
TG (56:3)	11.20_935.80 _11.20_930.85	935.8038 _930.8484	11.286	[M+Na]+ _[M+NH4]+	QXMHHXQBBKDSSL-BAQZNRHJSA-N	probable (18:1/18:1/20:1)
TG (56:4)	10.88_933.79 _10.88_928.83	933.7882 _928.8328	11.066	[M+Na]+ _[M+NH4]+	YONCDTJKIZDSKQ-IYASBODOSA-N
TG (56:5)	10.77_931.77 _10.77_926.82	931.7725 _926.8171	10.936	[M+Na]+ _[M+NH4]+	UHEJWASONFIROS-YPSHDQQVSA-N
TG (56:6)	10.32_929.76 _10.32_924.80	929.7569 _924.8015	10.536	[M+Na]+ _[M+NH4]+	ZTNDRFCABXFVMY-WJTCTALZSA-N
TG (56:7)	9.96_927.74 _9.96_922.79	927.7412 _922.7858	10.126	[M+Na]+ _[M+NH4]+	DODZUDCYRVWEOJ-GKZBLMSTSA-N	possible (16:0/18:1/20:5)
TG (56:8)	9.76_925.73 _9.76_920.77	925.7256 _920.7702	9.946	[M+Na]+ _[M+NH4]+	UBGUHMDKBGQUND-VPFWBQFRSA-N
TG (58:1)	11.99_967.87 _11.99_962.91	967.8664 _962.911	12.102	[M+Na]+ _[M+NH4]+	OWZMHFAFGQCCNI-FBXRAONGSA-N
TG (58:2)	11.85_965.85 _11.85_960.90	965.8508 _960.8954	11.961	[M+Na]+ _[M+NH4]+	NFQQJRGJJVQGAV-MEADVOAOSA-N
TG (58:3)	11.58_963.84 _11.58_958.88	963.8351 _958.8797	11.712	[M+Na]+ _[M+NH4]+	RFMSTHTUAZETPD-JJPHLYBUSA-N
TG (58:4)	11.22_961.82 _11.22_956.86	961.8195 _956.8641	11.386	[M+Na]+ _[M+NH4]+	CCKRHDUCFMOBKX-AAINFQTBSA-N
TG (58:6)	10.65_957.79 _10.65_952.83	957.7882 _952.8328	10.836	[M+Na]+ _[M+NH4]+	GSNFRUMSEHHPSY-LCXCSEBNSA-N
TG (58:8)	10.15_953.76 _10.15_948.80	953.7569 _948.8015	10.466	[M+Na]+ _[M+NH4]+	KWIGMCRWEINBIR-HUPVKWKYSA-N
TG (58:9)	9.79_951.74 _9.79_946.79	951.7412 _946.7858	9.966	[M+Na]+ _[M+NH4]+	RVXFSLZMZOFGEQ-SWIIBWKZSA-N
TG (60:2)	11.99_993.88 _11.99_988.93	988.9267 _993.8821	12.102	[M+Na]+ _[M+NH4]+	QPNVLDQSHXVPMG-JMYPUKFOSA-N
METABOLITES_END
#END