#METABOLOMICS WORKBENCH ryanfunk_20190703_092013 DATATRACK_ID:1756 STUDY_ID:ST001211 ANALYSIS_ID:AN002018 PROJECT_ID:PR000814
VERSION             	1
CREATED_ON             	July 12, 2019, 1:41 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolic Markers of Methotrexate Response
PR:PROJECT_TYPE                  	In Vitro
PR:PROJECT_SUMMARY               	Untargeted metabolomics study of methotrexate pharmacological response.
PR:INSTITUTE                     	University Of Kansas
PR:DEPARTMENT                    	Pharmacy Practice
PR:LABORATORY                    	Funk
PR:LAST_NAME                     	Funk
PR:FIRST_NAME                    	Ryan
PR:ADDRESS                       	2106 Olathe Boulevard, Kansas City, Kansas, 66160, USA
PR:EMAIL                         	ryanfunk@kumc.edu
PR:PHONE                         	9139456904
PR:FUNDING_SOURCE                	KL2TR002367
#STUDY
ST:STUDY_TITLE                   	Metabolomic Markers of Methotrexate Response, In Vitro
ST:STUDY_SUMMARY                 	Erythroblastoid cells (K562) maintained in logarithmic growth phase were treated
ST:STUDY_SUMMARY                 	with 1000 nM methotrexate or vehicle alone (i.e. D-PBS) under standard culture
ST:STUDY_SUMMARY                 	conditions for 24 hours. Cellular response to methotrexate was measured based on
ST:STUDY_SUMMARY                 	anti-proliferative activity by cell counting. Cells were washed, flash frozen in
ST:STUDY_SUMMARY                 	liquid nitrogen and submitted for metabolomics analysis to the NIH West Coast
ST:STUDY_SUMMARY                 	Metabolomics Center.
ST:INSTITUTE                     	University Of Kansas
ST:DEPARTMENT                    	Pharmacy Practice
ST:LABORATORY                    	Funk Lab
ST:LAST_NAME                     	funk
ST:FIRST_NAME                    	ryan
ST:ADDRESS                       	2106 Olathe Boulevard
ST:EMAIL                         	ryanfunk@kumc.edu
ST:PHONE                         	9135885000
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	20 samples
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	53 years
SU:GENDER                        	Female
SU:CELL_BIOSOURCE_OR_SUPPLIER    	Coriell
SU:CELL_STRAIN_DETAILS           	GM05372
SU:CELL_PRIMARY_IMMORTALIZED     	Epstein-Barr Virus
SU:CELL_PASSAGE_NUMBER           	Six
SU:CELL_COUNTS                   	15 million
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1	Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	2	Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	3	Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	4	Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	5	Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	6	Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	7	Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	8	Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	9	Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	10	Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	11	Group:Methotrexate	
SUBJECT_SAMPLE_FACTORS           	-	12	Group:Methotrexate	
SUBJECT_SAMPLE_FACTORS           	-	13	Group:Methotrexate	
SUBJECT_SAMPLE_FACTORS           	-	14	Group:Methotrexate	
SUBJECT_SAMPLE_FACTORS           	-	15	Group:Methotrexate	
SUBJECT_SAMPLE_FACTORS           	-	16	Group:Methotrexate	
SUBJECT_SAMPLE_FACTORS           	-	17	Group:Methotrexate	
SUBJECT_SAMPLE_FACTORS           	-	18	Group:Methotrexate	
SUBJECT_SAMPLE_FACTORS           	-	19	Group:Methotrexate	
SUBJECT_SAMPLE_FACTORS           	-	20	Group:Methotrexate	
#COLLECTION
CO:COLLECTION_SUMMARY            	Cells were counted, a volume containing 15 million cells were collected, washed
CO:COLLECTION_SUMMARY            	with
CO:SAMPLE_TYPE                   	K562
CO:STORAGE_CONDITIONS            	-80℃
CO:TISSUE_CELL_QUANTITY_TAKEN    	15 million cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Cells were maintained under normal growth conditions in a humidified,
TR:TREATMENT_SUMMARY             	temperature- and CO2-controlled incubator at 37ºC and 5% CO2. Cells were kept
TR:TREATMENT_SUMMARY             	at density between 2.0x105 and 1.0x106 cells/mL to maintain logarithmic growth
TR:TREATMENT_SUMMARY             	conditions to promote maximum proliferative activity over the experimental
TR:TREATMENT_SUMMARY             	period. All experiments were conducted within six passages following removal
TR:TREATMENT_SUMMARY             	from cryopreservation. On the day of experimentation, K562 cells were seeded at
TR:TREATMENT_SUMMARY             	a density of 4.0x105 cells/mL and exposed to 1000 nM MTX or D-PBS (i.e. vehicle)
TR:TREATMENT_SUMMARY             	for 24 hours under normal growth conditions.
TR:TREATMENT_COMPOUND            	Methotrexate
TR:TREATMENT_ROUTE               	In Media
TR:TREATMENT_DOSE                	1000 nM
TR:TREATMENT_DOSEDURATION        	24 hours
TR:TREATMENT_VEHICLE             	Dulbecco's Phosphate Buffered Saline (without Calcium/Magnesium)
TR:CELL_STORAGE                  	Liquid Nitrogen
TR:CELL_GROWTH_CONTAINER         	T-175 Flask
TR:CELL_GROWTH_CONFIG            	Suspension
TR:CELL_INOC_PROC                	Seeded at 4.010^5 cells/mL
TR:CELL_MEDIA                    	RPMI 1640 medium (catalog no. 61870-127, ThermoFisher Scientific, Waltham, MA)
TR:CELL_MEDIA                    	supplemented with 10% fetal bovine serum (catalog no. S11150, Atlanta
TR:CELL_MEDIA                    	Biologicals, Lawrenceville, GA) along with 100 units/mL penicillin and 1,000
TR:CELL_MEDIA                    	units/mL streptomycin (catalog no. 15140122, ThermoFisher Scientific, Waltham,
TR:CELL_MEDIA                    	MA)
TR:CELL_ENVIR_COND               	humidified, temperature- and CO2-controlled incubator at 37ºC and 5% CO2
TR:CELL_HARVESTING               	Counted and a volume containing 15x10^6 cells were collected, washed, flash
TR:CELL_HARVESTING               	frozen in liquid nitrogen
TR:CELL_PCT_CONFLUENCE           	NA
TR:CELL_MEDIA_LASTCHANGED        	24 hours prior to collection
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Cell pellets were sent to the West Coast Metabolomics Center and were processed
SP:SAMPLEPREP_SUMMARY            	on laboratory Standard Operating Procedures for Sample Preparation of Blood
SP:SAMPLEPREP_SUMMARY            	Plasma or Serum Samples for Lipidomic, Biogenic Amine, and Primary Metabolomic
SP:SAMPLEPREP_SUMMARY            	Analysis using a biphasic MeOH/MTBE/Water extraction procedure. The upper
SP:SAMPLEPREP_SUMMARY            	organic phase was used for lipidomics analysis and the aqueous phase was used
SP:SAMPLEPREP_SUMMARY            	for analysis of primary metabolism and biogenic amines.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Lipidomics
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 6530
CH:COLUMN_NAME                   	Waters Acquity CSH C18 (100 x 2.1mm, 1.7um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	Fiehn_laboratory_Lipidomics_CSH_QTOF_lipidomics.pdf
#MS
MS:INSTRUMENT_NAME               	Agilent 6530 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	MS acquisition, data processing, and feature assignments were conducted at the
MS:MS_COMMENTS                   	West Coast Metabolomics Center. Please reference the attached protocols.
MS:MS_RESULTS_FILE               	ST001211_AN002018_Results.txt	UNITS:Peak height	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak height
MS_METABOLITE_DATA_START
Samples	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
Factors	Group:Control	Group:Control	Group:Control	Group:Control	Group:Control	Group:Control	Group:Control	Group:Control	Group:Control	Group:Control	Group:Methotrexate	Group:Methotrexate	Group:Methotrexate	Group:Methotrexate	Group:Methotrexate	Group:Methotrexate	Group:Methotrexate	Group:Methotrexate	Group:Methotrexate	Group:Methotrexate
CE(22:1) iSTD	72617	84626	64795	76615	75240	78813	59930	68762	80723	76487	89056	90607	107282	88536	79727	73972	61757	50545	84170	64757
Cer(d18:1/17:0) iSTD	64895	65002	67664	62347	49293	68695	53747	63866	64331	59981	60925	66845	60697	69268	52549	55968	61077	64238	71576	68002
Cholesterol d7 iSTD	3230	2873	3097	2888	3111	3242	3112	3095	3125	3305	2912	2996	2965	2639	3404	3721	2613	2747	2586	3248
CUDA iSTD	34219	34402	36521	35751	34143	38470	34193	36879	35719	34919	34704	37718	36502	36531	32225	37082	32773	37625	38609	35385
DG(12:0/12:0/0:0) iSTD	15288	15813	15151	14621	13627	15068	12056	15036	16185	15470	14441	15247	14595	15966	13721	14123	14025	13829	15932	15633
DG(18:1/2:0/0:0) iSTD	100100	102273	98779	98207	86505	108884	70483	94506	103078	95374	99003	103345	93996	101925	98928	92304	92963	95597	104827	101604
LPC(17:0) iSTD	82251	82852	83615	78648	74881	88449	82348	82631	88195	82698	80238	82663	87869	83793	75625	79490	78436	83684	86441	85425
LPE(17:1) iSTD	14864	14792	14519	14491	13032	14711	13301	14078	14858	14738	14336	14313	14687	14532	12765	13813	12762	13885	14644	15431
MG(17:0/0:0/0:0) iSTD	15177	16223	14588	14519	12926	16157	11712	13982	15791	15590	14924	15865	14186	14903	15467	14450	14391	13980	15358	15441
PC(12:0/13:0) iSTD	3409	3460	3859	3455	2873	3889	2883	3471	3855	3229	3403	3646	3032	3374	3193	3225	3156	3168	3945	3410
PE(17:0/17:0) iSTD	31456	30776	29993	30413	25103	33083	24264	29470	31824	30858	28248	32113	27001	29294	24203	22461	32625	33303	30295	27732
SM(d18:1/17:0) iSTD	25748	25049	26572	24002	16433	26542	19518	23091	23700	21294	21923	25701	22521	28826	18739	18468	25779	28800	30681	26228
Sphingosine(d17:1) iSTD	23072	22482	24318	21094	20847	25319	19737	23564	24003	21352	22254	23122	22222	24022	20288	21832	20005	22070	24775	23913
TG d5(17:0/17:1/17:0) iSTD	31979	29461	27795	30006	24118	32335	22742	30433	32288	29297	28544	30439	27622	25556	26017	27930	30048	26839	30492	27935
AC(10:0)	59	65	83	155		177	265	401	136	106	85	64	158	262	270	189	96	141	144	266
AC(10:1)	130	122	179	181	188	110	109	104		143	186	56	115	78	55		118	129	72	127
AC(12:1)	179	213	120	210	212	188	158	210	195	221	159	212	275	172	171	246	241	276	240	235
AC(14:2)	173	204	145	182	78	241	157	195	139	185	209	186	217	181	230	203	165	125	277	427
AC(16:0)	6978	8593	11703	10794	6827	9718	9451	10256	7289	10258	9997	4716	10431	6815	4019	4339	6039	7342	8999	5563
AC(18:1)	4953	5542	6992	5997	4114	4996	4494	5997	3917	5189	15486	7217	17701	13365	7512	6864	6211	6131	12593	7462
AC(18:2)	156	303	211	313	143	208	247	227	121	141	573	559	541	841	465	233	504	379	479	250
CE(16:1)	781	818	488	717	303	746	538	606	426	391	198	341	204	428	116	86	335	402	561	792
CE(18:1)	5125	4398	4035	4710	1923	3448	3044	2927	3134	4104	2225	2730	2719	2829	1596	1830	2605	2502	3499	3274
CE(18:2)	3594	2399	2386	2389	1162	2219	1939	1889	1896	2122	1125	1049	965	1056	584	633	1141	1255	1099	2160
CE(18:3)	294	396	293	454	212	362	246	337	307	354	146	267	286	283	225	129	141	167	294	380
CE(20:3)	417	482	486	454	297	369	551	513	325	370	175	257	276	251	206	251	254	322	186	282
CE(20:4)	3904	3831	3196	3413	1992	3602	3012	2641	2984	3133	1150	1647	1420	1694	713	1084	1635	1432	2334	2261
CE(20:5)	769	541	690	468	416	633	597	598	538	501	337	136	210	368	230	228	222	221	209	452
CE(22:6)	2074	2165	1719	1755	1043	1879	1793	1930	1660	1646	1217	1215	945	1379	847	823	1316	1190	1388	1810
Cer(d34:1)	38685	34604	33368	30347	19678	36729	31882	33265	33126	29110	53482	57787	56017	62191	40143	41952	62530	67113	72045	55737
Cer(d36:1)	4062	3437	2929	3108	1444	3189	2655	2701	2870	2326	4841	5673	4761	6865	2529	3006	7064	7829	8420	5182
Cer(d38:1)	953	913	988	688	477	1090	618	806	630	723	1512	2213	1560	2464	1070	1295	2226	2494	2995	2049
Cer(d40:1)	12229	11031	10795	9930	5459	11143	9659	10762	10448	8591	15519	19259	16498	23174	11304	11663	24964	28616	30570	20902
Cer(d41:1)	3821	3055	3369	2854	1611	2759	3124	3238	2707	2489	3366	4003	3547	4141	2560	2384	4598	5448	5758	4434
Cer(d42:1)	48612	44068	43678	40640	20579	44518	36442	41159	40665	35383	38676	47843	40706	56946	28568	29194	62804	74312	78459	51171
Cer(d42:2) A	27806	24615	23664	22804	11328	24768	20682	22874	23331	19413	38569	47987	38633	57542	26132	27445	58188	65173	69812	57932
Cer(d42:2) B	33579	29863	29356	26825	13525	29049	25608	27121	25088	23245	24865	29874	25863	34946	16835	18405	36342	41258	44944	29824
Cholesterol	66365	69535	74715	66511	51905	75458	71581	72284	70555	67820	70347	71105	70237	77823	63048	64391	71318	75789	75857	72174
DG(32:1)	2384	1813	1572	1536	548	1760	1311	1352	1569	1401	188	601	346	410	112		307	921	687	660
DG(34:0)	3895	3351	3307	3072	1598	3155	2269	2405	2806	2432	811	928	935	932	584	756	1153	1058	1128	1196
DG(34:1)	20001	16481	13549	10586	5196	14684	12217	10784	14032	11802	7316	7930	7116	8595	4350	4422	8155	9173	10431	9443
DG(34:2)	1851	1555	1161	616	390	875	772	648	941	947	465	201	453	163	233	336	410	617	654	250
DG(36:1)	2234	1888	1654	1816	772	1766	1469	1519	1664	1541	1237	1362	1071	1268	917	936	1277	1184	1546	1397
DG(36:2)	6332	5456	4313	3547	1487	4719	3978	2723	4958	3278	2740	3782	2863	4281	1440	1411	3945	4165	4322	3872
DG(36:3)	363	358	602	418	211	479	503	214	621	492	588	504	479	538	251	253	263	300	504	495
DG(36:4) A	124	166	147	174	158	195	345	304	210	166	71	342	46	182	194	125	102	182	165	73
DG(36:6)	68	172	163	120	75	121	115	257	172	52	203	80	203	180	98	83	70	235	62	135
GlcCer(d34:1)	15695	14231	16208	15339	6056	14957	11336	12929	13888	12311	12185	15666	12160	15731	7451	7900	13183	14267	15165	10496
GlcCer(d40:1)	10423	9638	10302	8343	3678	9221	8311	8821	9301	8074	14125	17704	13825	20556	9383	9860	18306	20831	22089	15806
GlcCer(d42:1)	26478	26298	27371	23675	11902	26617	22465	23281	23312	22263	25364	31698	25685	35757	17052	18674	35241	40358	43141	28744
GlcCer(d42:2)	14187	13047	14517	12541	6559	12650	10716	11976	12373	11499	21138	25894	19942	29322	14321	14657	25101	27791	29600	25576
Lactosylceramide (d18:1/24:1(15Z))	1368	1132	1193	1053	488	1136	844	1077	1161	751	886	1402	731	1121	601	762	792	1282	966	977
LPC (20:0)	3037	2757	2820	2177	1484	2707	2528	2903	3021	2544	1087	1157	915	1716	512	668	1294	1682	1550	1105
LPC (20:1)	2464	2193	2406	1822	998	2241	2229	2382	2090	1676	1476	2281	1626	2358	1308	1384	2002	2643	2068	2234
LPC (20:2)	243	341	196	203	43	166	178	135	128	175	169	259	103	240	114	140	164	199	262	249
LPC (22:6)	210	122	162	99	126	155	319	150	127	55	242	261	165	320	108	222	371	498	418	208
LPC (o-16:0)	11406	10210	12302	10499	4750	10407	10874	10515	10831	9917	3006	4536	2987	4768	1549	2582	3990	5026	3753	3615
LPC (p-16:0) or LPC (o-16:1)	1232	1513	1358	1486	738	1255	1615	1452	1355	1250	1785	1830	1679	2486	714	1340	1958	2212	1841	1722
LPC (p-18:0) or LPC (o-18:1)	2133	2038	2420	1966	951	1917	1976	2001	1939	1817	814	1897	944	1451	814	980	1187	1828	1420	1488
LPC(14:0)	2947	2950	2277	2325	1011	2547	3402	2224	2692	2260	582	908	602	1161	461	481	1224	1471	1327	1135
LPC(15:0)		135	78	261		289	123	92	176	101	216	186	70	56	81	43	134	60	141	113
LPC(16:0)	69942	63431	69747	58318	26719	63713	65106	62424	63278	51541	25887	41507	28298	45242	19348	21286	44337	54890	47920	36254
LPC(16:1)	2109	1798	2271	1685	938	1947	2702	1980	1716	1444	688	1051	680	1282	456	700	1303	1420	1292	1024
LPC(18:0)	41629	35619	39600	33082	16390	37846	35180	38297	35692	30804	14959	22811	16216	26559	11766	12314	23493	29818	26290	20840
LPC(18:1)	16049	14097	16771	13246	6108	14561	18891	13841	14020	11696	8219	14371	8474	15864	5870	6799	14516	17418	15213	13220
LPC(18:2)	836	971	982	785	693	802	912	756	810	815	755	1055	992	1030	807	1136	1158	1185	1097	855
LPC(18:3)	153	207	139	209	140	202	174	82	174	142	93	192	123	166	102	130	203	168	144	154
LPC(20:3)	133	135					63	90	97		64	44	80				62	102	160	127
LPC(20:4)	281	397	334	135	132	234	349	259	226	274	444	523	368	676	220	209	893	1027	776	481
LPC(20:5)	72	51	76	26	55	44	82	59	88	64	40	123	67	92	16	56	118	81	74	114
LPC(22:5)	238	36	208	135	155	169	304	226	136	266	157	290	142	315	126	164	240	459	315	128
LPE(18:0)	19307	15971	18607	15313	7363	15612	13941	15633	13983	12521	6495	9616	6197	10842	4903	4778	11134	13134	13023	8056
LPE(18:2)	203	121	121	138	108	115	173	173	93	49	266	127	210	269	95	48	379	278	486	162
LPE(20:4)	565	543	530	530	350	360	1013	230	560	332	1011	1554	925	1664	544	410	1740	1983	1702	960
PC (16:0/9:0(CHO))	3949	3766	5251	2981	1919	5925	1877	3316	2216	5068	2789	6136	5795	9433	2225	3141	5233	6484	8567	3986
PC (37:3)	3300	3121	3967	2986	1229	3299	2294	2753	2757	2517	4116	5917	4128	6949	2206	2449	5594	7000	7140	5240
PC (39:6)	1916	1241	1827	1438	344	1160	918	996	996	961	1728	2441	1709	2631	1214	827	2103	2929	3132	1992
PC (42:5)	2251	1359	1679	1420	676	1875	1566	1216	1191	1194	2102	3238	2099	3624	1193	1006	2854	3560	3944	2848
PC (42:6)	3216	2989	3700	2818	1740	2320	2349	2716	2654	3739	5150	7082	5083	7468	2383	3037	6227	7550	7640	5608
PC (p-32:0) or PC (o-32:1)	26324	8370				29520	29187		15541		60809	61398	54738	67425	21558	24471	47513	60019	70972	69386
PC (p-36:3) or PC (o-36:4)	46567	40246	47943	39219	15702	38968	28933	33655	36507	31482	34080	50556	35813	59070	21862	21245	45894	59007	56562	41083
PC (p-38:2) or PC (o-38:3)	7085	6232	6748	5207	2566	6126	3952	4350	5225	4683	7145	9272	7001	11316	4574	4540	8832	10727	10657	8930
PC (p-42:3) or PC (o-42:4)	393	346	426	258	212	489	346	324	376	205	315	445	479	754	294	322	458	723	773	385
PC 30:0e;	47680	43516	50412	40474	14423	40770	31403	36562	34852	31779	24293	34883	24253	41678	12635	12766	32433	43580	42347	30962
PC 30:1;	50988	47504	48749	41753	20697	41929	35258	39485	37216	35694	11940	14328	11908	16600	7423	8253	19304	22693	22560	13881
PC 33:1e;	28738	26658	29102	25196	12796	26708	23141	26245	24652	22708	20378	23725	20434	29697	13767	14952	24088	28043	29929	24429
PC 34:1e;	853279	771244	848967	719027	254587	690849	585103	638144	634092	571505	538908	654971	513485	852953	293274	287724	578958	737980	752710	685656
PC 36:0;	15620	13879	13598	12033	6117	14216	11907	13956	12485	11446	4921	5736	4740	7914	3537	3342	8106	9305	9861	5584
PC 36:1e;	117722	105712	106276	97746	43872	101226	85482	100015	94478	84940	82771	94248	81207	136747	56186	56004	107216	126167	130459	113927
PC 36:3e;	19891	18309	20183	18836	8790	18708	15285	16578	17157	15487	16902	20607	17526	23308	11854	12487	18915	21480	21969	19108
PC 40:0;	7261	6634	6261	5692	2798	6445	5514	6339	5925	5482	1774	1666	1851	2554	1162	1391	2821	3266	3742	1826
PC 42:0;	5173	4651	4381	4328	1876	4931	3982	4165	3997	3785	1030	1208	1041	1571	736	895	1986	2269	2356	956
PC 42:2;	18172	16149	16981	15436	7060	16428	13248	13797	13620	13115	5830	6675	5511	7455	3691	3770	9251	9721	10625	6604
PC 44:2;	8274	8206	8019	7350	3827	8009	7102	6975	7416	6947	1773	2333	2052	2192	1128	1113	3041	3229	3855	1977
PC(28:0)	44451	41916	44237	38143	18961	39883	35152	38264	35797	34363	10229	12044	10188	15049	6767	7103	19369	24009	23267	13792
PC(30:0)	947661	873585	956780	810889	317442	823705	705151	764303	749396	686536	389781	501565	379082	562777	210843	208544	560291	703727	693795	505907
PC(31:0)	11122	10275	11453	9729	3975	9390	8337	9145	9087	8226	6079	8393	6330	9527	3275	3463	9212	12041	12351	7048
PC(31:1)	7584	6783	7613	6480	3437	6856	5943	6275	6086	5920	3250	4034	3494	4774	2132	2215	5327	6087	6332	3468
PC(32:0)	508980	456921	494961	421232	149295	437069	353625	390717	389850	347622	165901	210940	162703	250557	86406	88230	241958	306519	316869	200664
PC(32:1)	2254058	2080210	2301631	1946239	708416	1857242	1572776	1708964	1730044	1564267	802998	1058082	752607	1281624	424829	419504	1306661	1654725	1597964	947923
PC(32:2)	32075	29488	31921	27466	13680	25561	22471	23785	24611	22192	9755	12171	9569	13922	6413	6908	14909	17540	17462	11254
PC(33:0)	35339	33599	35510	29280	11939	31495	26849	30107	28717	25684	19436	24513	19042	32401	11823	11606	30446	37847	37864	24252
PC(33:1)	139299	125177	142876	116988	43507	115516	91999	107673	104973	90944	106849	152378	106148	186151	56729	57465	166495	221960	216732	134567
PC(33:2)	5796	5228	5614	4553	2493	4739	3786	4478	4758	4247	6737	4264	3072	9533	1900	2081	9487	11600	11422	7787
PC(34:0)	252122	217986	233672	194531	66749	214671	177028	202950	181961	161833	79753	104877	78830	150848	43802	45027	129276	166237	168566	112835
PC(34:1)	7336167	7138247	7513844	7034844	4541818	7129976	6577222	6929141	6771212	6502438	6830958	7546691	6777391	8100353	5407352	5577898	7643085	8161508	8226846	7662084
PC(34:2)	742134	683800	769637	636154	235877	610670	531308	555645	565634	522332	400572	540901	400206	633767	209609	220451	575775	735667	723191	524271
PC(34:3) A	7396	6472	7218	6736	3481	6525	5249	5894	5801	5087	4615	5945	4781	8637	3277	3150	6736	8053	8075	5376
PC(34:3) B	10203	9006	10349	9166	4680	9400	7484	8322	8037	7541	6232	8358	6205	8637	4033	4321	9538	10547	10893	7401
PC(34:3) C	11995	11430	12051	10158	4477	10908	8909	9893	9612	8326	10395	13599	9937	15738	6369	6008	14483	18896	18767	11777
PC(34:4)	6237	5623	5952	5211	2947	5225	4633	4701	5208	4427	3975	5228	4021	5752	2915	3000	6406	7548	7746	4781
PC(35:1)	113124	98571	109091	91162	33300	91977	77799	89851	84618	73298	97599	130619	95736	170991	53060	54486	135739	176039	178378	133174
PC(35:2) A	51445	45860	52877	44600	18663	44088	35723	40280	39578	35396	42174	58329	41114	72654	24599	25520	63053	80973	80066	57167
PC(35:2) B	51445	45860	52877	44600	18663	44088	35723	40280	39578	35396	42174	58329	41114	72654	24599	25520	63053	80973	80066	57167
PC(35:3)	6813	6073	7125	5721	2637	5875	5028	5598	5629	4593	6792	8664	6935	10284	4288	4021	9497	11453	12138	8130
PC(35:4)	878	813	844	798	424	930	389	591	770	696	574	1258	1039	1410	780	660	1271	1496	1393	887
PC(36:1)	2297325	2050735	2110660	1892959	774939	2011227	1788002	1992895	1799245	1631682	1429492	1725145	1404229	2321903	855298	865587	2095976	2471234	2502125	1950981
PC(36:2)	2774968	2656103	2888308	2573802	258343	2578892	552676	2438369	2457402	2245666	2505733	2961906	2459632	3421000	1738312	1770742	3025869	3428046	3456425	3203814
PC(36:3) A	99818	89716	103311	83558	32671	80910	63462	75074	74697	61251	118787	178599	120783	213241	67204	67570	180713	247348	239827	166270
PC(36:3) B	102706	91273	107358	86926	31619	82510	63210	75714	74650	64094	105607	158000	104878	181414	55621	56889	158641	209240	203799	136382
PC(36:4) A	6081	5522	5872	5162	2649	5328	4304	4875	4744	4408	4096	5741	4474	6671	2918	3117	6364	2027	7756	5346
PC(36:4) B	24244	22308	24781	20536	7771	20714	16505	18786	19308	16085	22996	32281	23180	37905	13306	13930	33206	42350	41271	28532
PC(36:4) C	281997	250185	286187	238047	86874	238102	179724	213083	220977	184855	295409	420243	305243	456823	151498	154611	437798	526171	517346	332990
PC(36:5) C	8716	7761	8173	7455	3854	8001	5995	6870	6426	5515	5427	7164	5324	8064	3617	3788	8149	9526	9519	6066
PC(36:5) D	14713	14035	15361	12881	6481	13687	11227	12047	12636	11041	15385	20175	15890	22525	10540	10877	23392	26786	27972	17394
PC(36:5)A	812	374	733	710	446	1031	515	599	646	550	575	423	673	840	274	453	636	891	771	678
PC(36:6)	2425	2883	3013	1954	631	2473	2286	2578	2746	1807	2034	2672	2011	2862	1587	1148	3455	4205	3800	2183
PC(37:2)	6787					5743					615	8763	5278	10882	612	1098	1275	10201	11131	8495
PC(37:4)	3220	2803	3258	2566	1044	2618	2234	2627	2442	2026	2997	5201	3092	5204	1604	1807	4865	6520	5996	3402
PC(37:5)	3633	3703	3147	3326	1245	2084	2795	2522	2778	2322	4202	4474	5483	9336	2561	3391	6225	7996	8175	6483
PC(37:6)	407	392	564	294	225	424	167	371	475	392	475	851	486	472	287	166	722	700	882	619
PC(38:1)	57010	50044	51340	45152	21670	49091	41985	48299	44645	39961	28348	33364	26947	41719	18287	18953	42015	48544	51975	33161
PC(38:2)	275154	250501	265983	232637	90052	240377	208233	221724	228300	197439	225944	281340	217266	370433	127178	129880	282186	336550	343328	335068
PC(38:4) A	27118	23534	26831	21759	9493	22383	18073	21547	20656	17684	23625	32864	24510	41434	13950	14362	37874	50208	48474	31862
PC(38:4) B	25691	22885	25856	21064	7702	20757	15217	18544	18496	16101	25284	36400	25266	42284	13218	13432	35113	46335	47237	30676
PC(38:4) C	136982	123700	132843	118759	67310	131235	106249	124717	118144	106019	161255	198846	171725	215506	119969	122963	207354	232650	240368	172132
PC(38:5) A	175454	152064	176366	142752	51066	146308	113006	132002	133155	111895	191817	280087	200002	322399	102221	103365	298551	382888	384099	241683
PC(38:6) B	249591	212808	240086	196828	72396	197154	149357	175686	188077	156980	247400	352089	251073	391121	140464	139301	360872	461833	459468	294115
PC(38:7)	4012	3548	4090	3638	1676	3604	2619	3176	3317	2866	2856	3447	2557	3445	1942	1799	4028	4473	4625	2957
PC(39:4)	622	213	829	691	342	443	529	389	811	631	1151	472	737	1173	568	409	809	1465	1707	802
PC(40:4)	9802	8114	8940	7724	2471	7856	6059	7497	6991	5638	10044	14101	10097	17660	5032	5251	14244	18417	18705	12894
PC(40:5) A	53768	47916	50332	44615	23341	49694	39695	46155	45575	38662	71958	87380	73238	99645	48042	48630	91595	105356	108395	81244
PC(40:5) B	4414	3255	4560	3642	1088	3718	2980		3421	3035	4808	6340	5098	7424	2739		6497	7857	8304	5964
PC(40:6) A	52750	47473	54484	43852	15242	44588	35202	40529	41835	34328	46810	68276	48878	81926	25573	25433	77619	100915	100118	63350
PC(40:6)B	38703	30578	35703	27751	10694	29880	21838	27492	27344	22212	40073	59162	41081	71263	21050	20611	60986	78762	80755	49639
PC(40:7) A	919	794	1070	853	44950	786	623	786	869	670	1313	263134	1311	314369	952	979	1750	2495	1559	1554
PC(40:7) B	164260	138870	156118	127530	47586	133830	106820	123426	126073	101234	205766	294345	209762	351093	120783	118613	311732	398308	399421	279521
PC(40:8)	1319	1311	1412	924	542	1487	612	1196	848	1569	1546	2675	2238	3270	1261	1643	3034	3850	3690	2471
PC(42:10)	585	407	785	662	297	845	375	381	567	281	1240	1459	1327	1750	880	781	2105	2439	2348	1539
PC(o-32:0)	274995	250519	286733	231631	74957	230700	184648	199745	205271	179507	100753	128920	95126	163860	50587	51755	127702	159135	164040	116328
PC(o-34:0)	52453	45980	48614	43531	20934	48175	38079	43967	39811	35836	25341	30026	25809	39724	17216	17549	31028	36562	38082	27923
PC(p-32:1)/PC(o-32:2)	5382	4914	5528	4736	1953	4240	4096	4150	4414	3826	4836	6455	4577	7249	2884	2941	5426	6903	6940	5735
PC(p-34:1)/PC(o-34:2)	54468	46284	53809	43847	14185	42714	32640	37718	38260	32703	39656	56157	38560	69195	21011	19668	48213	64927	64479	49619
PC(p-34:2)/PC(o-34:3)	13662	12749	16378	12866	3548	14035	7314	9358	8998	7765	23288	29614	20615	35898	11288	13600	27650	35878	35716	26188
PC(p-36:1)/PC(o-36:2) A	30473	26033	27382	23059	10872	22987	17268	22441	22109	21160	22645	29022	27362	36037	13279	15979	25230	31980	31641	30109
PC(p-36:1)/PC(o-36:2) B	35098	33255	33776	31351	15007	31329	25313	28542	28749	26429	37550	44406	36521	57166	24251	24284	47259	57224	59398	46008
PC(p-36:2)/PC(o-36:3)	43241	38196	43398	37218		33953	27546	30588		27943				14773	2774	23702				15842
PC(p-36:4)/PC(o-36:5)	30604	25846	28729	20458	6506	33286	15166	18114	17978	5466	60718	91928	63861	101035	32026	33825	75224	98921	102607	38685
PC(p-36:5)/PC(o-36:6)	9126	7750	14369	10498	2784	12665	9476	11793	10142	5842	9907	21363	12915	13754	3616	6866	10254	17498	20212	16921
PC(p-38:3)/PC(o-38:4) A																1171				
PC(p-38:3)/PC(o-38:4) B	17439	14899	16024	14032	5729	15123	11370	13092	12985	11462	15350	21959	17416	27812	9764	9950	20498	25281	25133	20063
PC(p-38:4)/PC(o-38:5) A	26786	22137	27375	22234	8737	22453	16063	19209	20269	17214	28157	43377	29978	50223	16911	16090	33981	45451	45034	34852
PC(p-38:5)/PC(o-38:6) A	24666	21566	25373	20710	7340	19493	14659	17247	17742	14868	17274	25006	17142	30324	9753	9816	25035	32623	30298	20157
PC(p-38:5)/PC(o-38:6) B	8955	8193	9426	7540	2267	7703	5575	5838	8265	5307	21647	36216	21431	37455	11489	10156	26760	31043	29951	25399
PC(p-38:6)/PC(o-38:7)	19660	19154	22456	19290	2891	19718	13465	13579	17099	16351	23352	39923	23013	30243	8497	10388	18436	28877	37946	23116
PC(p-40:3)/PC(o-40:4)	948	622	943	750	306	857	562	923	673	679	979	1414	1104	1423	528	743	1194	1489	1477	1328
PC(p-40:4)/PC(o-40:5)	6049	5265	5580	4727	1925	5069	3731	4151	4545	3871	5772	7542	5869	10365	3563	3537	7233	8974	8959	7272
PC(p-40:5)/PC(o-40:6)	13136	11486	12368	10909	4206	11632	8566	10533	10125	8480	13230	16814	13271	21549	8310	8303	16526	19674	20345	15018
PC(p-40:6)/PC(o-40:7) A	7571	6643	8576	6624	2425	6620	4683	5247	5839	4757	9460	14800	9881	16764	4910	5240	12138	15614	15561	11650
PC(p-42:4)/PC(o-42:5)	769	783	620	623	164	474	659	527	477	496	739	1013	770	1265	553	257	1040	851	1099	1071
PC(p-42:5)/PC(o-42:6) A	220	390	699	523	261	338	236	627	509	437	580	1001	612	716	152	290	537	792	733	809
PC(p-42:5)/PC(o-42:6) B	596	479	860	1016	225	557	522	714	631	698	1176	573	1351	1275	529	560	1056	1244	1059	949
PC(p-44:4)/PC(o-44:5)	330	403	243	121	98	211	96	289	178	205	333	236	341	485	195	364	460	299	346	320
PE(34:2)	37195	36879	39395	32650	17362	33075	30009	34604	31930	27577	24922	27441	19398	31033	14971	13630	34021	42630	38558	22316
PE(36:1)	469520	409316	448974	391972	172400	387742	335705	380407	367093	325726	267797	344034	260373	406453	169498	172722	354120	426637	453892	332219
PE(36:2)	380571	347987	392533	346402	141406	310074	286511	331944	290084	286571	324451	355589	260887	433832	188486	189329	393493	463936	417758	358022
PE(36:4)	25052	21503	24824	21470	10529	20758	16913	17787	18267	16931	18741	24192	18072	25130	11159	11851	28199	34503	34746	18044
PE(38:4)	141320	126399	140586	120912	52274	119991	98082	113999	111652	94774	131395	171910	129717	195494	76799	76939	208038	249776	258855	137939
PE(38:6)	17606	15957	18190	14539	6998	14362	11833	13629	13490	12552	10469	13328	10031	15805	5906	6232	16907	20255	20582	10211
PE(p-34:1)/PE(o-34:2)	252466	234299	242314	208059	96560	215419	197517	210220	203843	186761	191372	226295	175723	302277	119534	120365	230304	272912	284523	252193
PE(p-36:1)/PE(o-36:2)	135355	124903	123286	109638	55933	115877	114640	122825	115017	105033	94591	108900	91412	156805	66054	68387	130499	151691	161146	133542
PE(p-36:2)/PE(o-36:3)	17423	16297	16217	14309	6901	14784	12966	13528	13830	10832	15956	18082	13605	22548	9856	9899	17721	21369	21688	19079
PE(p-36:4)/PE(o-36:5)	70837	63717	71343	60762	29318	61521	49141	56134	54643	51138	84617	110085	83391	123924	53420	53319	96125	116962	118008	98326
PE(p-38:4)/PE(o-38:5)	63003	57097	60852	51766	25067	55712	46978	52226	50906	44262	62167	78673	62680	100793	41428	41860	80481	97002	99145	81586
PE(p-38:5)/PE(o-38:6)	49716	46495	49548	42221	20219	42805	33677	38536	39058	34758	63118	85313	62335	92980	41120	40769	71955	88648	88927	80455
PE(p-40:4)/PE(o-40:5)A	4852	4075	4233	3794	2159	4523	3558	3986	3774	3637	5120	5776	4935	6954	3498	3715	6073	6907	6933	6350
PE(p-40:5)/PE(o-40:6)	21967	20757	22076	19180	9408	19498	18066	19799	18023	16139	23116	29107	23789	37152	15052	15558	28534	34407	35338	30345
SM (d37:1)																				
SM (d38:0)																				
SM (d39:2)																				
SM (d42:0)	895	1038	863	699	290	763	572	740	627	647	1016	1241	970	1508	791	655	1553	1696	1843	1156
SM (d44:2)	865	885	808	848	401	987	645	816	809	676	1015	1323	881	1388	589	689	1265	1122	1448	1257
SM(d30:1)	119	169	103	114	108	224	166	77	65	124	247	258	178	188	96		200	152	94	217
SM(d32:1)	9604	9561	10163	8812	4375	9329	8069	8446	8479	8172	9469	12478	9593	13787	6491	6526	12214	13764	13761	11280
SM(d32:2)	969	890	781	646	396	823	879	909	806	643	941	813	802	944	530	541	1015	1139	713	971
SM(d33:1)	8032	7669	8265	6523	3917	7624	6518	7070	6603	6473	7131	8746	7051	10245	5041	4864	8214	9667	9802	7983
SM(d34:0)	13259	11955	12837	11263	4304	12034	9852	10745	9887	9573	10177	12958	9941	17718	5772	5706	12621	15393	15450	16466
SM(d34:1)	428739	390666	411123	345217	117300	352074	296820	332008	326312	311161	370970	467828	364333	566050	210414	203792	459215	566589	557371	463614
SM(d34:2)	26461	24922	27847	24763	12628	25408	21553	23618	22225	22768	22383	29174	21901	32154	14917	15054	27515	32893	32996	22700
SM(d36:0)																				1783
SM(d36:1)	17048	14760	16670	13561	5716	15176	12240	13409	12591	12021	11424	15269	11183	19866	6244	6513	16156	19439	20091	15397
SM(d36:2)	31862	28504	32330	26776	9720	28099	25126	19824	23418	23951	24904	32235	25231	39700	14713	15021	32115	40982	37694	30505
SM(d36:3)	127	125	119		62		56	99	72		73	85	125	134	45	128	67	107	57	61
SM(d38:1)	8574	7699	8210	7091	2510	7155	5968	6556	6712	5693	6136	7991	5969	11773	3396	3711	8428	11013	11471	8756
SM(d38:2)											773	2549		2677	676	585	1440	2133	2476	1779
SM(d39:1)																				
SM(d40:0)	304	515	782	653	158	1042	444	782	637	681	564	1013	679	719	468	421	1425	1419	1701	1581
SM(d40:1)	22488	20560	22238	19474	8414	19893	18323	19247	17889	17742	18643	22196	19004	30834	12756	13504	27705	32868	33596	25387
SM(d40:2) A	2490	2078	3498	3387	5659	2924	3004	3744	2588	3022	14201	18380	14547	23851	8550	2641	21801	25815	25757	17989
SM(d40:2) B	16856	16169	16609	14205	5659	15099	13696	14174	13493	12294	14201	18380	14547	23851	8550	8663	21801	25815	25757	17989
SM(d41:1)	1132				1975		925	948												
SM(d41:2) A	6120	5332	5378	4533	1833	4742	4046	4403	4366	4040	3616	5474	3765	6591	2171	2174	4962	6890	6623	5510
SM(d41:2)B			807		329										1790					
SM(d42:1)	28049	26540	26862	23620	11437	26011	24452	24973	23327	21980	27017	33053	27842	42232	19544	19947	43521	47096	50557	35648
SM(d42:2)	48497	45502	45031	39920	18252	42530	37186	40754	39752	36805	43116	56436	41058	73499	28368	28974	60905	74630	75961	64434
SM(d42:3)	4376	3898	4168	3713	1033	3353	3404	3410	3540	3076	3862	4961	3666	5670	2098	2256	5272	6080	6050	5191
SM(d43:1)					67		42	44			38	87	48	161	69	71				128
SM(d43:2)	367	513	464	262	439	346	355	452	509	354	427	534	446	571	120	297	326	292	551	587
TG (53:5)	167	240	142	264	198	166	114	201	105	160	172	131	161	189	184	145	197	213	127	132
TG(42:0)	1118	1320	1133	1101	927	1441	1068	1087	1104	1061	995	1063	934	1002	875	643	896	888	1158	1147
TG(42:1)	391	586	533	397	497	635	378	450	520	524	409	475	636	615	493	386	568	451	440	555
TG(42:2)	242	179	217	183	138	135	244	112	136	159	192	130	186	184	233	215	198	171	206	175
TG(44:0)	3879	3901	3838	3453	2116	3483	3013	2903	3412	3065	2165	2226	2243	2336	1804	2097	2514	2592	2894	3249
TG(44:1)	992	1022	962	979	584	1112	912	772	1228	688	980	776	632	840	726	556	957	1010	681	900
TG(44:2)	106	237	376	241	333	491	298	109	167	407	159	420	282	342	152	305	215	401	257	234
TG(46:0)	13837	13399	14034	13109	6614	13463	10014	10607	11295	10855	6097	6834	6599	7739	4594	4818	7058	7638	9828	10304
TG(46:1)	4666	4802	4408	4391	2361	4344	3791	3758	4227	3860	3534	3670	3330	4469	2763	2449	4265	4417	5033	6036
TG(46:2)	639	783	660	530	525	781	768	636	530	879	563	650	653	692	530	639	672	693	616	767
TG(46:3) A	319	123	220	311	290	358	231	347	250	230	299	345	346	388	293	149	94	303	326	228
TG(46:3) B	75	80	69	86	55	137	74	67	116	77	96	93	90	73	103	75	59	122	132	53
TG(46:4) A	158	220	183	208	88	126	239	160	153	163	135	234	247	218	247	110	134	217	203	124
TG(48:0)	33094	29823	32420	29303	13618	30893	22096	24787	26187	25139	14401	18398	14764	19139	10479	9729	16969	17679	24244	25518
TG(48:1)	22556	22135	22822	22227	7789	21157	17306	18717	18792	17826	16327	19651	16255	22649	10792	10552	19396	22029	26662	29994
TG(48:2)	3075	2680	3318	3178	1382	3144	2226	2913	2616	2818	3058	3372	2750	3835	2029	1955	3458	3554	4137	4685
TG(48:3)	314	362	373	492	356	262	270	220	206	164	243	388	322	393	295	218	410	390	258	380
TG(48:4) A	247	214	183	296	181	167	129	207	180	171	238	270	224	145	212	207	207	101	219	182
TG(48:5)	122	102	83	114	179	91	91	68	82	144	86	94	108	71	84	93	104	117	139	177
TG(49:1)	1643	1943	1825	1777	996	1939	1496	1536	1697	1634	1606	2090	1950	2392	1433	1269	1769	2248	2395	2441
TG(49:2)	574	713	614	610	497	474	530	597	513	648	667	789	588	577	580	426	853	809	763	1277
TG(49:3)	146	160	166	151	143	196	116	68	38	128	131	65	86	86	143	217	108	169	207	107
TG(50:1)	79779	75289	78940	76033	28574	73067	62345	64489	64311	63478	66236	88258	69487	99297	43652	39677	75421	89675	111095	131711
TG(50:2)	16401	14266	16872	16670	5861	15230	12025	14228	13895	12130	16949	20995	17646	23856	12019	11777	19014	21412	25980	29021
TG(50:3) A	1214	1213	1489	1065	707	1246	904	1506	1162	1444	1559	1982	1672	2334	1370	1460	1831	2400	2329	2468
TG(50:4)	211	287	185	144	349	313	339	272	328	325	244	354	403	258	187	141	214	361	377	289
TG(50:5)	274	308	333	215	245	204	242	309	224	374	294	227	294	290	173	295	268	217	256	355
TG(51:1)	2261	2212	1853	1901	969	2074	1704	1671	1560	1584	2183	3089	2314	3266	1714	1710	2888	2986	3439	4058
TG(51:2)	1585	1433	1483	1274	741	1397	1147	1228	1173	1102	2681	2565	2259	3295	1748	1060	2416	2835	2548	3470
TG(51:3)	151	358	286	245	207	293	322	410	265	233	239	447	403	357	268	235	260	419	506	397
TG(51:4)	274		256	130	180	128	299	221	150	225	113	134	179	257	270	142	169	191	207	177
TG(52:1)	46160	44327	41190	46503	18718	43924	37326	40687	40577	39936	59687	78835	66746	90293	44017	41830	73046	75300	100965	110844
TG(52:2)	56529	52397	55985	55331	21078	50279	44473	48721	46187	44143	92090	125775	97804	152078	63312	59439	104881	124065	148165	182467
TG(52:3)	5701	5418	6247	5475	2578	4945	4588	5479	4682	4189	9368	11913	10016	12949	6988	7348	10299	10511	12622	12341
TG(52:4)	1114	1160	991	1305	639	1136	776	844	890	1159	1506	1782	1650	1513	1052	1073	1715	1532	1839	1287
TG(52:5)	391	433	444	338	256	444	258	400	493	386	415	516	501	453	300	341	473	381	729	409
TG(52:6)	393	314	406	335	229	261	337	299	392	202	336	456	546	355	332	293	441	380	407	304
TG(53:1)	1197	1156	814	1252	702	1068	1348	1038	1197	940	2908	3445	3122	3930	1655	1526	2928	3127	3901	4833
TG(53:2)	367	657	405	807	229	451	421	218	366	499	2283	3101	2443	4354	1278	942	1967	2389	3112	5927
TG(53:3)	562	284	512	416	251	490	311	586	426	503	1100	1363	1355	1500	917	911	1218	1348	1761	1691
TG(53:4)	252	224	148	161	191	275	227	219	157	228	62	364	197	389	146	77	246	179	282	321
TG(54:1)	19401	18865	16088	18488	8031	18887	15399	17525	16515	16677	28617	35082	28985	41236	21779	21117	31944	30054	42519	48431
TG(54:2)	19720	19023	14862	18011	6935	16831	16450	17315	16822	14629	46690	62377	50430	76143	36588	34885	52641	54882	70204	90455
TG(54:3)	15123	13317	13526	12576	4811	12320	11030	12762	10867	10500	35888	48879	38765	59150	26132	24840	37827	42617	54300	67583
TG(54:4)	2133	2299	2014	2310	1206	2319	1889	2044	2335	1760	4579	5199	4531	5067	3727	3336	4451	4527	5247	4462
TG(54:5) A	1188	1043	1050	794	705	1167	973	947	1118	885	1421	1927	1881	1465	1342	1177	1536	1561	1579	1578
TG(54:5) B	3138	2757	2797	3159	1211	2323	2248	2945	2563	2494	5587	6781	5007	6645	3742	3548	6018	6640	7173	5373
TG(54:6) A	293	291	402	468	357	310	376	549	590	210	382	600	754	474	516	329	472	366	690	706
TG(54:6) C	754	446	682	573	359	551	667	658	592	504	1055	1315	1134	1230	663	788	1062	1429	1435	1195
TG(54:7) A	233	275	164	266	272	165	163	161	259	170	275	221	267	231	193	314	242	260	314	224
TG(54:7) B	318	272	190	284	213	256	217	173	274	150	243	235	295	299	377	258	395	425	422	380
TG(54:8)	84	157	155	139	35	93	157	86	166	77	159	148	153	84	248	119	181	91	116	122
TG(55:1)	1570	2037	1515	1781	864	1969	1466	1162	1810	1741	3227	3458	1889	4683	1780	2199	3079	2085	3994	3781
TG(55:2)	535	332	543	668	194	499	485	445	519	456	1434	2013	1397	2313	1147	1305	1234	1587	2004	2394
TG(55:3)	288	164	248	164	237	210	99	236	220	277	874	1150	804	1459	704	741	783	1136	896	1549
TG(56:1)	23975	24872	21189	23835	11682	25257	18929	21016	24269	22700	27032	31460	26893	39551	18793	17666	24912	21917	35956	40564
TG(56:2)	7004	7159	7056	7606	2866	6499	6052	6790	7041	6008	19707	25913	19607	29768	15840	14115	19120	18716	26946	35544
TG(56:3)	2734	3179	2774	2791	1201	2745	2287	2672	2299	2121	11250	15867	12419	18918	8676	8098	11475	11919	14849	21885
TG(56:4)	1988	1764	1857	2063	921	1856	1434	1546	1599	1490	5706	7580	5892	8090	4193	4646	5667	6020	7472	8771
TG(56:5) A	446	434	441	360	191	520	86	475	513	327	894	810	1450	2354	853	801	1574	1661	2265	2004
TG(56:5) B	1064	938	1032	1171	525	976	635	1065	903	1315	2126	3939	2208	4000	2421	2345	2657	3377	3464	4256
TG(56:5) C	1861	1648	1785	1742	742	1618	1216	1285	1379	1713	4266	5904	4443	5479	3376	3168	4352	5391	6176	5654
TG(56:6)	2685	1935	2025	2246	720	1903	1598	2042	1687	1721	5755	6750	5516	7271	3939	3595	5592	6845	7325	6452
TG(56:7) A	594	477	451	194	194	543	409	526	358	389	685	708	805	1164	617	723	599	571	1090	542
TG(56:7) B	1055	1478	973	1218	303	1221	1142	938	1249	1121	3295	3549	3279	3914	2555	2287	3256	3614	4468	3215
TG(56:8) A	166	223	145	271	192	139	257	274	286	236	256	264	293	187	244	248	181	246	213	200
TG(56:8) B	221	248	377	310	111	129	252	176	174	124	242	421	336	470	325	295	229	499	477	368
TG(56:9)	46	99	91	112	108	187	104	92	130	53	85	115	76	219	115	111	91	110	152	47
TG(57:1)	1327	1387	987	1395	824	1379	951	715	1151	1101	1380	1702	1268	2061	1063	894	1212	1070	1728	2118
TG(57:2)	1156	1033	921	1149	621	1216	1024	1079	1160	1032	2380	2235	2627	4032	1850	1671	2529	2375	3022	3743
TG(58:0)	3998	4164	6573	5688	6284	11519	2857	6321	5342	4936	6497	6282	6176	6195	4874	5111	4918	3248	5064	4570
TG(58:1)	22147	23739	21320	22958	11376	26771	17441	19961	19859	20831	19468	23264	19449	30196	12901	12692	18088	15965	23765	26872
TG(58:10)	39	72	38	83	46	71	63	44	35	123	46	69		41	60	85	57	134	108	57
TG(58:2)	20141	22111	18714	21476	10051	20614	16998	17957	20825	18858	33788	41699	32934	53212	23054	21959	31110	28301	44450	58526
TG(58:3)	1960	1875	2000	2083	1119	2015	1806	1956	2003	1853	8613	11269	8669	11599	6320	5807	7803	7106	9494	15875
TG(58:4)	354	415	412	407	242	480	360	455	252	320	2046	2812	2251	3390	1645	1527	2109	2046	2592	3558
TG(58:5)	170	205	127	274	113	198	92	174	126	113	359	617	420	749	361	435	410	393	653	691
TG(58:6)	741	521	604	510	243	738	388	892	389	579	2387	3241	2681	3523	1981	1608	2426	2750	2858	1896
TG(58:8)	352	493	166	206	176	274	270	85	327	211	1184	1268	1252	1392	614	846	1293	1301	1611	1146
TG(58:9)	256	142	99	143	112	169	184	142	156	90	334	347	407	379	181	235	343	371	408	257
TG(59:2)	950	976	744	928	429	941	667	819	824	626	1135	1835	1520	1985	900	1130	763	1137	1544	2425
TG(59:3)	427	476	338	491	128	355	322	488	182	298	1165	1404	1123	2233	1005	1031	1035	1119	1498	1931
TG(60:1)	16265	16510	14576	17213	8458	18410	13288	15087	15962	15042	13831	15506	14358	19767	8727	9408	11992	11329	15500	18019
TG(60:2)	14941	16788	13469	15275	7113	15195	12491	13019	13073	12938	19101	24075	19817	33861	12307	11889	17192	17304	24271	33847
TG(60:3)	6589	7238	6459	6886	3172	6857	5550	6060	7105	6293	15811	20292	15746	25133	10942	10632	14028	13605	19206	27756
TG(60:4)	742	667	633	631	342	604	483	618	441	559	2993	4146	3246	4130	2553	2231	1209	1574	3229	3141
TG(62:1)	4682	4555	4306	4903	2361	5461	3898	4066	4770	4419	4764	4539	4689	6135	3344	3272	3787	3438	4761	5714
TG(62:2)	6536	6854	6108	6610	3464	6861	5791	5980	6489	5928	8455	10617	9153	13327	5348	5330	7282	7180	10355	14863
TG(62:3)	3379	4002	3198	3683	1604	3545	2910	2635	3180	3072	7532	9574	7375	13105	4968	4792	6309	6301	8417	13370
TG(62:4)	1142	1402	1265	1286	552	1056	1057	1104	1372	1081	3951	5410	4324	5562	2766	2785	3027	3280	4831	6481
TG(64:2)	2338	2314	1847	2190	964	2333	1862	1727	2314	2130	3212	3752	3489	4885	2236	2186	2417	2634	3055	4703
TG(64:3)	1420	1448	1346	1598	856	792	1287	1040	1540	1151	3089	3883	3457	5040	1667	2227	1903	2165	3296	5649
TG(64:4)	484	478	375	436	53	197	343	254	433	450	1484	2924	1631	3179	1337	1514	1515	1528	1615	3051
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	InChI Key	Species	quantified m/z	retention times
CE(22:1) iSTD	SQHUGNAFKZZXOT-JWTURFAQSA-N	[M+NH4]+	1076.0135	11.81
Cer(d18:1/17:0) iSTD	ICWGMOFDULMCFL-QKSCFGQVSA-N	[M+H]+	534.5242	6.04
Cholesterol d7 iSTD	HVYWMOMLDIMFJA-IFAPJKRJSA-N	[M-H2O+H]+	376.3957	4.86
CUDA iSTD	HPTJABJPZMULFH-UHFFFAOYSA-N	[M+H]+	341.2806	0.77
DG(12:0/12:0/0:0) iSTD	OQQOAWVKVDAJOI-VWLOTQADSA-N	[M+NH4]+	495.3461	4.296666667
DG(18:1/2:0/0:0) iSTD	PWTCCMJTPHCGMS-YRBAHSOBSA-N	[M+NH4]+	421.293	3.173333333
LPC(17:0) iSTD	SRRQPVVYXBTRQK-XMMPIXPASA-N	[M+H]+	510.3556	1.84
LPE(17:1) iSTD	LNJNONCNASQZOB-HEDKFQSOSA-N	[M+H]+	466.293	1.35
MG(17:0/0:0/0:0) iSTD	SVUQHVRAGMNPLW-UHFFFAOYSA-N	[M+NH4]+	367.281	3.05
PC(12:0/13:0) iSTD	FCTBVSCBBWKZML-WJOKGBTCSA-N	[M+H]+	636.4604	3.53
PE(17:0/17:0) iSTD	YSFFAUPDXKTJMR-DIPNUNPCSA-N	[M+H]+	720.5533	6.38
SM(d18:1/17:0) iSTD	YMQZQHIESOAPQH-JXGHDCMNSA-N	[M+H]+	717.5894	5.13
Sphingosine(d17:1) iSTD	RBEJCQPPFCKTRZ-LHMZYYNSSA-N	[M+H]+	286.275	1.03
TG d5(17:0/17:1/17:0) iSTD	OWYYELCHNALRQZ-ADIIQMQPSA-N	[M+NH4]+	869.8309	11.13
AC(10:0)	LZOSYCMHQXPBFU-UHFFFAOYSA-N	[M+H]+	316.2503	0.57
AC(10:1)	GOOOCIIXFLVRAG-UHFFFAOYSA-N	[M+H]+	314.232	0.53
AC(12:1)		[M+H]+	342.2622	0.65
AC(14:2)	HXOGMKPCIDSSKJ-NKBLVAAJSA-N	[M+H]+	368.2792	0.71
AC(16:0)	XOMRRQXKHMYMOC-OAQYLSRUSA-N?	[M+H]+	400.3439	1.58
AC(18:1)	HITOYGLMAFIRNI-YSESTWPTSA-N	[M+H]+	426.3577	1.73
AC(18:2)	MJLXQSQYKZWZCB-DQFWFXSYSA-N	[M+H]+	424.3436	1.32
CE(16:1)	HODJWNWCVNUPAQ-FSAOOAOSSA-N	[M+Na]+	645.5568	10.43
CE(18:1)	RJECHNNFRHZQKU-RMUVNZEASA-N	[M+Na]+	673.5898	10.99
CE(18:2)	NAACPBBQTFFYQB-LJAITQKLSA-N	[M+NH4]+	1017.9407	10.51666667
CE(18:3)	FYMCIBHUFSIWCE-WVXFKAQASA-N	[M+NH4]+	669.5598	10.105
CE(20:3)	MLPRJPSMAFZPLA-PJSAOELNSA-N	[M+NH4]+	697.5928	10.58
CE(20:4)	IMXSFYNMSOULQS-BEDFLICRSA-N	[M+NH4]+	695.5732	10.27
CE(20:5)	XZFUGMCJZFRBKF-JIKDAPOUSA-N	[M+Na]+	693.5574	9.82
CE(22:6)	VOEVEGPMRIYYKC-HNJOWPRISA-N	[M+Na]+	719.573	10
Cer(d34:1)		[M+H]+	538.5183	5.703333333
Cer(d36:1)		[M+H]+	566.5504	6.4
Cer(d38:1)		[M+H]+	594.5817	7.09
Cer(d40:1)	KEPQASGDXIEOIL-GLQCRSEXSA-N	[M+H]+	622.612	7.775
Cer(d41:1)	NAJHAHQNQCNWOP-PUYNVXOJSA-N	[M+H]+	636.6285	8.1
Cer(d42:1)	ZJVVOYPTFQEGPH-AUTSUKAISA-N	[M+H]+	650.6438	8.41
Cer(d42:2) A	VJSBNBBOSZJDKB-KPEYJIHVSA-N	[M+H]+	648.6258	7.74
Cer(d42:2) B	VJSBNBBOSZJDKB-KPEYJIHVSA-N	[M+H]+	630.6168	7.86
Cholesterol	HVYWMOMLDIMFJA-DPAQBDIFSA-N	[M-H2O+H]+	369.3522	4.89
DG(32:1)	XEQQGHISHUGMIP-ASUORMEESA-N	[M+NH4]+	584.5203	6.31
DG(34:0)		[M+Na]+	619.5252	7.61
DG(34:1)	YEJYLHKQOBOSCP-OZKTZCCCSA-N	[M+NH4]+	633.4887	7
DG(34:2)	SVXWJFFKLMLOHO-YAIZGCQRSA-N	[M+NH4]+	610.5454	6.455
DG(36:1)	SAEPUUXWQQNLGN-LVVMQYBKSA-N	[M+Na]+	645.5408	7.66
DG(36:2)	AFSHUZFNMVJNKX-LLWMBOQKSA-N	[M+NH4]+	638.579	7.05
DG(36:3)	BLZVZPYMHLXLHG-JOBMVARSSA-N	[M+NH4]+	641.5128	6.52
DG(36:4) A	MQGBAQLIFKSMEM-ZHARMHCNSA-N	[M+NH4]+	634.5394	5.99
DG(36:6)		[M+K]+	651.4289	5.18
GlcCer(d34:1)		[M+H]+	862.6236	4.866666667
GlcCer(d40:1)	QMYGQSYNQBLKGY-YAEABVQUSA-N	[M+H]+	784.6645	7.11
GlcCer(d42:1)	SNVYJLGKALMFOP-MOLROICHSA-N	[M+H]+	812.6954	7.76
GlcCer(d42:2)	WBOZIXHPUPAOIA-RBELZSLISA-N	[M+H]+	810.6809	7.083333333
Lactosylceramide (d18:1/24:1(15Z))	MKOKWBRPIBQYJJ-LWQSSKHKSA-N	[M+H]+	972.7347	6.81
LPC (20:0)	UATOAILWGVYRQS-HHHXNRCGSA-N	[M+H]+	552.4034	3.07
LPC (20:1)	GJTDRNFWIDPARY-GTPZACKGSA-N	[M+H]+	550.3866	2.41
LPC (20:2)	YYQVCMMXPIJVHY-ZOIJLGJPSA-N	[M+H]+	548.3715	1.82
LPC (22:6)	LSOWKZULVQWMLY-APPDJCNMSA-N	[M+H]+	568.3398	1.15
LPC (o-16:0)	VLBPIWYTPAXCFJ-DEOSSOPVSA-N	[M+H]+	482.3659	1.76
LPC (p-16:0) or LPC (o-16:1)	HTZINLFNXLXRBC-CQLBIITFSA-N	[M+H]+	480.3401	1.7
LPC (p-18:0) or LPC (o-18:1)		[M+H]+	508.3762	1.91
LPC(14:0)	VXUOFDJKYGDUJI-OAQYLSRUSA-N	[M+H]+	468.3094	0.98
LPC(15:0)	RJZVWDTYEWCUAR-JOCHJYFZSA-N	[M+H]+	482.3261	1.2
LPC(16:0)	ASWBNKHCZGQVJV-HSZRJFAPSA-N	[M+H]+	496.3401	1.49
LPC(16:1)	LFUDDCMNKWEORN-ZXEGGCGDSA-N	[M+H]+	494.3238	1.09
LPC(18:0)	IHNKQIMGVNPMTC-RUZDIDTESA-N	[M+H]+	524.3709	2.26
LPC(18:1)	YAMUFBLWGFFICM-PTGWMXDISA-N	[M+H]+	522.3552	1.64
LPC(18:2)	SPJFYYJXNPEZDW-FTJOPAKQSA-N	[M+H]+	520.3397	1.23
LPC(18:3)	WKQNRCYKYCKESD-YVHLTTHBSA-N	[M+H]+	518.3251	0.99
LPC(20:3)	BBNHCUBQEQJHIG-FZZJNMCHSA-N	[M+H]+	546.3559	1.43
LPC(20:4)	GOMVPVRDBLLHQC-VEJNOCSESA-N	[M+H]+	544.3394	1.2
LPC(20:5)	PDIGSOAOQOXRDU-WJPZTBRDSA-N	[M+H]+	542.3251	0.96
LPC(22:5)	PDIGSOAOQOXRDU-WJPZTBRDSA-N	[M+H]+	570.3561	1.3
LPE(18:0)		[M+H]+	482.3252	2.32
LPE(18:2)		[M+H]+	478.2947	1.26
LPE(20:4)		[M+H]+	502.2961	1.15
PC (16:0/9:0(CHO))	PPTNNIINSOQWCE-WJOKGBTCSA-N	[M+H]+	650.4379	2.39
PC (37:3)	OOYQEEUUQRMQKL-JUUDQZDJSA-N	[M+H]+	798.6008	5.49
PC (39:6)	QMCWOGICYCFNBF-BWHZRABLSA-N	[M+H]+	820.5824	5.14
PC (42:5)	APYSSUSAYQRESE-VZWUYPTESA-N	[M+H]+	864.6444	6.14
PC (42:6)	DSVRMAGYENFTLY-GDDYDVMSSA-N	[M+H]+	862.6357	5.79
PC (p-32:0) or PC (o-32:1)	KEVGQWGZKKFGDC-MCBGMKGZSA-N	[M+H]+	718.5704	5.82
PC (p-36:3) or PC (o-36:4)	PYVYDRMXPDZRIS-FINMKEMFSA-N	[M+H]+	768.5889	5.38
PC (p-38:2) or PC (o-38:3)	VXNFJZDUQIFCMO-WCXGAVHKSA-N	[M+H]+	798.6368	6.33
PC (p-42:3) or PC (o-42:4)	WSHCLKDGQAEXNQ-MRGADFHSSA-N?	[M+H]+	852.683	7.37
PC 30:0e;	BYMZZQJJOHDZOU-UHFFFAOYNA-N	[M+H]+	692.5603	5.25
PC 30:1;	XGGMHQYOVYWRLV-VLGSPTGONA-N	[M+H]+	704.5229	4.38
PC 33:1e;	FNLKLGBEVPYDKU-DQRAZIAONA-N	[M+H]+	732.5886	5.66
PC 34:1e;	LKFUTNGOWZWVPC-MRCUWXFGNA-N	[M+H]+	746.6048	5.99
PC 36:0;	NRJAVPSFFCBXDT-UHFFFAOYNA-N	[M+H]+	790.6329	6.85
PC 36:1e;	CTZJPIRYGNJXMR-MRCUWXFGNA-N	[M+H]+	774.636	6.67
PC 36:3e;	XOKBOEDLYBAAIS-KYYVITJFNA-N	[M+H]+	770.6046	5.65
PC 40:0;	YKIOPDIXYAUOFN-UHFFFAOYNA-N	[M+H]+	846.6932	8.13
PC 42:0;	QFFSGJSMHPWZOB-UHFFFAOYNA-N	[M+H]+	874.7247	8.72
PC 42:2;	LZCAQCSFNYERJW-HKOLQMFGNA-N	[M+H]+	870.6937	7.56
PC 44:2;	SDEURMLKLAEUAY-YEUCEMRANA-N	[M+H]+	898.7256	8.15
PC(28:0)	CITGlcJVPOWHKC-UUWRZZSWSA-N	[M+H]+	678.5065	4.29
PC(30:0)	RFVFQQWKPSOBED-PSXMRANNSA-N	[M+H]+	706.542	4.885
PC(31:0)	NPGWXTIWUUFYAB-DIPNUNPCSA-N	[M+H]+	720.5562	5.19
PC(31:1)	QFVHCMLUKNHDSH-WTWBAFHPSA-N	[M+H]+	718.538	4.67
PC(32:0)	KILNVBDSWZSGLL-KXQOOQHDSA-N	[M+H]+	734.5693	5.53
PC(32:1)	QIBZFHLFHCIUOT-NPBIGWJUSA-N	[M+H]+	732.5535	4.975
PC(32:2)	GPWHCUUIQMGELX-VHQDNGOZSA-N	[M+H]+	730.5379	4.5
PC(33:0)	FHENRYRLCPXONH-LDLOPFEMSA-N	[M+H]+	748.5833	5.74
PC(33:1)	OFRWLQSOUIZELQ-VEAYGOGPSA-N?	[M+H]+	746.5688	5.28
PC(33:2)	SBNDHGBVMZMSNL-UESLNCBNSA-N	[M+H]+	744.5536	4.79
PC(34:0)	PZNPLUBHRSSFHT-RRHRGVEJSA-N	[M+H]+	762.6015	6.19
PC(34:1)	WTJKGGKOPKCXLL-VYOBOKEXSA-N	[M+H]+	760.5865	5.6
PC(34:2)	JLPULHDHAOZNQI-ZTIMHPMXSA-N	[M+H]+	758.5705	5.09
PC(34:3) A	VKVSSDKCKXJFIM-AFYHZPHLSA-N	[M+H]+	756.553	4.59
PC(34:3) B	VKVSSDKCKXJFIM-AFYHZPHLSA-N	[M+H]+	756.5531	4.68
PC(34:3) C	VKVSSDKCKXJFIM-AFYHZPHLSA-N	[M+H]+	756.553	4.78
PC(34:4)	YWDDIWXKFJEMKF-JTZVLWBESA-N	[M+H]+	754.5377	4.42
PC(35:1)	MFHIZGSSDZJFKD-IYEJTHTFSA-N	[M+H]+	774.5993	5.93
PC(35:2) A	MJWAVUYQCBFFHQ-WESJWMGVSA-N	[M+H]+	772.5847	5.34
PC(35:2) B	MJWAVUYQCBFFHQ-WESJWMGVSA-N	[M+H]+	772.5846	5.43
PC(35:3)	AYXGHIQPMDYMJC-AHMBLZLYSA-N	[M+H]+	770.5693	4.88
PC(35:4)	OROZWUJCDDCYAU-IPUAOQJZSA-N	[M+H]+	768.5536	4.71
PC(36:1)	ATHVAWFAEPLPPQ-VRDBWYNSSA-N	[M+H]+	788.6168	6.26
PC(36:2)	SNKAWJBJQDLSFF-NVKMUCNASA-N	[M+H]+	786.6017	5.75
PC(36:3) A	BXRLDROZWDUSGM-ZRYFCQOPSA-N	[M+H]+	784.5851	5.165
PC(36:3) B	WZCLAXMADUBPSG-RIXBAXMTSA-N	[M+H]+	784.5853	5.265
PC(36:4) A	NKQPOVROGSWLTO-NVPMBMBWSA-N	[M+H]+	782.5688	4.72
PC(36:4) B	IIZPXYDJLKNOIY-JXPKJXOSSA-N	[M+H]+	782.5688	4.88
PC(36:4) C	IIZPXYDJLKNOIY-JXPKJXOSSA-N	[M+H]+	782.5703	5.01
PC(36:5) C	SUZYROYNFNQALJ-MHEIZRSESA-N	[M+H]+	780.5536	4.5
PC(36:5) D	SUZYROYNFNQALJ-MHEIZRSESA-N	[M+H]+	780.5532	4.61
PC(36:5)A	SUZYROYNFNQALJ-MHEIZRSESA-N	[M+H]+	780.5532	4.32
PC(36:6)	SPWBDEZMKCRQSX-NGPPOSSDSA-N	[M+H]+	778.5396	4.28
PC(37:2)	MCZUABDVGPPWPM-HJTCUGKVSA-N	[M+H]+	800.6157	6.08
PC(37:4)	QRPUCJXFPYFTMB-FBFLODOBSA-N	[M+H]+	796.5832	5.23
PC(37:5)		[M+H]+	794.5715	4.9
PC(37:6)	GEINPYKZLFHHIL-GlcXMCQTSA-N	[M+H]+	792.5548	4.56
PC(38:1)		[M+H]+	816.6507	6.92
PC(38:2)	KXXLFCAPKGRXBT-FMJYHZMHSA-N	[M+H]+	814.6325	6.35
PC(38:4) A	PSVRFUPOQYJOOZ-QNPWAGBNSA-N	[M+H]+	810.5996	5.33
PC(38:4) B	PSVRFUPOQYJOOZ-QNPWAGBNSA-N	[M+H]+	810.5999	5.46
PC(38:4) C	PSVRFUPOQYJOOZ-QNPWAGBNSA-N	[M+H]+	810.6022	5.65
PC(38:5) A	SUACBSWYGWBPFC-GPUJSUHJSA-N	[M+H]+	808.585	5.06
PC(38:6) B	PLZBTDKJYHXIEW-DZUXOTHRSA-N	[M+H]+	806.5701	4.865
PC(38:7)	BNNUJTATKJXKJP-XCDHYEIISA-N	[M+H]+	804.5543	4.35
PC(39:4)		[M+H]+	824.6158	5.98
PC(40:4)	FHUAYOMRHXZKHT-JUGJLYODSA-N	[M+H]+	838.6311	6.12
PC(40:5) A	IJTJDJOOHZVSAC-NDRUHXFFSA-N	[M+H]+	836.6161	5.67
PC(40:5) B	SFESOYFQZQJCOY-FXYWPAEZSA-N	[M+H]+	836.6161	5.91
PC(40:6) A	KZSXWBSDQDXESU-PPEVQBTRSA-N	[M+H]+	834.6027	5.15
PC(40:6)B	TYRTWVKQVGNGSZ-RGBTVBCDSA-N	[M+H]+	834.6	5.47
PC(40:7) A	BPUROMFCPFGBOT-ZEGPSQTJSA-N	[M+H]+	832.5848	4.78
PC(40:7) B	BPUROMFCPFGBOT-ZEGPSQTJSA-N	[M+H]+	832.5847	4.9
PC(40:8)	SIMZOWLEIOYZJX-VRCXRDLJSA-N	[M+H]+	830.5683	4.5
PC(42:10)		[M+H]+	854.5724	4.36
PC(o-32:0)	SVWBXNAUENUONE-LDLOPFEMSA-N	[M+H]+	720.5897	5.915
PC(o-34:0)	ZKTXOJMFIAILJG-VQJSHJPSSA-N	[M+H]+	748.6205	6.61
PC(p-32:1)/PC(o-32:2)	FZMYLOBGNYZPQO-QLSONYGBSA-N	[M+H]+	716.5589	4.89
PC(p-34:1)/PC(o-34:2)	MBRHHFWRXQYYAN-JEPFLRBFSA-N	[M+H]+	744.5889	5.48
PC(p-34:2)/PC(o-34:3)	QEWRXEALGMKRGP-MZWPLUPDSA-N	[M+H]+	742.5718	5.38
PC(p-36:1)/PC(o-36:2) A	ZYLPVUZBZNMVMR-ZBBHDILGSA-N	[M+H]+	772.6201	6.15
PC(p-36:1)/PC(o-36:2) B	ZYLPVUZBZNMVMR-ZBBHDILGSA-N	[M+H]+	772.6173	6.56
PC(p-36:2)/PC(o-36:3)	DIHWZUCEXWUHOD-IIVNATNGSA-N	[M+H]+	770.6049	6.05
PC(p-36:4)/PC(o-36:5)	RWVKPDIHPPTVRQ-HWGQMOSASA-N	[M+H]+	766.5709	5.27
PC(p-36:5)/PC(o-36:6)		[M+H]+	764.5576	4.87
PC(p-38:3)/PC(o-38:4) A	GWBOVQHRCURSPU-QMFAPAEZSA-N	[M+H]+	796.6181	5.85
PC(p-38:3)/PC(o-38:4) B	GWBOVQHRCURSPU-QMFAPAEZSA-N	[M+H]+	796.6183	6.03
PC(p-38:4)/PC(o-38:5) A	YPAPIRJFGNBODV-AMFPDOHCSA-N	[M+H]+	794.6041	5.43
PC(p-38:5)/PC(o-38:6) A	FAKYQMLQEAQOLK-LHZZQLRFSA-N	[M+H]+	792.5881	5.19
PC(p-38:5)/PC(o-38:6) B	FAKYQMLQEAQOLK-LHZZQLRFSA-N	[M+H]+	792.5889	5.32
PC(p-38:6)/PC(o-38:7)		[M+H]+	790.5735	5.09
PC(p-40:3)/PC(o-40:4)	RDNHPNJCALITSY-MBZSPAKGSA-N	[M+H]+	824.6519	6.72
PC(p-40:4)/PC(o-40:5)	UWNFEVACEPZILS-RNNLSGHUSA-N	[M+H]+	822.6352	6.06
PC(p-40:5)/PC(o-40:6)	KUHMJRMPHBRAMY-DDURNVNNSA-N	[M+H]+	820.6205	5.83
PC(p-40:6)/PC(o-40:7) A	XUVCLJCZWPTAIO-OAKHYACESA-N	[M+H]+	818.604	5.25
PC(p-42:4)/PC(o-42:5)	NLEDXBSUDVLSEN-UFFJXODHSA-N	[M+H]+	850.6678	6.7
PC(p-42:5)/PC(o-42:6) A	QZMFOSCFDWPISC-KQHSIIGPSA-N	[M+H]+	848.6517	6.14
PC(p-42:5)/PC(o-42:6) B	QZMFOSCFDWPISC-KQHSIIGPSA-N	[M+H]+	848.6504	6.58
PC(p-44:4)/PC(o-44:5)	CEZAZXUWDFPTTE-FHIJIHMSSA-N	[M+H]+	878.6984	7.34
PE(34:2)	HBZNVZIRJWODIB-NHCUFCNUSA-N	[M+H]+	716.5275	5.19
PE(36:1)	JQKOHRZNEOQNJE-ZZEZOPTASA-N	[M+H]+	746.5699	6.45
PE(36:2)		[M+H]+	744.5665	5.93
PE(36:4)	KZLUVTCXBFEIFJ-XGLJQOENSA-N	[M+H]+	740.5233	5.17
PE(38:4)	ANRKEHNWXKCXDB-BHFWLYLHSA-N	[M+H]+	768.5538	5.82
PE(38:6)	LFGBKOUQHCWBQI-BZGLIJSBSA-N	[M+H]+	764.5232	5
PE(p-34:1)/PE(o-34:2)	SMPXBIVJXNXOAL-PRWZWGSOSA-N	[M+H]+	702.5424	6.11
PE(p-36:1)/PE(o-36:2)		[M+H]+	730.5749	6.79
PE(p-36:2)/PE(o-36:3)	CFANDHZPOSNKNO-UDHSZFGOSA-N	[M+H]+	728.558	6.27
PE(p-36:4)/PE(o-36:5)	ADWDFBQPQIEGRZ-XBICFDGKSA-N	[M+H]+	724.5268	5.46
PE(p-38:4)/PE(o-38:5)	ZTZQZGHJLWFLFQ-VZBWJDOASA-N	[M+H]+	752.5591	6.13
PE(p-38:5)/PE(o-38:6)	IQSPCSIULMCRPM-ZAJUHDLGSA-N	[M+H]+	750.5433	5.52
PE(p-40:4)/PE(o-40:5)A		[M+H]+	780.5872	6.61
PE(p-40:5)/PE(o-40:6)	HHQFKPJXVYWLLJ-ABYSKWQHSA-N	[M+H]+	778.5757	6.15
SM (d37:1)	HAFQHLHNPJDAGB-MAJDXUCPSA-N?	[M+H]+	745.6182	5.81
SM (d38:0)	UGRZESKDAPEULH-ACEXITHZSA-N?	[M+H]+	761.6454	6.4
SM (d39:2)	SDUGEKJCGFHJRC-IYXZHQORSA-N?	[M+H]+	771.6311	5.94
SM (d42:0)	SMJLGESYPKPRNU-CRCOQUFZSA-N??	[M+H]+	817.7134	7.74
SM (d44:2)	YXEXWUZHFGYOHJ-UOJCCMJYSA-N?	[M+H]+	841.7113	7.46
SM(d30:1)	HZCLJRFPXMKWHR-FEBLJDHQSA-N	[M+H]+	647.5103	3.66
SM(d32:1)	KYICBZWZQPCUMO-PSALXKTOSA-N	[M+H]+	675.5423	4.2
SM(d32:2)	PEJGMBUENJSLLH-RHAKMSQVSA-N?	[M+H]+	673.5268	3.74
SM(d33:1)	LQINJRUGTUOHGS-YPDYIYJKSA-N	[M+H]+	689.5582	4.5
SM(d34:0)	QHZIGNLCLJPLCU-QPPIDDCLSA-N	[M+H]+	705.589	5.04
SM(d34:1)	RWKUXQNLWDTSLO-GWQJGLRPSA-N	[M+H]+	703.575	4.79
SM(d34:2)	YLWSJLLZUHSIEA-CKSUKHGVSA-N	[M+H]+	701.5582	4.29
SM(d36:0)	JCELSEVNSMXGKA-IOLBBIBUSA-N	[M+H]+	733.6195	5.72
SM(d36:1)	LKQLRGMMMAHREN-YJFXYUILSA-N	[M+H]+	731.6049	5.47
SM(d36:2)	NBEADXWAAWCCDG-QDDWGVBQSA-N	[M+H]+	729.5875	4.9
SM(d36:3)	YMTVMVYOUDDTQJ-UOMMIRHQSA-N	[M+H]+	727.5731	4.45
SM(d38:1)	AADLTHQNYQJHQV-SVLGDMRNSA-N	[M+H]+	759.6344	6.16
SM(d38:2)	MDRFMTLYKHBJTF-NQYLGBTJSA-N	[M+H]+	757.6196	5.59
SM(d39:1)	YXSZOBWVQJIWNE-LUJNSPTCSA-N	[M+H]+	773.6516	6.52
SM(d40:0)	FONAXCRWZQFJHY-JCGOJSMZSA-N	[M+H]+	789.6807	7.09
SM(d40:1)	FJJANLYCZUNFSE-QVMKKYBKSA-N	[M+H]+	787.6679	6.85
SM(d40:2) A	FOULCGVQZYQEQM-DNXGLLHMSA-N	[M+H]+	785.6522	6.16
SM(d40:2) B	VBFKEZGCUWHGSK-ADSSWVSQSA-N	[M+H]+	785.6512	6.26
SM(d41:1)	SXZWBNWTCVLZJN-NMIJJABPSA-N	[M+H]+	801.6833	7.19
SM(d41:2) A	JBDGKEXQKCCQFK-JWQIMADESA-N	[M+H]+	799.6669	6.49
SM(d41:2)B	JBDGKEXQKCCQFK-JWQIMADESA-N	[M+H]+	799.6677	6.61
SM(d42:1)	QEDPUVGSSDPBMD-XTAIVQBESA-N	[M+H]+	815.6992	7.52
SM(d42:2)	DACOGJMBYLZYDH-GXJPFUDISA-N	[M+H]+	813.6837	6.82
SM(d42:3)	TXFLWJQVQCDUDZ-BRUGZULGSA-N	[M+H]+	811.6663	6.25
SM(d43:1)	LXMARZYBSFYVSY-KUQVZNNZSA-N	[M+H]+	829.7128	7.73
SM(d43:2)	PBROMOQAZGFDHQ-GPQOMLTASA-N?	[M+H]+	827.6981	7.04
TG (53:5)	QHYAATSKYBYSLG-BXDFBOBBSA-N	[M+NH4]+	889.7271	10.03
TG(42:0)	DUXYWXYOBMKGIN-UHFFFAOYSA-N	[M+NH4]+	740.676	9.56
TG(42:1)	PMWOTNASJLOLJE-BNQAGZCGSA-N	[M+NH4]+	743.6141	9.06
TG(42:2)	IDWYMMYRNPSLDA-NNBKTNTFSA-N?	[M+NH4]+	741.6006	8.605
TG(44:0)	UXWDTZNNQVHGSG-UHFFFAOYSA-N	[M+NH4]+	773.6612	10.06
TG(44:1)	OUKDNADVOQVFAR-NBTXLFQMSA-N	[M+NH4]+	771.6469	9.59
TG(44:2)	LJXSUVSRRMQRRA-WHTYERKGSA-N	[M+NH4]+	785.6058	9.136666667
TG(46:0)	JWVXCFSNEOMSHH-UHFFFAOYSA-N	[M+NH4]+	796.7381	10.51
TG(46:1)	RSDIQTNCDWUNDP-VHXPQNKSSA-N	[M+NH4]+	815.6517	10.07666667
TG(46:2)	XUEMVUXNOCIHLG-MOFPORNTSA-N	[M+NH4]+	813.6373	9.65
TG(46:3) A	YCZHBUHPOJGNKX-YLZDBGKXSA-N	[M+NH4]+	811.6187	9.186666667
TG(46:3) B	YCZHBUHPOJGNKX-YLZDBGKXSA-N	[M+Na]+	795.6497	9.26
TG(46:4) A	QCZQFGBWINSNLX-ABMSJQPUSA-N	[M+NH4]+	788.6748	8.715
TG(48:0)	PVNIQBQSYATKKL-UHFFFAOYSA-N	[M+NH4]+	824.772	10.95
TG(48:1)	FEKLSEFRUGWUOS-DLOIZKPKSA-N	[M+NH4]+	827.7094	10.52333333
TG(48:2)	RUOVJPPUXXFZPC-YZEIBMOJSA-N	[M+NH4]+	825.6936	10.105
TG(48:3)	SKGWNZXOCSYJQL-BUTYCLJRSA-N	[M+NH4]+	839.6534	9.683333333
TG(48:4) A	GRAMQDDTGXQCSO-ZJPFCMILSA-N	[M+NH4]+	837.6361	9.25
TG(48:5)		[M+NH4]+	814.6867	8.82
TG(49:1)	VYYGQDOPVVYUKW-UKFBYESTSA-N	[M+NH4]+	857.7047	10.73666667
TG(49:2)	QZYSUBAQYSVFNX-PSMULLBHSA-N	[M+NH4]+	855.6843	10.34666667
TG(49:3)	DIGMYZZFQSIQBD-PNLKURBTSA-N	[M+NH4]+	832.7355	9.93
TG(50:1)	YHMDGPZOSGBQRH-YYSBDVFPSA-N	[M+NH4]+	871.7167	10.94333333
TG(50:2)	QEZWFCZNHWUARW-XQCAQTCHSA-N	[M+NH4]+	853.7262	10.54666667
TG(50:3) A	UFHNZOACKFBCOM-YXKNDSBASA-N	[M+NH4]+	851.7092	10.15666667
TG(50:4)	PVMBAGXWHHZKFP-JMPJWMFJSA-N	[M+NH4]+	865.6684	9.76
TG(50:5)	AFTBPUXZTDLRSP-UDQIKIEDSA-N	[M+NH4]+	847.6789	9.38
TG(51:1)	OZAXLAGNPZMZAD-BOEMPQCLSA-N	[M+NH4]+	864.8005	11.13
TG(51:2)	NSNSZGBCOIKUBU-SZOKBDNISA-N	[M+NH4]+	883.717	10.76
TG(51:3)	ISSGPXMQOMAFMJ-DMGKHJLRSA-N	[M+NH4]+	881.6977	10.38666667
TG(51:4)	IIRQXNVLAXQEKB-KBEZCZBDSA-N	[M+NH4]+	879.687	9.993333333
TG(52:1)	NPCZZYKITFKRQZ-RFBIWTDZSA-N	[M+NH4]+	899.7469	11.34
TG(52:2)	TXMWKTABZBAJCW-QLHBUVOUSA-N	[M+NH4]+	897.7323	10.95666667
TG(52:3)	DQXQIWIQYYEGLG-MMWLGPPDSA-N	[M+NH4]+	895.7152	10.59666667
TG(52:4)	WHSWXEYWNPTUPW-HNJDVRDNSA-N	[M+NH4]+	877.7256	10.22
TG(52:5)	CQZAAIKPSLHIBC-KDJOUNIJSA-N	[M+NH4]+	870.7531	9.86
TG(52:6)	SSOSFUDNINFYLJ-KIYGNKBKSA-N	[M+NH4]+	873.6952	9.583333333
TG(53:1)	WWJIBIGWKGFVAQ-JNSYTQKUSA-N	[M+NH4]+	892.8312	11.495
TG(53:2)	RSINITWKVQRWSZ-RFVLVDBCSA-N	[M+NH4]+	911.7452	11.14666667
TG(53:3)	ZNQBEJJYVJSZLM-LEDQTTRKSA-N	[M+NH4]+	893.7581	10.78666667
TG(53:4)	BMSDHYZLQWTKSQ-LSJAAEOESA-N	[M+NH4]+	891.7421	10.43666667
TG(54:1)	YFFIQXNTTVSKJC-NZEOUKRFSA-N	[M+NH4]+	927.7773	11.69666667
TG(54:2)	WUUWGORPQFKFQN-XDVOZUNOSA-N	[M+NH4]+	925.7622	11.34666667
TG(54:3)	PHYFQTYBJUILEZ-IUPFWZBJSA-N	[M+NH4]+	923.7479	10.99
TG(54:4)	BRLGHZXETDWABO-NOFIOOQLSA-N	[M+NH4]+	905.7593	10.65333333
TG(54:5) A	OEJXMJPFOHYSIU-GRLFFVHSSA-N	[M+NH4]+	919.7154	10.25333333
TG(54:5) B	OEJXMJPFOHYSIU-GRLFFVHSSA-N	[M+NH4]+	919.7133	10.475
TG(54:6) A	HBOQXIRUPVQLKX-BBWANDEASA-N	[M+NH4]+	896.7692	9.87
TG(54:6) C	HBOQXIRUPVQLKX-BBWANDEASA-N	[M+NH4]+	917.7009	10.08333333
TG(54:7) A		[M+NH4]+	899.7122	9.5
TG(54:7) B		[M+NH4]+	899.7131	9.675
TG(54:8)	BMPVTDWOWBNPJU-NYRSPQLFSA-N	[M+NH4]+	897.6954	9.095
TG(55:1)		[M+NH4]+	920.8653	11.82
TG(55:2)		[M+NH4]+	918.8483	11.49
TG(55:3)		[M+NH4]+	916.833	11.18
TG(56:1)	OCYFAHIHWCVZKS-FHSLLVMSSA-N	[M+NH4]+	934.8788	11.905
TG(56:2)	PDEQUPGHMOMBFC-FYEHETCMSA-N	[M+NH4]+	937.8287	11.69666667
TG(56:3)	QXMHHXQBBKDSSL-BAQZNRHJSA-N	[M+NH4]+	951.7745	11.355
TG(56:4)	YONCDTJKIZDSKQ-IYASBODOSA-N	[M+H]+	949.7536	11.03
TG(56:5) A	UHEJWASONFIROS-YPSHDQQVSA-N	[M+NH4]+	947.7379	10.655
TG(56:5) B	UHEJWASONFIROS-YPSHDQQVSA-N	[M+NH4]+	947.7451	10.76
TG(56:5) C	UHEJWASONFIROS-YPSHDQQVSA-N	[M+NH4]+	931.7751	10.88
TG(56:6)	ZTNDRFCABXFVMY-WJTCTALZSA-N	[M+NH4]+	945.7318	10.47
TG(56:7) A	DODZUDCYRVWEOJ-GKZBLMSTSA-N	[M+NH4]+	927.7416	10.09333333
TG(56:7) B	DODZUDCYRVWEOJ-GKZBLMSTSA-N	[M+NH4]+	927.7421	10.28
TG(56:8) A	UBGUHMDKBGQUND-VPFWBQFRSA-N	[M+NH4]+	941.7003	9.72
TG(56:8) B	UBGUHMDKBGQUND-VPFWBQFRSA-N	[M+NH4]+	941.6983	9.905
TG(56:9)	HTODETRMAVZETG-GOCHBVGNSA-N	[M+NH4]+	918.7579	9.36
TG(57:1)	QLQFCWUGYPUXFE-MKFPQRGTSA-N	[M+NH4]+	948.8982	11.97
TG(57:2)	OQPANTOJGGHRCB-OEIGHXOUSA-N	[M+NH4]+	946.8821	11.82
TG(58:0)		[M+NH4]+	964.9255	12.11
TG(58:1)	OWZMHFAFGQCCNI-FBXRAONGSA-N	[M+NH4]+	962.9108	12.02
TG(58:10)	GXWBCAVCOMAOHT-VMCJOIRWSA-N	[M+NH4]+	944.7695	9.56
TG(58:2)	NFQQJRGJJVQGAV-MEADVOAOSA-N?	[M+NH4]+	965.8561	11.90333333
TG(58:3)	RFMSTHTUAZETPD-JJPHLYBUSA-N	[M+NH4]+	979.811	11.71
TG(58:4)	CCKRHDUCFMOBKX-AAINFQTBSA-N	[M+NH4]+	956.8654	11.38
TG(58:5)		[M+NH4]+	954.8492	11.03
TG(58:6)	GSNFRUMSEHHPSY-LCXCSEBNSA-N	[M+NH4]+	957.7975	10.825
TG(58:8)	KWIGMCRWEINBIR-HUPVKWKYSA-N	[M+NH4]+	948.8005	10.28
TG(58:9)	RVXFSLZMZOFGEQ-SWIIBWKZSA-N	[M+NH4]+	946.7841	9.93
TG(59:2)	ONQVFVNCAXIZPA-OEIGHXOUSA-N	[M+NH4]+	974.9127	11.96
TG(59:3)	GFWCWSZOZVIVJH-ZIURWEIWSA-N	[M+NH4]+	972.8958	11.82
TG(60:1)		[M+NH4]+	990.942	12.1
TG(60:2)	QPNVLDQSHXVPMG-JMYPUKFOSA-N	[M+NH4]+	988.9258	12.015
TG(60:3)	IJOXAPFYWITIHW-KUBXGBLDSA-N	[M+NH4]+	986.9096	11.91
TG(60:4)	WECVQMVSEHWZQR-ULZSGHTGSA-N	[M+NH4]+	984.8959	11.7
TG(62:1)		[M+NH4]+	1018.9736	12.16
TG(62:2)		[M+NH4]+	1016.9568	12.1
TG(62:3)	QSEFCNRWIMUGOX-QFXJXGHKSA-N	[M+NH4]+	1014.9421	12.01
TG(62:4)	AHXIACCOHSVLRP-ULZSGHTGSA-N	[M+NH4]+	1012.9243	11.89
TG(64:2)		[M+NH4]+	1044.9877	12.16
TG(64:3)		[M+NH4]+	1042.9734	12.09
TG(64:4)	IABPCCHORNRSBT-ULZSGHTGSA-N	[M+NH4]+	1040.9563	12.01
METABOLITES_END
#END