#METABOLOMICS WORKBENCH michaelsa93_20151130_9118901_mwtab.txt DATATRACK_ID:440 efahy_20160119_131540 STUDY_ID:ST000329 ANALYSIS_ID:AN000525 PROJECT_ID:PR000264
VERSION             	1
CREATED_ON             	January 15, 2016, 12:53 pm
#PROJECT
PR:PROJECT_TITLE                 	Minimal change disease and focal segmental sclerosis in urine
PR:PROJECT_SUMMARY               	This study will investigate if urine metabolomics can help understand the
PR:PROJECT_SUMMARY               	pathophysiology of glomerular diseases.
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                   	Minimal change disease and focal segmental sclerosis in urine
ST:STUDY_SUMMARY                 	This study will investigate if urine metabolomics can help understand the
ST:STUDY_SUMMARY                 	pathophysiology of glomerular diseases.
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                	60
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	2	Sample type:MCD	
SUBJECT_SAMPLE_FACTORS           	-	3	Sample type:MCD	
SUBJECT_SAMPLE_FACTORS           	-	4	Sample type:MCD	
SUBJECT_SAMPLE_FACTORS           	-	5	Sample type:MCD	
SUBJECT_SAMPLE_FACTORS           	-	6	Sample type:MCD	
SUBJECT_SAMPLE_FACTORS           	-	7	Sample type:MCD	
SUBJECT_SAMPLE_FACTORS           	-	8	Sample type:MCD	
SUBJECT_SAMPLE_FACTORS           	-	9	Sample type:MCD	
SUBJECT_SAMPLE_FACTORS           	-	10	Sample type:MCD	
SUBJECT_SAMPLE_FACTORS           	-	11	Sample type:MCD	
SUBJECT_SAMPLE_FACTORS           	-	12	Sample type:MCD	
SUBJECT_SAMPLE_FACTORS           	-	13	Sample type:FSGS	
SUBJECT_SAMPLE_FACTORS           	-	14	Sample type:FSGS	
SUBJECT_SAMPLE_FACTORS           	-	15	Sample type:FSGS	
SUBJECT_SAMPLE_FACTORS           	-	16	Sample type:FSGS	
SUBJECT_SAMPLE_FACTORS           	-	17	Sample type:FSGS	
SUBJECT_SAMPLE_FACTORS           	-	18	Sample type:FSGS	
SUBJECT_SAMPLE_FACTORS           	-	19	Sample type:FSGS	
SUBJECT_SAMPLE_FACTORS           	-	20	Sample type:FSGS	
SUBJECT_SAMPLE_FACTORS           	-	22	Sample type:FSGS	
SUBJECT_SAMPLE_FACTORS           	-	23	Sample type:Control	
SUBJECT_SAMPLE_FACTORS           	-	24	Sample type:Control	
SUBJECT_SAMPLE_FACTORS           	-	25	Sample type:Control	
SUBJECT_SAMPLE_FACTORS           	-	26	Sample type:Control	
SUBJECT_SAMPLE_FACTORS           	-	27	Sample type:Control	
SUBJECT_SAMPLE_FACTORS           	-	28	Sample type:Control	
SUBJECT_SAMPLE_FACTORS           	-	29	Sample type:Control	
SUBJECT_SAMPLE_FACTORS           	-	30	Sample type:Control	
SUBJECT_SAMPLE_FACTORS           	-	31	Sample type:Control	
SUBJECT_SAMPLE_FACTORS           	-	32	Sample type:Control	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
CO:SAMPLE_TYPE                   	Urine
#TREATMENT
TR:TREATMENT_SUMMARY             	There are 12 patient urines with minimal change disease (MCD), 9 patient urines
TR:TREATMENT_SUMMARY             	with focal segmental sclerosis (FSGS), and 10 urines from healthy controls
TR:TREATMENT_PROTOCOL_FILENAME   	StudyDesign-ElifErkan-102414.pdf
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
SP:SAMPLEPREP_PROTOCOL_FILENAME  	.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	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20	22	23	24	25	26	27	28	29	30	31	32
Factors	Sample type:MCD	Sample type:MCD	Sample type:MCD	Sample type:MCD	Sample type:MCD	Sample type:MCD	Sample type:MCD	Sample type:MCD	Sample type:MCD	Sample type:MCD	Sample type:MCD	Sample type:FSGS	Sample type:FSGS	Sample type:FSGS	Sample type:FSGS	Sample type:FSGS	Sample type:FSGS	Sample type:FSGS	Sample type:FSGS	Sample type:FSGS	Sample type:Control	Sample type:Control	Sample type:Control	Sample type:Control	Sample type:Control	Sample type:Control	Sample type:Control	Sample type:Control	Sample type:Control	Sample type:Control
Acylcarnitine C10:0	19509	2117	31	28	25084	30634	18373	33	38	9399	3415	1780	14787	22036	36	34533	2789	14538	19	4690	4791	7300	17485	14432	14002	22355	219	473	8950	92317
Acylcarnitine C12:0	7233	4228	3874	5675	33267	67237	11674	2820	3296	16414	16252	5324	800	6660	365	11707	506	3331	3864	2026	1841	4669	6586	4032	852	3131	128	2832	581	8822
Acylcarnitine C16:0	1422	633	691	504	13865	17851	2943	2016	1017	1364	6700	1543	69	1584	160	2591	1005	813	7513	993	53	432	405	246	123	262	165	783	156	493
Acylcarnitine C18:0	1095	439	579	391	8951	5292	1688	1046	998	615	3532	1098	213	1717	186	1339	955	1239	4709	635	282	836	447	5649	219	381	364	853	211	642
Acylcarnitine C18:1	1255	213	1071	92	16075	18378	3862	2276	586	986	9270	888	222	790	86	2935	817	123	16053	703	134	149	164	247	215	68	384	411	262	154
Acylcarnitine C18:2	1651	268	1456	416	17367	19550	6464	4077	569	1479	12979	1414	902	840	187	5080	858	722	14629	1448	188	135	187	260	154	130	161	386	108	168
CE (18:1)	5239	1660	2458	1016	24148	6259	2919	11916	30232	2842	27487	28849	13808	7345	1106	3513	1976	16937	399379	2952	1175	2019	1985	1791	2002	1267	7371	3133	1150	1429
CE (18:2)	47552	7160	3727	2434	107218	41509	19226	84110	106454	22334	157348	31721	88767	28760	2421	11454	17513	46858	1397179	20538	1883	12146	10503	3607	7971	4844	68614	20562	2105	2587
CE (20:4)	8577	1368	674	531	15939	6473	4175	13543	8522	3349	21310	5286	15618	4287	524	4185	3594	9063	492626	3925	390	1525	1630	603	2448	1108	10536	2982	586	938
CE (22:6)	156	164	281	152	3518	1485	549	183	1973	103	5149	23527	2405	785	192	671	349	3661	218801	830	179	467	463	479	437	239	910	389	167	310
Ceramide (d18:1/23:0)	993	683	702	501	5261	2589	1177	1755	1544	561	3246	1198	1122	1139	479	841	585	1146	40683	887	569	882	789	913	637	856	1749	944	426	5967
Ceramide (d40:1)	3428	1846	1969	1745	21467	11225	3951	5819	6043	2130	11412	5214	3218	4843	1434	3504	2103	4367	128100	2437	1342	1914	2199	2453	1171	3914	4518	3996	1509	12769
Ceramide (d42:1)	2559	1266	1832	1045	12122	6937	3698	5841	4330	1843	7844	3445	2620	3535	1023	2198	1637	2910	154800	3042	1340	1739	1718	2022	1121	2330	3922	3008	1075	11152
Ceramide (d42:2)	1794	711	1362	503	12459	4775	2912	3511	2655	1091	8939	2611	1139	2505	881	1956	1424	1863	256692	997	568	1316	1522	912	658	1516	1086	1440	601	4409
Cholesterol	24678	17349	13525	21613	32728	33395	23412	22706	31741	23175	32179	29687	19380	30276	9507	21378	24380	28452	20556	15688	15745	26499	25097	21409	15714	26373	21914	29480	16776	27127
DG (34:1)	1556	695	635	1309	7438	9278	1554	1252	4390	1352	3464	2862	1912	2712	812	1005	1200	1214	90231	946	1009	1197	1774	1336	2237	1525	2102	1943	930	8063
DG (34:2)	2271	105	834	1271	10857	11497	2439	1890	4075	1347	6955	3414	2185	2347	826	1403	1972	969	94669	378	752	193	1358	993	1486	1437	1787	1835	140	6122
DG (36:2) A	949	452	495	1051	4201	5415	1008	865	1776	866	2117	2021	1441	1361	1807	503	920	622	152867	726	638	798	1113	729	1363	1011	1317	1410	423	6464
DG (36:2) B	404		99	65	510	2246	155	123	899	107	604	274	389	324	579	60	231	173	66549			210	226	106	283	358	373	464	75	2367
DG (36:2) C	1353	452	594	1116	4711	7661	1163	988	2675	973	2721	2295	1830	1685	2386	563	1151	795	219416	726	638	1008	1339	835	1646	1369	1690	1874	498	8831
DG (36:3) A	594	342	222	380	3726	3275	443	664	1401	421	1784	1040	774	866	289	609	1192	490	183508	521	332	324	538	246	576	421	759	704	389	3695
DG (36:3) B	283	162	125	170	1536	1314	354	379	806	246	867	518	544	329	201	305	670	252	105436	309	153	156	400	210	320	389	445	434	188	1870
DG (36:3) C	877	504	347	550	5262	4589	797	1043	2207	667	2651	1558	1318	1195	490	914	1862	742	288944	830	485	480	938	456	896	810	1204	1138	577	5565
DG (38:5) A	514			3823	7857	5020		1148	6144	3366			513	4900	462				10682	88										354
DG (38:5) B	380	124	159	199	2246	2198	114	273	728	374	73	150	137	192	184	241	106	317	11996	182	123	111	165	109	235	473	85	216	82	79
DG (38:5) C	894	124	159	4022	10103	7218	114	1421	6872	3740	73	150	650	5092	646	241	106	317	22678	270	123	111	165	109	235	473	85	216	82	433
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0)	2411	3248	6195	1508	6794	4835	25286	3262	2448	852	6099	2160	3776	1849	3070	2452	1397	2809	54197	1699	673	1641	17065	7302	794	1978	2488	2424	735	510
GlcCer (d40:1)	1775	2278	1223	1331	28737	27906	1605	1109	8114	3277	4703	6522	624	3755	529	1345	4825	4106	57837	703	2880	5654	2283	2949	897	8515	3608	5930	1005	6140
GlcCer (d42:1)	6155	4777	3031	4876	70996	64879	6850	7583	19780	7916	14748	21139	5672	9098	710	3431	13092	10666	130943	2394	6874	12984	8709	11238	3347	28240	8777	12468	2727	11960
GlcCer (d42:2)	8421	4570	2654	6808	56851	61704	4318	2381	39988	4993	14640	13860	4019	18400	511	1312	8046	8726	72723	676	3185	15349	7187	4085	6202	9238	5733	18230	5675	8862
Lactosylceramide (d18:1/24:1(15Z))	856	584	896	836	8081	6520	3331	562	1361	401	1194	1343	367	496	539	565	1103	610	17703	233	335	736	2751	1393	596	1678	835	1469	432	358
LPC (14:0)	639	1396	1124	298	4672	796	333	997	382	156	1538	170	2231	1871	115	5036	696	1038	20825	239	329	477	161	61	149	1398	130	565	182	3057
LPC (16:0)	7974	2746	4872	557	60151	35354	13470	11366	5053	4245	101934	6812	8143	5721	875	16118	2797	10864	6981332	22659	775	1084	1186	881	3553	796	3349	2738	801	2249
LPC (18:0)	2257	1486	2280	714	17129	11121	6764	5988	2602	2093	20964	2597	3934	2170	882	5604	1470	6297	4451688	8407	912	1408	1419	1217	2240	1174	2628	2913	1065	1658
LPC (18:1)	2255	830	1161	117	18126	7226	4635	3452	1249	1172	35940	3299	6840	1632	205	52055	1000	1633	2309346	26147	318	413	430	779	1174	235	766	751	335	649
LPC (18:2)	6868	540	897	280	32529	7613	3028	4471	1416	1211	70287	2106	9328	1205	311	39538	2379	1089	1703348	43246	117	319	216	350	553	198	740	464	274	491
LPC (20:4)	4343	459	527	266	15330	5724	1128	1927	573	600	17387	1754	3648	894	64	37435	1368	616	946554	15371	137	275	57	335	334	253	323	218	139	589
LPC (o-16:0)	286	150	173	51	22237	463	816	114	99	130	1494	81	227	184	57	199	228	331	71763	401	84	180	120	822	79	92	81	92	322	429
PC (30:0)	7358	2805	1627	3179	70597	41677	6892	14503	25544	3322	64929	9724	26647	10127	2077	9519	2702	22979	101944	7209	1259	6704	6458	4585	2985	6210	4556	6466	3089	4767
PC (32:0)	21432	8535	6442	11275	107666	78194	36300	25092	49545	11194	97636	21300	28380	27526	5263	19057	15790	31530	633218	16261	5570	13999	21580	13420	7685	16030	15727	30085	7806	17446
PC (32:1)	13761	2713	3770	7175	79261	59214	9628	24576	31383	4110	72659	11072	29274	11481	2770	18475	4168	25330	303267	11188	1218	5142	5756	3063	1848	4539	4984	6956	1973	4815
PC (32:2)	3317	866	898	2686	9793	7859	2017	8143	6493	966	33217	2102	13650	1709	1051	5770	1023	6835	367280	5282	202	1405	1086	538	639	971	1239	1400	513	771
PC (32:3)	878	356	91	361	7604	6032	432	1614	3253	247	8694	1237	3310	1275	65	885	211	3030	6709	1195	239	1016	1013	804	415	637	742	613	575	380
PC (33:1)	5348	2080	1419	2568	22125	26131	4348	6794	12804	3558	15596	4839	11179	5484	1170	7041	1741	6989	110616	3979	1225	3872	3693	1999	1274	3044	2919	3618	1338	2833
PC (33:2)	4486	1099	1103	1831	10170	11037	2603	5934	6682	1676	24579	2227	11766	2351	1170	5238	1785	5009	138318	4677	508	1840	1778	763	654	1324	1871	1627	625	855
PC (34:0)	4125	1810	1303	1835	22300	11290	8255	5326	10915	1247	16246	3443	6663	5038	981	3452	2643	6313	246582	2499	96	2447	4203	2776	1354	2698	3631	6281	1137	2247
PC (34:1)	389691	123479	91490	163253	1442972	1526317	278996	457238	886885	182218	1299018	376871	636927	433496	64467	384287	191231	479942	8499378	258486	54118	197240	210547	119134	79324	189951	211018	370013	73413	199023
PC (34:2)	972873	136329	153449	362657	2571591	2141761	555142	1495030	1457845	243309	5675284	505387	2022472	607914	164872	943363	509618	1139951	13321139	968698	50733	261583	220804	81959	95417	191488	362270	374163	60459	170963
PC (34:3)	9400	1469	2084	4418	22706	16654	6125	18288	14341	2173	63713	5041	20771	4087	1821	12489	3084	10866	867363	11416	383	1579	1858	575	655	2012	2463	2624	396	1251
PC (35:1)	3277	220	42	190	12894	14166	2430	3544	8284	1922	8882	2300	7764	3925	55	4071	206	4307	206699	2145	20	589	1817	5	70	538	1740	1711	6	729
PC (35:2)	7567	1957	1483	2744	22110	20574	4594	9079	13195	3304	37178	3976	18587	5600	1622	9656	3281	7218	383835	8253	1124	3052	3001	1332	1382	2202	3873	3436	1318	1946
PC (35:3)	2926	724	735	1283	6968	5310	2319	4440	5269	1104	12558	1350	4245	2031	548	2897	954	2148	51685	2336	434	976	926	302	520	825	902	1155	432	721
PC (36:1)	47607	15005	9556	13777	201414	197131	36202	61631	116335	20300	128831	36683	105241	37572	7455	38389	17247	59237	2690522	27864	5988	24238	29258	15077	9554	25432	27875	50461	9175	19733
PC (36:2)	400678	54472	42660	84134	1116725	900035	196269	593673	661142	94169	1812687	147601	845254	197094	61923	387838	155488	465230	10300188	359230	20449	108415	107397	35089	37593	90998	192372	204602	25241	58014
PC (36:3) A	27150	3390	678	5835	78922	68462	11636	26246	21580	5799	87054	14577	56540	13825	2260	51492	15464	33989	1419545	21444	1705	5800	4623	2993	2029	3540	9059	6303	2071	5467
PC (36:3) B	158405	36935	23454	53972	470306	335994	83699	266934	388329	56269	613210	74936	429583	88286	30276	197520	54860	234156	4730262	155395	8593	35646	36288	13265	20433	40168	69918	71154	17778	42729
PC (36:4) A	72213	6107	9849	11610	125447	54763	25717	119485	60288	10986	619794	18759	112726	27846	12526	42479	18289	56804	3492664	54438	2883	12522	5142	2251	3543	8096	12780	12994	2986	3085
PC (36:4) B	280854	38574	25909	58480	690591	594042	129930	286629	234401	63306	826974	146036	536999	136302	25896	481222	159163	345927	11258289	238066	14737	36536	42981	15564	28652	43541	92020	64275	16222	48653
PC (36:4) C	40843	11631	9935	16970	156397	175592	31028	49074	97891	19449	148322	38359	70711	46203	7752	41227	18737	49709	180597	22430	6001	21240	20576	11296	7445	16181	19544	36949	6685	19361
PC (36:5) A	2803	206	336	528	3370	2817	1576	6800	1543	472	16829	1516	3123	793	318	1324	699	2262	206578	3097	90	225	223	86	134	439	243	295	141	196
PC (36:5) B	8513	1378	1521	4676	9968	11799	3784	11955	4725	1773	9652	4208	38124	1933	1082	15174	2451	15729	1767965	6437	282	845	2776	450	1176	2112	1520	836	782	1047
PC (37:2)	1812	458	669	89	1305	3980	201	2535	3013	82	5162	928	3078	259	597	1678	104	2028	75226	289	388	586	112	591	378	223	936	765	104	225
PC (37:4)	5767	1204	694	1264	13637	12879	3235	5579	5669	2092	13021	2815	12572	3105	809	12709	3136	5916	360705	4687	759	1312	1542	679	900	1384	2568	1932	727	1391
PC (38:2)	4143	2063	1348	1612	11803	9751	3594	6969	7343	1891	11513	2583	9672	2897	1501	3957	2258	6376	320469	3662	949	2495	2696	1700	1347	2145	2636	3843	1660	1717
PC (38:3)	19956	5780	3100	5073	61389	41509	9630	50809	68588	7606	69878	8026	86561	10463	3470	32832	8751	47943	1643883	23465	2107	6690	6314	3154	4118	4966	15126	12119	4320	7835
PC (38:4) A	155702	21194	10561	16950	355822	303787	69596	203739	153158	33457	416255	53602	344287	64823	12215	319274	90433	195484	5993723	129230	8103	22037	28866	9359	16563	28723	69454	62022	9560	25783
PC (38:4) B	8377	2824	2043	2462	34588	33576	6973	10560	19765	3955	18505	6750	17846	6475	1343	4548	3471	9965	273126	3870	1242	4452	5307	3115	1849	4396	5195	9993	1855	3841
PC (38:5) A	41440	1129	6023	10674	121168	87055	20625	48312	47412	11300	106989	18477	73928	22252	6624	72546	19901	48886	1339407	33206	3650	7082	8492	3942	5083	9681	13702	16226	3563	10026
PC (38:5) B	13326	3488	2160	4369	874	5410	9804	174	26656	5209	181	7304	287	8550	2416	551	7994	7872	1173301	14741	1139	692	4121	1052	2317	3865	9272	6093	1302	2598
PC (38:6) A	52394	15628	8233	18764	192999	353109	48759	93941	107740	22072	180471	48961	335783	51846	10174	142528	45963	222240	4964501	99508	4182	26986	44349	7417	10545	23064	35349	25741	5255	11524
PC (40:4)	1610	777	396	208	7517	3679	1208	3221	4445	760	8253	861	5032	1302	550	3912	1266	3979	381623	2834	259	762	481	474	67	262	1248	1320	323	194
PC (40:5) A	5045	1105	691	1524	16336	10172	2955	10499	10346	1920	15213	2418	17889	3291	414	12841	3658	14041	418822	7690	432	1035	1598	618	995	1506	2765	3226	120	1295
PC (40:5) B	1456	537	38	220	7395	6029	1867	4669	4413	972	10249	1417	5147	892	193	2035	1005	4682	384852	3358	135	480	784	720	528	624	1607	1167	589	534
PC (40:6) A	1348	447	443	381	222		590	2579	2946	500	4205	250	3236	279	521	3223	588	2163	25997	1647	233	249	405	307	381	161	664	862	194	157
PC (40:6) B	4299	1296	461	1011	17619	30851	2934	10792	2529	1661	5875	3349	35770	3083	586	15215	3522	21640	1190294	8323	430	2640	3536	813	918	1723	3255	2514	516	1402
PC (40:7)	2819	1005	614	824	15260	20045	2760	6639	11626	1364	11327	2600	11961	2976	532	8342	1723	7964	345492	3992	425	1513	2155	613	656	1610	1812	2137	471	902
PC (40:8)	1383	362	342	435	3785	2363	1022	1825	1381	436	3548	907	3088	715	297	2007	484	1746	203529	1253	208	428	422	244	173	454	451	379	170	315
PC (o-32:0)	1919	1211	1740	947	6050	3042	7613	2214	3495	827	5380	1374	2953	1597	856	2105	1463	2853	188701	1308	163	1140	4763	1861	570	916	1442	2197	575	919
PC (p-32:0) or PC (o-32:1)	1890	1559	1404	1293	11620	1599	2978	3603	4430	1594	8155	3129	4325	2731	1316	2769	2228	4334	158670	1454	1309	1830	2155	1530	1388	1518	2625	2925	1510	1382
PC (p-34:0) or PC (o-34:1)	5045	1839	2176	1884	13799	8543	930	2040	9078	2741	12630	3124	7543	3995	1523	4643	2838	2253	394011	3432	1254	2727	2189	2289	480	2317	3303	4315	1287	2135
PC (p-34:1) or PC (o-34:2) A	7028	890	1075	1927	7353	4917	4150	4643	6236	1337	15413	2205	9144	3092	1378	3181	2898	4807	256803	2864	857	2694	2482	1195	786	1848	2037	2848	234	1390
PC (p-34:2) or PC (o-34:3)	13492	3260	2920	5535	29472	1044	14066	23077	13856	1529	70846	8999	31895	12517	3680	14575	9090	20139	582285	11476	966	4368	4069	185	260	452	8588	6801	367	1440
PC (p-36:1) or PC (o-36:2)	2938	1205	1115	1234	6621	6188	4614	2435	5247	1188	6669	1591	4418	2630	643	1584	1802	2836	131747	1532	739	2336	2949	1394	797	1411	1982	2903	806	1789
PC (p-36:2) or PC (o-36:3)	3903	88	128	346	4651	1909	2351	2700	4173	83	8865	517	6410	1067	245	1834	487	3049	112494	1267	50	270	411	312	101	99	696	523	55	68
PC (p-36:3) or PC (o-36:4)	32039	435827	417618	422343	66672	36555	427646	456292	26556	430710	60489	423460	39968	434540	408529	28864	437229	26558	2217907	427801	445640	456090	431154	454471	449396	492155	431041	426243	445188	430723
PC (p-36:4) or PC (o-36:5)	27173	5812	2895	8506	101027	63487	16600	25167	28768	7634	79953	30412	44070	19605	4137	42766	16501	37357	1345404	22791	2947	5419	5809	1068	3112	7182	12993	10447	1734	5374
PC (p-38:3) or PC (o-38:4)	10637	805	68	807	27422	19106	5421	8134	10704	2763	29273	5879	14694	5771	148	10940	5928	10084	847299	6925	544	3222	2234	450	221	551	5054	3712	182	1288
PC (p-38:4) or PC (o-38:5) A	23025	1559	1240	2889	47983	30506	6543	12456	17700	2958	45890	6005	24387	6057	1947	21458	6381	17580	1581523	12027	1001	3084	2946	1244	1621	3429	5672	4826	667	2325
PC (p-38:4) or PC (o-38:5) B	4527	929	795	1538	12438	8515	3574	4337	4756	1071	7260	4840	5715	3038	659	522	2395	5335	390801	3175	721	1492	1118	774	903	1524	2652	1961	701	1046
PC (p-38:5) or PC (o-38:6)	4555	620	628	1217	14402	6827	2389	4346	3651	904	11063	4034	7403	2263	648	7887	2407	5483	230185	3214	685	531	1152	504	525	1249	2289	514	566	757
PC (p-40:1) or PC (o-40:2)	202	973	655	682	2915	2475	945	495	1439	428	563	1292	1126	1456	1036	145	1157	1300	1109	891	984	1164	396	1106	1456	1835	1350	783	1090	1878
PC (p-40:3) or PC (o-40:4)	2313	1412	1233	1726	13159	11060	1932	1057	6382	1810	6955	5012	2621	5351	601	1811	3003	3887	161954	752	930	3285	1880	2038	1322	2658	2333	2457	1412	1873
PC (p-40:4) or PC (o-40:5)	2550	249	198	430	5061	3414	1609	2291	1981	273	4602	966	2329	218	147	2548	1644	1411	211553	1609	114	687	771	166	387	117	1114	775	142	340
PC (p-40:6) or PC (o-40:7) A	1539	193	155	295	4465	5044	744	1177	1928	317	3014	880	3064	706	172	1791	871	2271	79407	1110	85	585	568	206	206	536	630	395	92	151
PC (p-42:3) or PC (o-42:4)	1927	915	730	1368	6901	6135	1837	1278	3872	1178	2889	3233	2051	3735	512	822	2175	2705	71318	486	872	2555	1581	2663	821	2152	1930	2689	893	1788
PC (p-42:4) or PC (o-42:5)	2849	447	508	347	5242	3427	1448	2837	1372	444	5848	1169	1988	1301	191	1984	1342	1171	269677	932	210	465	588	415	244	615	723	743	153	327
PC (p-44:4) or PC (o-44:5)	2269	377	546	436	3598	2068	1104	1604	1231	466	2547	540	2196	1067	84	1874	1271	1437	236212	897	182	641	820	177	266	395	657	482	270	316
PE (34:2)	15566	4408	7308	11062	77399	169522	12478	17989	43433	10756	40461	15272	6955	20894	4066	14006	12369	11448	158286	6038	3377	15045	9599	8786	4811	13890	8443	18259	5379	15121
PE (36:1)	7467	3141	2605	4719	42218	66554	8009	5270	20297	4726	13921	8120	3275	10600	1611	3306	4989	7696	99498	2112	2766	8416	7898	5857	3091	9799	5723	13928	3306	7715
PE (38:4)	56929	28109	19902	48168	181618	211436	28054	40343	88771	40849	63016	61189	26331	58891	10849	34932	36880	45910	473217	21291	29979	35935	51103	42156	32806	76092	47960	54725	35043	63290
PE (38:6)	7225	3274	2387	5027	56757	145235	6473	8313	26883	7986	18377	12246	505	16342	857	6522	6684	11449	95448	3693	2103	9614	8404	5823	2807	14632	5986	10780	3064	10087
PE (38:7)	3951	900	36	1434	36442	48895	4441	4529	12255	3016	10191	4637	32	6265	36	2116	994	3524	35958	130	38	754	54	431	218	3890	54	28	246	2800
PE (40:7)	363	86	420	887	16918	29458	826	264	6323	1761	6110	1001	41	2029	61	179	940	70	4272	78	484	1950	1561	308	312	2902	496	2642	253	1675
PE (p-36:2) or PE (o-36:3)	3337	2088	1466	4191	17427	24242	3890	2171	14469	2740	8796	4861	3097	8261	910	1505	3992	4485	60581	608	2069	7533	4898	2362	2039	6548	3929	9235	2144	3337
PE (p-36:4) or PE (o-36:5)	110976	60446	40084	79503	520410	730158	90653	77759	265092	99963	197846	153165	44076	153130	23533	67933	115967	152871	532319	24907	57669	146066	116901	96183	55172	204309	92395	178756	62458	121924
PE (p-38:4) or PE (o-38:5)	38730	23584	12896	29826	197474	265735	40880	23409	82764	26530	59983	46274	26392	90708	7132	16746	41586	69044	431583	7221	25108	57469	39760	26304	26141	80341	44498	69412	29959	45208
PE (p-38:5) or PE (o-38:6)	8629	3652	3098	4632	35655	40726	6542	5868	15234	5010	16961	8441	4949	10169	2004	6346	6939	11308	19603	2142	3746	8388	6811	4970	2948	9753	6623	12312	2937	6185
SM (d32:0)	942	452	482	508	3054	9744	638	1076	1889	658	6083	736	876	798	174	1002	455	806	34933	434	218	768	618	571	277	767	437	311	318	524
SM (d32:1)	18308	7805	6394	8435	107188	156451	21008	30773	36400	15822	139017	16811	20175	18636	4211	27014	9122	21704	1012418	16840	3640	13498	12898	11054	5985	14163	7439	9210	6342	14051
SM (d32:2)	727	804	1045	609	3024	3720	923	2400	1427	766	6584	652	1645	736	530	1306	591	875	59118	1494	173	554	594	288	273	520	384	417	369	578
SM (d33:1)	15773	5931	4521	6210	120642	183146	16778	22754	30292	14909	101793	14628	14052	19464	3132	19541	7674	14639	709191	10979	2154	6762	8806	7457	3675	7921	5218	6998	3812	9043
SM (d34:0)	15663	3429	9345	8664	112484	271279	15080	21223	35866	10006	73593	16429	8782	17458	2947	12746	8044	13486	197518	4926	3397	5870	7970	6677	2609	10021	6503	7262	2398	6841
SM (d34:1)	612608	218206	195698	329983	1980998	3370279	647883	778486	1136887	401017	1814595	574346	382511	704006	137114	575682	409239	574853	8439788	319828	124576	358254	376451	301587	151559	483962	258412	488197	161638	460008
SM (d34:2)	51768	9629	11672	14226	139212	266410	58665	101878	56877	14937	321704	38156	43027	40113	7610	54476	22573	33203	3282669	47671	3840	12314	12503	8309	5578	11480	9412	14747	5600	14398
SM (d36:0)	2765	963	1248	1338	21418	44455	1756	3251	10032	1951	8624	4690	1476	3214	525	2151	2151	2058	45126	1188	628	1600	1419	1249	702	1832	1534	2083	702	1505
SM (d36:1)	29660	10815	7729	13656	337922	367443	26027	36494	94087	26480	113684	46276	23859	43267	6153	37367	19177	32244	1360742	18658	6780	17585	18938	14170	7605	20368	16622	25826	8045	25237
SM (d36:2)	40415	7024	5656	10192	284524	291487	33192	51815	68217	12125	185597	41301	33608	44381	4972	42265	16590	29622	1328162	28158	2119	10340	10846	5662	4124	8540	10703	13150	3345	10282
SM (d37:1)	691	2613	204	1421	56595	15639	1304	2370	4190	6350	3330	2211	3744	1158	829	4290	570	1942	13282	2531	990	579	700	995	1427	335	973	312	1103	3960
SM (d38:0)	3766	1451	1633	1881	16525	23012	1697	2504	7106	975	6762	2677	1447	3400	717	1605	2281	2794	50659	226	1512	1068	836	1871	1074	3461	2026	3520	1271	1948
SM (d38:1)	59594	27675	17458	33530	564225	703655	44123	52470	190386	69064	143537	115352	38536	72418	10184	47003	40001	59852	1109998	20973	31648	55586	58547	51666	23524	87715	48166	91474	26626	98802
SM (d38:2)	16344	4827	3948	7135	106835	127629	13107	18516	32444	10603	41910	22588	13815	19629	3805	16332	8578	13796	290143	11190	3595	8030	8647	5616	3576	6945	6831	11216	3814	11439
SM (d39:1)	10487	6007	3165	5503	129848	108233	7737	7834	30382	14279	24946	15621	8826	12051	1732	7721	6716	11274	253341	4011	4965	10236	10466	8651	4685	13158	7923	12737	5506	14557
SM (d39:2)	881	463	122	327	6771	5895	514	1098	2293	576	2563	906	1309	947	184	1219	128	1116	37220	517	101	59	424	274	209	53	489	115	139	380
SM (d40:0)	7290	1389	1956	3420	15618	62612	2205	3592	7506	2204	9191	4315	2689	7410	1341	2262	2659	4071	33007	866	1369	5563	2160	1982	1006	5972	1723	6091	1914	5728
SM (d40:1)	157071	75323	41178	86052	887020	1261764	113253	111968	465273	159428	286446	225434	78711	178771	23007	82061	117127	145260	1766706	29021	83329	171988	163303	142190	61889	288798	113695	252481	68341	235363
SM (d40:2) A	11891	4060	3849	4974	108241	88405	10649	203	2052	10051	36166	12877	11495	11322	3060	14725	5738	12061	490675	5747	864	4608	5737	4417	2540	6051	4635	6022	2430	6848
SM (d40:2) B	17029	6010	5653	10514	98689	218447	20140	19031	42172	20129	73341	25208	24832	24359	3519	10029	8979	15301	482022	11209	4607	10277	9245	6057	4878	10881	11057	16576	3729	15831
SM (d41:1)	43299	24186	10309	21724	264114	306382	24659	23315	129009	42491	70039	59033	19433	50952	5276	16680	33055	41770	563153	7061	25776	58547	49752	38413	20244	86128	30400	67306	22352	63798
SM (d41:2)	7204	2579	2010	2821	70622	54829	5602	7956	16805	6765	21054	8507	7075	7809	1519	7443	3639	7146	376139	3533	1173	3731	4402	3166	1756	4844	3249	4569	1766	4393
SM (d42:0)	5897	2200	2727	2344	22091	74383	1069	2122	9210	2372	4302	5998	1074	9392	784	861	2813	2142	15433	249	1359	4161	2977	2886	1790	11401	2545	4841	1980	3668
SM (d42:1)	133668	56777	41000	77828	575257	1030856	108172	117715	344784	116818	234037	174984	59145	165462	29389	65329	95205	111973	1412597	25742	74522	135270	125490	109625	45768	244866	90981	173668	50664	160173
SM (d42:2) A	138468	35668	37798	64837	695139	957665	103591	139248	366619	83892	341635	160854	57403	145561	29968	103592	75486	105963	3717804	32142	22377	76308	88034	65625	25468	137620	55655	133600	27074	87997
SM (d42:2) B	43340	12706	14947	22282	246185	275253	37428	52934	131190	28688	114390	59214	26612	50449	10277	35592	20383	35041	1147294	14018	7455	23145	27702	18319	7885	38084	17912	32889	7474	25911
SM (d42:3)	46714	9996	11497	22074	214102	220741	37457	60564	92603	19988	118862	44119	32222	45853	11587	41077	24785	40999	2112165	21721	4040	16067	17925	12442	7181	22092	14811	28086	7163	19593
SM (d43:1)	3853	2211	393	2120	16759	30573	3633	2481	9117	5358	6309	4551	417	5457	825	2405	2777	3192	41320	826	1732	2631	3759	3196	1599	5350	2610	2199	1561	3987
SM (d43:2) A	2810	969	1088	1254	14286	21013	2596	2871	6752	3433	6282	2285	2040	3140	837	3390	1358	1822	138919	861	287	1473	1792	1756	708	1585	786	1267	553	1379
SM (d43:2) B	805	360	288	594	13890	20735	471	365	5661	3326	6078	549	1973	3179	449	3196	515	617	130076	311	459	574	1640	1525	330	1100	334	1049	164	390
SM (d44:2)	1175	678	526	884	5925	8426	1123	1450	3289	1203	2545	1485	582	1500	254	846	882	1003	22988	244	473	1007	1136	1050	416	1638	868	1957	593	1299
TG (14:0/14:0/14:0)	7199	8381	7191	6577	7492	8990	7536	8008	7571	6857	5965	8699	8060	8368	7756	6317	7845	6033	7679	8009	8290	7563	7770	9426	8438	8080	8331	7135	11112	28167
TG (42:1)	424	461	532	23393	2724	1158	3061	1089	1383	533	1161	1354	1221	1355	25586	242	1115	1229	1620	1621	1020	988	774	374	1771	885	475	1354	4020	18655
TG (44:1)	844	419	750	1823	1130	1312	715	4620	2366	1188	1826	1828	2620	1837	1822	595	761	1455	4394	2439	1039	1088	1270	928	1416	1223	1289	1353	4816	27462
TG (46:0)	3814	3885	2743	3012	5831	6397	3485	11419	7635	3840	5296	4150	6135	5868	3893	2938	4363	4026	12238	5466	3082	4027	2973	3227	4028	3214	4730	2819	5968	47775
TG (46:1)	2288	2128	1967	4090	3252	4105	3419	14654	7899	4253	5317	5196	8611	4980	4782	1847	4086	4080	37948	7645	4096	3412	3563	2761	5169	2904	3374	3064	8133	55263
TG (46:2)	716	981	1062	1404	710	889	1738	5505	2778	1681	1991	1149	3568	2053	2331	977	1582	1762	11742	2661	1354	1367	1238	905	1459	1118	1213	1264	2538	16117
TG (48:0)	8615	8541	7416	7323	13457	14881	8034	20500	17745	10205	10720	11483	12389	13309	8890	6301	8949	10027	43718	10145	7078	7933	6498	8458	8796	7943	11073	6279	13204	109429
TG (48:1)	4871	3565	3525	6375	10248	9876	6866	32114	22146	9609	14125	11248	19873	10034	8381	3627	8445	10463	127417	17403	6161	6131	6784	4141	8559	5290	8787	6837	12915	111963
TG (48:2)	1793	1788	2090	3724	3210	3252	3622	13405	8850	3710	6193	4110	8013	4555	4934	1969	3840	5180	175360	7411	3015	3108	3214	1788	3757	2470	3609	3182	4876	41199
TG (49:0)	2718	2846	2466	3061	3670	4016	2587	7589	4550	2983	2451	3224	3576	3993	3208	2407	3338	2258	9650	3733	2396	2948	2208	2862	2450	2611	2579	2058	3548	16278
TG (49:1)	1669	1598	1805	3621	2993	3356	3065	11321	6445	3650	3436	4339	5955	4025	4207	1717	3261	1810	44889	7473	3136	2597	2867	1886	3248	2540	3157	2964	3105	25037
TG (49:2)	473	528	777	1968	1505	1065	1825	7092	3492	2301	2457	2881	3574	2652	1424	1209	1208	919	33882	4136	1648	1967	1606	948	1819	841	1668	1526	1356	9447
TG (50:0)	5408	7226	5186	6096	8544	11006	6054	11571	13966	9822	6930	6554	7601	11034	7292	4572	6652	5698	67446	7107	5352	6172	5336	7182	6877	6620	8482	5059	11634	110004
TG (50:1)	8246	5262	5754	8553	32968	15812	13278	44462	41111	15187	35786	17964	25977	12531	9728	5615	15300	20221	892692	24004	7941	6728	10921	7296	13407	7660	17740	10345	19739	258448
TG (50:2)	6462	4373	4026	5608	22573	10413	12069	43911	39253	13158	31489	10829	21346	10218	8153	5235	26094	20063	774373	25181	5149	6039	9609	4249	9372	5700	15039	8667	10686	129381
TG (50:3)	1536	1328	1249	1393	4796	2061	3230	12141	11660	3241	7863	2420	4345	2597	2089	1746	3573	6788	940448	4994	1577	1861	2461	498	2165	1508	3977	2130	2725	25605
TG (51:1)	901	694	891	1171	1448	1388	1418	4620	2590	1255	1633	1954	2366	1652	1619	703	1569	788	51317	3040	1161	922	1273	944	1423	1007	1467	1324	1636	17430
TG (51:2)	688	800	1103	1826	2431	1516	2563	7361	4998	2321	3125	1683	3645	1561	2153	733	2045	887	218168	4978	1090	1555	2149	836	2105	1055	2775	999	2017	22084
TG (52:0)	9315	10425	8846	9832	12460	20419	8321	16634	21295	16150	9319	10442	10954	24500	12277	8281	9592	7948	38911	12868	8983	10658	8869	12004	10334	10048	12362	7745	15123	102472
TG (52:1)	4773	3308	4100	5376	13321	7583	7646	15803	14731	7319	12087	8913	10044	6276	6444	1483	12045	6586	738384	17741	5099	4202	7698	5851	8067	5616	9443	6801	16206	246461
TG (52:2)	10188	11355	6621	10042	79690	15927	19163	104567	107800	28113	118508	21309	38930	14683	11069	11261	53315	30370	5580546	47608	8378	6980	16921	9113	24761	10439	42784	19177	17977	474508
TG (52:3)	15359	9795	5989	5928	77273	16366	27996	107415	113151	29497	133673	14438	28248	13427	8840	12830	102370	44956	6324654	50674	6551	10466	18092	6538	16808	8721	39263	15530	15071	182496
TG (52:4)	4638	3569	2410	2278	18773	4367	9214	30992	30132	10927	32446	4502	7550	4055	5667	4415	112252	16415	4135116	32684	2558	3794	5499	2303	4936	3308	10163	5644	4740	72100
TG (52:5)	496	882	416	557	945	325	653	2332	2698	1193	1926	536	548	674	834	595	20432	1913	567495	3533	623	784	452	480	699	752	679	695	559	3235
TG (53:1)	571	620	745	1121	813	890	974	3639	1745	1076	1056	1350	1489	1199	1046	614	1106	790	16502	2010	944	833	855	861	1022	880	1022	917	1203	16258
TG (53:3)	566	524	528	554	1339	686	1222	2720	2401	960	1896	887	1197	828	754	546	1576	759	259302	1016	549	624	845	482	853	521	1368	783	905	7851
TG (54:1)	3187	2270	4151	4484	5932	5345	4344	11346	6974	4935	5624	5771	6064	4591	5598	2477	8509	2889	165350	11337	3539	3798	4452	3594	3982	3756	5138	4224	7811	126848
TG (54:2)	4086	3018	3054	4569	11726	5608	7810	14943	14362	6480	15044	7343	7213	5550	4475	2459	23546	4631	1761066	14685	3927	5577	6347	4335	5916	4577	8906	5426	8797	174634
TG (54:3)	11140	8808	6995	13220	36382	14739	18715	41490	52301	16305	61176	24488	25695	16759	9226	7710	87317	14196	2949777	34794	10226	11525	17311	8511	18563	11026	26699	15987	13170	408057
TG (54:4)	7333	5535	3897	5483	26837	8826	13198	35007	40075	12793	52795	8845	10041	6934	6940	5075	143186	11708	3725305	34976	4559	5793	8435	4344	9557	5536	17221	7844	7245	164731
TG (54:5) A	3344	2376	1538	2259	11191	3647	6025	16334	18642	6817	20706	3652	4044	3367	5356	2555	180229	6936	2330544	32986	2111	2707	3752	1607	3464	2308	7023	3857	3774	90663
TG (54:5) B	901	481	503	713	3587	1037	2367	5946	2977	1860	3826	382	1740	426	399	576	178	2604	231969	1145	561	794	687	732	760	315	1954	872	915	1779
TG (54:6) A	1314	1407	911	1629	3071	1400	2365	5952	3824	3593	4348	2152	1722	1961	4660	1137	161344	2960	923834	24305	1302	1576	1429	1234	1242	1346	2029	1952	2593	50365
TG (56:1)	1774	1050	1716	2589	2338	2595	2258	10772	3583	3001	2654	3070	4078	3010	3736	1750	4268	1212	31834	5705	2285	2328	1994	1406	1856	1742	2333	2042	1816	18049
TG (56:2)	938	1099	1090	1731	2089	1664	2226	5261	2425	1866	2443	2166	2342	1835	1798	1042	6776	1003	189378	4438	1371	1472	1552	1218	1469	1277	1900	1522	1279	21612
TG (56:3)	660	358	605	796	1889	1075	1708	1718	1466	1020	1924	1075	1045	386	806	497	4769	884	208837	2442	393	725	1020	870	789	753	1247	790	478	10889
TG (56:4)	563	365	342	440	1363	759	1001	1578	1530	503	1463	653	627	636	473	372	4310	681	20326	1507	448	422	756	522	494	506	660	480	578	5313
TG (56:7)	1828	1332	1791	443	4348	3219	3291	5636	3522	2335	3953	2021	2551	3156	2364	2110	2964	2725	665118	2629	3541	1197	2576	2308	2603	718	3719	2744	3306	2866
TG (58:1)	1417	1758	2554	3688	2808	3602	3397	15754	4502	3683	3440	4085	5161	3649	4308	1986	4973	1747	28221	5995	2608	2724	749	2549	2355	2251	2508	2482	1974	17215
TG (58:2)	482	1018	1558	2158	2090	2116	2078	7450	2774	2303	2545	2787	3209	2511	2606	973	6114	404	84515	4449	1849	1992	1789	1286	1559	1641	1995	1480	1106	16349
TG (60:2)	846	896	1053	1390	1237	1415	1930	6210	1752	1160	1605	1999	2080	1548	1710	792	2980	682	52775	2838	251	1168	1140	1056	964	933	1498	1243	136	11219
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Identifier	m/z	RT	InChi key	Adducts	Comments
Acylcarnitine C10:0	0.58_316.25	316.2478	0.591	LZOSYCMHQXPBFU-UHFFFAOYSA-N	[M+H]+
Acylcarnitine C12:0	0.73_344.28	344.2801	0.74	FUJLYHJROOYKRA-QGZVFWFLSA-N	[M+H]+
Acylcarnitine C16:0	1.58_400.34	400.342	1.8	XOMRRQXKHMYMOC-OAQYLSRUSA-N	[M+H]+	palmitoylcarnitine
Acylcarnitine C18:0	2.33_428.37	428.3727	2.544	FNPHNLNTJNMAEE-UHFFFAOYSA-N	[M+H]+	stearoylcarnitine
Acylcarnitine C18:1	1.73_426.36	426.3578	1.95	HITOYGLMAFIRNI-YSESTWPTSA-N	[M+H]+	oleylcarnitine
Acylcarnitine C18:2	1.33_424.34	424.3425	1.5	MJLXQSQYKZWZCB-DQFWFXSYSA-N	[M+H]+	linoleylcarnitine
CE (18:1)	10.85_673.59 _10.85_668.63	673.5894 _668.634	11.136	RJECHNNFRHZQKU-RMUVNZEASA-N	[M+Na]+ _[M+NH4]+
CE (18:2)	10.37_671.57 _10.37_666.62	671.5738 _666.6184	10.586	NAACPBBQTFFYQB-LJAITQKLSA-N	[M+Na]+ _[M+NH4]+
CE (20:4)	10.13_695.57 +10.13_690.62	695.5738 _690.6184	10.245	IMXSFYNMSOULQS-BEDFLICRSA-N	[M+Na]+ _[M+NH4]+
CE (22:6)	9.88_719.57 _9.88_714.62	719.5738 _714.6184	9.988	VOEVEGPMRIYYKC-HNJOWPRISA-N	[M+Na]+ _[M+NH4]+
Ceramide (d18:1/23:0)	7.94_636.63 _7.94_618.62 _7.94_658.61	636.6289 _618.6184 _658.6109	8.139	NAJHAHQNQCNWOP-PUYNVXOJSA-N	[M+H]+ _[M+H-H2O]+ _[M+Na]+
Ceramide (d40:1)	7.62_622.61 _7.62_604.60 _7.62_644.59	622.6133604.6027644.5952	7.823	KEPQASGDXIEOIL-GLQCRSEXSA-N	[M+H]+ _[M+H-H2O]+ _[M+Na]+
Ceramide (d42:1)	8.26_650.65 _8.26_632.63 _8.26_672.63	650.644 _6632.634 _672.6265	8.445	ZJVVOYPTFQEGPH-AUTSUKAISA-N	[M+H]+ _[M+H-H2O]+ _[M+Na]+
Ceramide (d42:2)	7.59_648.63 _7.59_630.62 _7.59_670.61	648.6289 _630.6184 _670.6109	7.791	VJSBNBBOSZJDKB-KPEYJIHVSA-N	[M+H]+ _[M+H-H2O]+ _[M+Na]+
Cholesterol	4.87_369.35	369.3516	4.957	HVYWMOMLDIMFJA-DPAQBDIFSA-N	[M-H2O+H]+
DG (34:1)	6.85_617.51 _6.85_612.56	617.5116 _612.5562	7.068	YEJYLHKQOBOSCP-OZKTZCCCSA-N	[M+Na]+ _[M+NH4]+	noMSMS
DG (34:2)	6.36_615.50 _6.36_610.54	615.4965 _610.5411		SVXWJFFKLMLOHO-YAIZGCQRSA-N	[M+Na]+ _[M+NH4]+
DG (36:2) A	6.93_643.53	643.5272	7.126	AFSHUZFNMVJNKX-LLWMBOQKSA-N	[M+Na]+	noMSMS
DG (36:2) B	6.93_638.57	638.5718	7.126	AFSHUZFNMVJNKX-LLWMBOQKSA-N	[M+NH4]+	noMSMS
DG (36:2) C	6.93_643.53 _6.93_638.57	643.5272 _638.5718	6.365	AFSHUZFNMVJNKX-LLWMBOQKSA-N	[M+Na]+ _[M+NH4]+	noMSMS
DG (36:3) A	6.40_641.51	641.5115	6.596	BLZVZPYMHLXLHG-JOBMVARSSA-N	[M+Na]+	noMSMS
DG (36:3) B	6.40_636.56	636.5562	6.596	BLZVZPYMHLXLHG-JOBMVARSSA-N	[M+NH4]+	noMSMS
DG (36:3) C	6.40_641.51 _6.40_636.56	641.5115 _636.5562	6.596	BLZVZPYMHLXLHG-JOBMVARSSA-N	[M+NH4]+	noMSMS
DG (38:5) A	6.25_665.51	665.5116	6.438	GRGDLDNREYVILP-CNWVQWJYSA-N	[M+Na]+	noMSMS
DG (38:5) B	6.25_660.56	660.5562	6.526	GRGDLDNREYVILP-CNWVQWJYSA-N	[M+NH4]+	noMSMS
DG (38:5) C	6.25_665.51 _6.25_660.56	665.5116 _660.5562	6.438	GRGDLDNREYVILP-CNWVQWJYSA-N	[M+Na]+ _[M+NH4]+	noMSMS
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0)	4.80_862.624.80_884.61	862.625 _884.6069	4.874	HLIJNIKSBCIDGO-QKLMXXKVSA-N or HLIJNIKSBCIDGO-NLXPYQMASA-N	[M+H]+ _[M+Na]+
GlcCer (d40:1)	6.98_784.67 _6.98_766.66 _6.98_806.65	784.6661 _766.6555 _806.648	7.226	QMYGQSYNQBLKGY-YAEABVQUSA-N	[M+H]+ _[M+H-H2O]+ _[M+Na]+
GlcCer (d42:1)	7.63_812.70 _7.63_794.69 _7.63_834.68	812.69747 _94.6868 _834.6793	7.876	SNVYJLGKALMFOP-MOLROICHSA-N	[M+H]+ _[M+H-H2O]+ _[M+Na]+
GlcCer (d42:2)	6.96_810.68 _6.96_792.676.96_832.66	810.6817 _792.6711 _832.6636	7.272	WBOZIXHPUPAOIA-RBELZSLISA-N	[M+H]+ _[M+H-H2O]+ _[M+Na]+
Lactosylceramide (d18:1/24:1(15Z))	6.69_972.736.69_994.72	972.7346 _994.7165	6.861	MKOKWBRPIBQYJJ-LWQSSKHKSA-N	[M+H]+ _[M+Na]+	Or Ceramide Isomer
LPC (14:0)	0.99_468.31	468.3089	1.031	VXUOFDJKYGDUJI-OAQYLSRUSA-N	[M+H]+
LPC (16:0)	1.47_496.34	496.3395	1.6	ASWBNKHCZGQVJV-HSZRJFAPSA-N	[M+H]+
LPC (18:0)	2.23_524.37	524.3708	2.344	IHNKQIMGVNPMTC-RUZDIDTESA-N	[M+H]+
LPC (18:1)	1.62_522.36 _1.56_544.34	522.3551 _544.3387	1.562	YAMUFBLWGFFICM-PTGWMXDISA-N	[M+H]+ _[M+Na]+
LPC (18:2)	1.23_520.34	520.3395	1.388	SPJFYYJXNPEZDW-FTJOPAKQSA-N	[M+H]+
LPC (20:4)	1.20_544.34	544.3403	1.35	GOMVPVRDBLLHQC-VEJNOCSESA-N	[M+H]+
LPC (o-16:0)	1.75_482.36	482.3606	1.802	VLBPIWYTPAXCFJ-DEOSSOPVSA-N	[M+H]+
PC (30:0)	4.79_706.54	706.5378	4.907	RFVFQQWKPSOBED-PSXMRANNSA-N	[M+H]+
PC (32:0)	5.40_734.57	734.5691	5.579	KILNVBDSWZSGLL-KXQOOQHDSA-N	[M+H]+
PC (32:1)	4.86_732.55	732.5535	4.974	QIBZFHLFHCIUOT-NPBIGWJUSA-N	[M+H]+
PC (32:2)	4.43_730.54	730.5378	4.517	GPWHCUUIQMGELX-VHQDNGOZSA-N	[M+H]+
PC (32:3)	4.79_728.52	728.5222	4.907	UXEFXNOSLOCOLX-ZCHSEWAGSA-N	[M+H]+	Possible M+Na of PC 30:0
PC (33:1)	5.16_746.57	746.57	5.339	OFRWLQSOUIZELQ-VEAYGOGPSA-N	[M+H]+
PC (33:2)	4.70_744.55	744.5541	4.8	SBNDHGBVMZMSNL-UESLNCBNSA-N	[M+H]+
PC (34:0)	6.05_762.60	762.6004	6.218	PZNPLUBHRSSFHT-RRHRGVEJSA-N	[M+H]+
PC (34:1)	5.52_760.59	760.5904	5.653	WTJKGGKOPKCXLL-VYOBOKEXSA-N	[M+H]+
PC (34:2)	5.04_758.58 _4.98_780.55	758.5751 _780.5535	5.173	JLPULHDHAOZNQI-ZTIMHPMXSA-N	[M+H]+ _[M+Na]+
PC (34:3)	4.60_756.56	756.5514	4.65	VKVSSDKCKXJFIM-AFYHZPHLSA-N	[M+H]+	3 conformations co-eluteing
PC (35:1)	5.80_774.61	774.6007	5.96	MFHIZGSSDZJFKD-IYEJTHTFSA-N	[M+H]+	2 conformations
PC (35:2)	5.22_772.59	772.5854	5.454	MJWAVUYQCBFFHQ-WESJWMGVSA-N	[M+H]+	(2 conformations) noMSMS
PC (35:3)	4.86_770.57	770.5694	4.957	AYXGHIQPMDYMJC-AHMBLZLYSA-N	[M+H]+
PC (36:1)	6.13_788.62	788.6161	6.322	ATHVAWFAEPLPPQ-VRDBWYNSSA-N	[M+H]+
PC (36:2)	5.64_786.60	786.6004	5.803	SNKAWJBJQDLSFF-NVKMUCNASA-N	[M+H]+
PC (36:3) A	5.07_784.59	784.5848	5.154	BXRLDROZWDUSGM-ZRYFCQOPSA-N	[M+H]+
PC (36:3) B	5.16_784.59	784.5848	5.404	WZCLAXMADUBPSG-RIXBAXMTSA-	[M+H]+
PC (36:4) A	4.64_782.57	782.5694	4.716	NKQPOVROGSWLTO-NVPMBMBWSA-N	[M+H]+
PC (36:4) B	4.91_782.57	782.5721	5.023	IIZPXYDJLKNOIY-JXPKJXOSSA-N	[M+H]+
PC (36:4) C	5.48_782.57	782.5691	5.645	IIZPXYDJLKNOIY-JXPKJXOSSA-N	[M+H]+
PC (36:5) A	4.27_780.56	780.5538	4.379	SUZYROYNFNQALJ-MHEIZRSESA-N	[M+H]+
PC (36:5) B	4.54_780.56	780.5538	4.699	SUZYROYNFNQALJ-MHEIZRSESA-N	[M+H]+
PC (37:2)	5.92_800.62	800.6161	6.118	MCZUABDVGPPWPM-HJTCUGKVSA-N	[M+H]+
PC (37:4)	5.22_796.59	796.5848	5.388	QRPUCJXFPYFTMB-FBFLODOBSA-N	[M+H]+
PC (38:2)	6.20_814.63	814.6317	6.536	KXXLFCAPKGRXBT-FMJYHZMHSA-N	[M+H]+
PC (38:3)	5.79_812.61	812.6137	6.046	KNNHXKQRTYEWCA-HYYWERRFSA-N	[M+H]+
PC (38:4) A	5.53_810.60	810.6004	5.854	PSVRFUPOQYJOOZ-QNPWAGBNSA-N	[M+H]+
PC (38:4) B	6.12_810.60	810.6004	6.322	DNYKSJQVBCVGOF-LCKGXUDJSA-N	[M+H]+
PC (38:5) A	4.97_808.58	808.5848	5.096	SUACBSWYGWBPFC-GPUJSUHJSA-N	[M+H]+
PC (38:5) B	5.14_808.59	808.5848	5.322	YLWBKBDNHWQEFU-YJXJLLHLSA-N	[M+H]+
PC (38:6) A	4.76_806.57	806.5691	4.874	PLZBTDKJYHXIEW-DZUXOTHRSA-N	[M+H]+
PC (40:4)	5.98_838.63	838.632	6.246	FHUAYOMRHXZKHT-JUGJLYODSA-N	[M+H]+
PC (40:5) A	5.57_8.36.61	836.6164	5.804	IJTJDJOOHZVSAC-NDRUHXFFSA-N	[M+H]+
PC (40:5) B	5.80_836.61	836.6164	6.054	SFESOYFQZQJCOY-FXYWPAEZSA-N	[M+H]+
PC (40:6) A	5.04_834.60	834.6007	5.247	KZSXWBSDQDXESU-PPEVQBTRSA-N	[M+H]+
PC (40:6) B	5.36_856.58	834.6007	5.604	TYRTWVKQVGNGSZ-RGBTVBCDSA-N	[M+H]+
PC (40:7)	4.82_832.59	832.5848	5.016	BPUROMFCPFGBOT-ZEGPSQTJSA-N	[M+H]+
PC (40:8)	4.41_830.57	830.5694	4.569	SIMZOWLEIOYZJX-VRCXRDLJSA-N	[M+H]+
PC (o-32:0)	5.80_720.59	720.5902	5.96	SVWBXNAUENUONE-LDLOPFEMSA-N	[M+H]+	oPC (32:0)
PC (p-32:0) or PC (o-32:1)	5.69_718.57	718.5745	5.877		[M+H]+	pPC (32:0) or oPC (32:1)
PC (p-34:0) or PC (o-34:1)	5.88_746.60	746.6058	6.01		[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	5.546		[M+H]+	pPC (34:1) or oPC (34:2)
PC (p-34:2) or PC (o-34:3)	5.27_742.58	742.5745	5.446		[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	6.246		[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	5.704		[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	5.438		[M+H]+	pPC (36:4) or oPC (36:3)
PC (p-36:4) or PC (o-36:5)	5.19_766.58	766.5759	5.338		[M+H]+	pPC (36:4) or oPC (36:5)
PC (p-38:3) or PC (o-38:4)	5.91_796.62	796.6215	6.146		[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	5.488		[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	6.096		[M+H]+	pPC (38:4) or oPC (38:5)
PC (p-38:5) or PC (o-38:6)	5.12_792.59	792.5902	5.446		[M+H]+	pPC (38:5) or oPC (38:6)
PC (p-40:1) or PC (o-40:2)	6.64_828.68	828.6842	6.916		[M+H]+
PC (p-40:3) or PC (o-40:4)	6.56_824.65	824.6528	6.876		[M+H]+	pPC (40:3) oPC (40:4)
PC (p-40:4) or PC (o-40:5)	5.92_822.64	822.6371	6.196		[M+H]+	pPC (40:4) oPC (40:5)
PC (p-40:6) or PC (o-40:7) A	5.18_818.60	818.6058	5.354		[M+H]+	pPC (40:6) or oPC (40:7)
PC (p-42:3) or PC (o-42:4)	7.21_852.69	852.6859	7.486		[M+H]+	pPC (42:3) or oPC (42:4)
PC (p-42:4) or PC (o-42:5)	6.56_850.67	850.669	6.836		[M+H]+	pPC (42:4) or oPC (42:5)
PC (p-44:4) or PC (o-44:5)	7.17_878.70	878.6997	7.456		[M+H]+	pPC (44:4) or oPC (45:5)
PE (34:2)	5.17_716.53	716.5252	5.338	HBZNVZIRJWODIB-NHCUFCNUSA-N	[M+H]+	Has 184 frag
PE (36:1)	6.32_746.57	746.57	6.606	JQKOHRZNEOQNJE-ZZEZOPTASA-N	[M+H]+
PE (38:4)	5.70_768.56 _5.74_790.54	768.556 _790.5391	5.74	ANRKEHNWXKCXDB-BHFWLYLHSA-N	[M+H]+ _[M+Na]+
PE (38:6)	4.91_764.52	764.5235	5.023	LFGBKOUQHCWBQI-BZGLIJSBSA-N	[M+H]+
PE (38:7)	4.40_784.49	784.4941	4.403		[M+Na]+
PE (40:7)	4.98_790.54	790.5399	4.976		[M+H]+
PE (p-36:2) or PE (o-36:3)	6.13_728.56	728.5596	6.322		[M+H]+	pPE (36:2) or oPC (36:3)
PE (p-36:4) or PE (o-36:5)	5.36_724.53	724.5284	5.53		[M+H]+	pPE (36:4) or oPC (36:5)
PE (p-38:4) or PE (o-38:5)	6.01_752.56	752.559	6.176		[M+H]+	pPE (38:4) or oPC (38:5)
PE (p-38:5) or PE (o-38:6)	5.41_750.54	750.5437	5.674		[M+H]+	pPE (38:5) or oPC (38:6)
SM (d32:0)	4.35_677.56	677.5592	4.426	MJAFYELZQYPMQG-MPQUPPDSSA-N	[M+H]+
SM (d32:1)	4.13_675.54	675.5439	4.227	KYICBZWZQPCUMO-PSALXKTOSA-N	[M+H]+
SM (d32:2)	3.72_673.53	673.5279	3.788	PEJGMBUENJSLLH-RHAKMSQVSA-N	[M+H]+
SM (d33:1)	4.42_689.56	689.5592	4.517	LQINJRUGTUOHGS-YPDYIYJKSA-N	[M+H]+
SM (d34:0)	4.94_727.57	705.5905	5.056	QHZIGNLCLJPLCU-QPPIDDCLSA-N	[M+H]+
SM (d34:1)	4.72_703.58	703.5773	4.816	RWKUXQNLWDTSLO-GWQJGLRPSA-N	[M+H]+
SM (d34:2)	4.23_701.56	701.5602	4.326	YLWSJLLZUHSIEA-CKSUKHGVSA-N	[M+H]+
SM (d36:0)	5.61_733.62	733.6218	5.761	JCELSEVNSMXGKA-IOLBBIBUSA-N	[M+H]+
SM (d36:1)	5.35_731.61	731.608	5.537	LKQLRGMMMAHREN-YJFXYUILSA-N	[M+H]+
SM (d36:2)	4.82_729.59	729.5917	4.933	NBEADXWAAWCCDG-QDDWGVBQSA-N	[M+H]+
SM (d37:1)	5.72_745.62	745.6218	5.954	HAFQHLHNPJDAGB-MAJDXUCPSA-N	[M+H]+
SM (d38:0)	6.29_761.65	761.6531	6.526	UGRZESKDAPEULH-ACEXITHZSA-N	[M+H]+
SM (d38:1)	6.02_759.64	759.6387	6.201	AADLTHQNYQJHQV-SVLGDMRNSA-N	[M+H]+
SM (d38:2)	5.46_757.62	757.6213	5.629	MDRFMTLYKHBJTF-NQYLGBTJSA-N	[M+H]+
SM (d39:1)	6.37_773.65	773.6527	6.571	YXSZOBWVQJIWNE-LUJNSPTCSA-N	[M+H]+
SM (d39:2)	5.82_771.64	771.6375	5.969	SDUGEKJCGFHJRC-IYXZHQORSA-N	[M+H]+	2 conformations
SM (d40:0)	6.96_789.68	789.6844	7.135	FONAXCRWZQFJHY-JCGOJSMZSA-N	[M+H]+
SM (d40:1)	6.69_787.67	787.6704	6.894	FJJANLYCZUNFSE-QVMKKYBKSA-N	[M+H]+
SM (d40:2) A	6.01_785.66	785.6531	6.184	FOULCGVQZYQEQM-DNXGLLHMSA-N	[M+H]+ A
SM (d40:2) B	6.12_785.66	785.6531	6.322	VBFKEZGCUWHGSK-ADSSWVSQSA-N	[M+H]+ B
SM (d41:1)	6.90_801.68	801.6827	7.226	SXZWBNWTCVLZJN-NMIJJABPSA-N	[M+H]+
SM (d41:2)	6.34_799.67	799.6686	6.637	JBDGKEXQKCCQFK-JWQIMADESA-N	[M+H]+	2 conformations
SM (d42:0)	7.61_817.72	817.7157	7.781	SMJLGESYPKPRNU-CRCOQUFZSA-N	[M+H]+
SM (d42:1)	7.35_815.70	815.7012	7.55	QEDPUVGSSDPBMD-XTAIVQBESA-N	[M+H]+
SM (d42:2) A	6.67_813.69	813.6873	6.861	DACOGJMBYLZYDH-GXJPFUDISA-N	[M+H]+ A
SM (d42:2) B	6.79_813.69	813.6857	7.076	DACOGJMBYLZYDH-GXJPFUDISA-N	[M+H]+ B
SM (d42:3)	6.11_811.67	811.6664	6.306	TXFLWJQVQCDUDZ-BRUGZULGSA-N	[M+H]+
SM (d43:1)	7.55_829.71	829.7157	7.773	LXMARZYBSFYVSY-KUQVZNNZSA-N	[M+H]+
SM (d43:2) A	6.88_827.70	827.7001	7.077	PBROMOQAZGFDHQ-GPQOMLTASA-N	[M+H]+ A
SM (d43:2) B	6.99_827.70	827.7001	7.184	BJXQFQDUJVIUAH-XSFBYAMLSA-N	[M+H]+ B
SM (d44:2)	7.31_841.72	841.7157	7.596	YXEXWUZHFGYOHJ-UOJCCMJYSA-N	[M+H]+
TG (14:0/14:0/14:0)	9.43_745.63 _9.43_740.68	745.6317 _740.6763	9.516	DUXYWXYOBMKGIN-UHFFFAOYSA-N	[M+Na]+ _[M+NH4]+
TG (42:1)	8.95_743.62 _8.95_738.66	743.6162 _738.6606	8.953	PMWOTNASJLOLJE-BNQAGZCGSA-N	[M+Na]+ _[M+NH4]+
TG (44:1)	9.43_771.65 _9.43_766.69	771.6473 _766.6919	9.541	OUKDNADVOQVFAR-NBTXLFQMSA-N	[M+Na]+ _[M+NH4]+
TG (46:0)	10.36_796.74	796.7389	10.469	JWVXCFSNEOMSHH-UHFFFAOYSA-N	[M+NH4]+
TG (46:1)	9.93_799.68 _9.93_794.72	799.6786 _794.7232	10.03	RSDIQTNCDWUNDP-VHXPQNKSSA-N	[M+Na]+ _[M+NH4]+
TG (46:2)	9.50_797.66 _9.50_792.71	797.663 _792.7076	9.598	XUEMVUXNOCIHLG-MOFPORNTSA-N	[M+Na]+ _[M+NH4]+
TG (48:0)	10.81_829.73 _10.81_824.77	829.7256 _824.7702	11.036	PVNIQBQSYATKKL-UHFFFAOYSA-N	[M+Na]+ _[M+NH4]+
TG (48:1)	10.38_827.71 _10.38_822.75	827.7099 _822.7545	10.486	FEKLSEFRUGWUOS-DLOIZKPKSA-N	[M+Na]+ _[M+NH4]+
TG (48:2)	9.98_825.69 _9.98_820.74	825.6943 _820.7389	10.079	RUOVJPPUXXFZPC-YZEIBMOJSA-N	[M+Na]+ _[M+NH4]+
TG (49:0)	10.96_843.74 _10.96_838.79	843.7412 _838.7858	11.112	TTWJTJMWHOYBPQ-ANFMRNGASA-N	[M+Na]+ _[M+NH4]+
TG (49:1)	10.59_841.73 _10.59_836.77	841.7256 _836.7702	10.685	VYYGQDOPVVYUKW-UKFBYESTSA-N	[M+Na]+ _[M+NH4]+
TG (49:2)	10.18_839.71 _10.18_834.76	839.7118 _834.7545	10.262	QZYSUBAQYSVFNX-PSMULLBHSA-N	[M+Na]+ _[M+NH4]+
TG (50:0)	11.20_857.76 _11.20_852.80	857.7569 _852.8015	11.298	MARPCPMDFOPPJX-UHFFFAOYSA-N	[M+Na]+ _[M+NH4]+
TG (50:1)	10.80_855.7 _410.80_850.79	855.7412 _850.7858	10.908	YHMDGPZOSGBQRH-YYSBDVFPSA-N	[M+Na]+ _[M+NH4]+
TG (50:2)	10.41_853.73 _10.41_848.77	853.7256 _848.7702	10.51	QEZWFCZNHWUARW-XQCAQTCHSA-N	[M+Na]+ _[M+NH4]+
TG (50:3)	10.01_851.71 _10.01_846.76	851.7099 _846.7545	10.104	UFHNZOACKFBCOM-YXKNDSBASA-N	[M+Na]+ _[M+NH4]+
TG (51:1)	10.93_869.76 _10.93_864.80	869.7569 _864.8015	11.042	OZAXLAGNPZMZAD-BOEMPQCLSA-N	[M+Na]+ _[M+NH4]+	(2 conformations)
TG (51:2)	10.61_867.74 _10.61_862.79	867.7412 _862.7858	10.71	NSNSZGBCOIKUBU-SZOKBDNISA-N	[M+Na]+ _[M+NH4]+
TG (52:0)	11.56_885.79 _11.56_880.83	885.7882 _880.8328	11.697	SDNYRTVJOFMYIW-OIVUAWODSA-N	[M+Na]+ _[M+NH4]+
TG (52:1)	11.20_883.77 _11.20_878.82	883.7725 _878.8171	11.306	NPCZZYKITFKRQZ-RFBIWTDZSA-N	[M+Na]+ _[M+NH4]+	TG(18:0/16:0/18:1)
TG (52:2)	10.88_881.76 _10.88_876.80	881.7569 _876.8015	10.917	TXMWKTABZBAJCW-QLHBUVOUSA-N	[M+Na]+ _[M+NH4]+
TG (52:3)	10.46_879.74 _10.46_874.79	879.7412 _874.7858	10.56	DQXQIWIQYYEGLG-MMWLGPPDSA-N	[M+Na]+ _[M+NH4]+
TG (52:4)	10.09_877.73 _10.09_872.77	877.7256 _872.7702	10.187	WHSWXEYWNPTUPW-HNJDVRDNSA-N	[M+Na]+ _[M+NH4]+	2 conformations
TG (52:5)	9.71_875.71 _9.71_870.76	875.7099 _870.7545	9.814	CQZAAIKPSLHIBC-KDJOUNIJSA-N	[M+Na]+ _[M+NH4]+	(2 conformations)
TG (53:1)	11.35_897.79 _11.35_892.83	897.7882 _892.8328	11.536	WWJIBIGWKGFVAQ-JNSYTQKUSA-N	[M+Na]+ _[M+NH4]+
TG (53:3)	10.64_893.76 _10.64_888.80	893.7569 _888.8015	10.886	ZNQBEJJYVJSZLM-LEDQTTRKSA-N	[M+Na]+ _[M+NH4]+
TG (54:1)	11.56_911.80 _11.56_906.85	911.8038 _906.8484	11.697	YFFIQXNTTVSKJC-NZEOUKRFSA-N	[M+Na]+ _[M+NH4]+
TG (54:2)	11.20_909.79 _11.20_904.83	909.7882 _904.8328	11.306	WUUWGORPQFKFQN-XDVOZUNOSA-N	[M+Na]+ _[M+NH4]+
TG (54:3)	10.84_907.77 _10.84_902.82	907.7725 _902.8171	10.943	PHYFQTYBJUILEZ-IUPFWZBJSA-N	[M+Na]+ _[M+NH4]+
TG (54:4)	10.48_905.7610.48_900.80	905.7569 _900.8015	10.577	BRLGHZXETDWABO-NOFIOOQLSA-N	[M+Na]+ _[M+NH4]+
TG (54:5) A	10.10_903.74 _10.10_898.79	903.7412 _898.7858	10.286	VVEBTVMJPTZDHO-YQFZQLSNSA-N	[M+Na]+ _[M+NH4]+	possible (18:1/18:2/18:2)
TG (54:5) B	10.32_903.74 _10.32_898.79	903.7412 _898.7858	10.486	OEJXMJPFOHYSIU-GRLFFVHSSA-N	[M+Na]+ _[M+NH4]+
TG (54:6) A	9.70_901.73 _9.70_896.77	901.7256 _896.7702	9.906	HBOQXIRUPVQLKX-BBWANDEASA-N	[M+Na]+ _[M+NH4]+	possible(18:2/18:2/18:2)
TG (56:1)	11.85_939.84 _11.85_934.88	939.8351 _934.8797	11.971	OCYFAHIHWCVZKS-FHSLLVMSSA-N	[M+Na]+ _[M+NH4]+
TG (56:2)	11.56_937.82 _11.56_932.86	937.8195 _932.8641	11.697	PDEQUPGHMOMBFC-FYEHETCMSA-N	[M+Na]+ _[M+NH4]+
TG (56:3)	11.20_935.80 _11.20_930.85	935.8038 _930.8484	11.306	QXMHHXQBBKDSSL-BAQZNRHJSA-N	[M+Na]+ _[M+NH4]+	probable (18:1/18:1/20:1)
TG (56:4)	10.88_933.79 _10.88_928.83	933.7882 _928.8328	11.086	YONCDTJKIZDSKQ-IYASBODOSA-N	[M+Na]+ _[M+NH4]+
TG (56:7)	9.96_927.74 _9.96_922.79	927.7412 _922.7858	10.146	DODZUDCYRVWEOJ-GKZBLMSTSA-N	[M+Na]+ _[M+NH4]+	possible (16:0/18:1/20:5)
TG (58:1)	11.99_967.87 _11.99_962.91	967.8664 _962.911	12.112	OWZMHFAFGQCCNI-FBXRAONGSA-N	[M+Na]+ _[M+NH4]+
TG (58:2)	11.85_965.85 _11.85_960.90	965.8508 _960.8954	11.971	NFQQJRGJJVQGAV-MEADVOAOSA-N	[M+Na]+ _[M+NH4]+
TG (60:2)	11.99_993.88 _11.99_988.93	988.9267 _993.8821	12.112	QPNVLDQSHXVPMG-JMYPUKFOSA-N	[M+Na]+ _[M+NH4]+
METABOLITES_END
#END