#METABOLOMICS WORKBENCH michaelsa93_20151201_9979281_mwtab.txt DATATRACK_ID:443 efahy_20160119_151336 STUDY_ID:ST000331 ANALYSIS_ID:AN000529 PROJECT_ID:PR000265
VERSION             	1
CREATED_ON             	January 15, 2016, 12:53 pm
#PROJECT
PR:PROJECT_TITLE                 	Effects of Zinc on GI tract metabolites
PR:PROJECT_SUMMARY               	This experiment tested the affects of different diets on mice esophagus and
PR:PROJECT_SUMMARY               	prostate metabolites. The diets ranged from zinc sufficient to zinc deficient
PR:PROJECT_SUMMARY               	and a third group that included zinc deficient mice that were put back on zinc
PR:PROJECT_SUMMARY               	sufficient diets.
PR:INSTITUTE                     	University of California, Davis
PR:DEPARTMENT                    	Genome and Biomedical Sciences Facility
PR:LABORATORY                    	WCMC Metabolomics Core
PR:LAST_NAME                     	Fiehn
PR:FIRST_NAME                    	Oliver
PR:ADDRESS                       	1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis,
PR:ADDRESS                       	CA 95616
PR:EMAIL                         	ofiehn@ucdavis.edu
PR:PHONE                         	(530) 754-8258
PR:FUNDING_SOURCE                	U24DK097154
#STUDY
ST:STUDY_TITLE                   	Effects of Zinc on GI tract metabolites (Part 2: Prostate)
ST:STUDY_SUMMARY                 	This experiment tested the affects of different diets on mice prostate
ST:STUDY_SUMMARY                 	metabolites. The diets ranged from zinc sufficient to zinc deficient and a third
ST:STUDY_SUMMARY                 	group that included zinc deficient mice that were put back on zinc sufficient
ST:STUDY_SUMMARY                 	diets.
ST:INSTITUTE                     	University of California, Davis
ST:DEPARTMENT                    	Genome and Biomedical Sciences Facility
ST:LABORATORY                    	WCMC Metabolomics Core
ST:LAST_NAME                     	Fiehn
ST:FIRST_NAME                    	Oliver
ST:ADDRESS                       	1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis,
ST:ADDRESS                       	CA 95616
ST:EMAIL                         	ofiehn@ucdavis.edu
ST:PHONE                         	(530) 754-8258
ST:NUM_GROUPS                    	6
ST:TOTAL_SUBJECTS                	48
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	P49	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P50	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P51	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P52	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P53	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P54	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P55	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P56	Treatment:Zn-Deficient	
SUBJECT_SAMPLE_FACTORS           	-	P57	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P58	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P59	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P60	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P61	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P62	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P63	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P64	Treatment:Zn-replenished	
SUBJECT_SAMPLE_FACTORS           	-	P65	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P66	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P67	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P68	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P69	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P70	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P71	Treatment:Zn-sufficient	
SUBJECT_SAMPLE_FACTORS           	-	P72	Treatment:Zn-sufficient	
#COLLECTION
CO:COLLECTION_SUMMARY            	At sacrifice, the genital urinary tract of male rats, comprising the bladder,
CO:COLLECTION_SUMMARY            	urethra, seminal vesicles, and the prostate is excised, and microdissected under
CO:COLLECTION_SUMMARY            	a dissecting microscope. The lateral prostate was removed, snapfrozen in liquid
CO:COLLECTION_SUMMARY            	nitrogen, and stored at –80 °C.
CO:COLLECTION_PROTOCOL_FILENAME  	StudyDesign-LouiseFong-102314.pdf
CO:SAMPLE_TYPE                   	Tissue
#TREATMENT
TR:TREATMENT_SUMMARY             	Three dietary Zn modulated groups: Zn deficient, Zn replenished,and control Zn
TR:TREATMENT_SUMMARY             	sufficient Male weanling rats were fed a Zn deficient diet ad libitum (n = 16)
TR:TREATMENT_SUMMARY             	or pairfed a control Zn sufficient diet (n = 8). After 6 weeks Zn deficient rats
TR:TREATMENT_SUMMARY             	evidenced increased cell proliferation in the esophagus. Eight Zn deficient rats
TR:TREATMENT_SUMMARY             	were switched immediately to the Zn sufficient diet to form the Zn replenished
TR:TREATMENT_SUMMARY             	group. At 72 hours after replenishment, all animals (Zn deficient, Zn
TR:TREATMENT_SUMMARY             	replenished, and Zn sufficient;n = 8/group) were killed. Note: Zn sufficient is
TR:TREATMENT_SUMMARY             	the control group for each tissue (plasma, esophagus, or prostate)
TR:TREATMENT_PROTOCOL_FILENAME   	StudyDesign-LouiseFong-102314.pdf
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	1. Weigh 50 mg tissue sample in to a 25 ml conical polypropylene centrifuge
SP:SAMPLEPREP_SUMMARY            	tube. 2. Add 2.5mL extraction solvent to the tissue sample and homogenize for 45
SP:SAMPLEPREP_SUMMARY            	seconds ensuring that sample resembles a powder. In between samples, clean the
SP:SAMPLEPREP_SUMMARY            	homogenizer in solutions of methanol, acetone, water, and the extraction
SP:SAMPLEPREP_SUMMARY            	solvent. 3. Centrifuge the samples at 2500 rpm. for 5 minutes. Aliquot 2 X
SP:SAMPLEPREP_SUMMARY            	500µl supernatant, one for analysis and one for a backup sample. Store backup
SP:SAMPLEPREP_SUMMARY            	aliquot in the -20°C freezer. 4. Evaporate one 500µl aliquot of the sample in
SP:SAMPLEPREP_SUMMARY            	the Labconco Centrivap cold trap concentrator to complete dryness 5. The dried
SP:SAMPLEPREP_SUMMARY            	aliquot is then re-suspended with 500l 50% acetonitrile (degassed as given) 6.
SP:SAMPLEPREP_SUMMARY            	Centrifuge for 2 min at 14000 rcf using the centrifuge Eppendorf 5415. 7. Remove
SP:SAMPLEPREP_SUMMARY            	supernatant to a new Eppendorff tube. 8. Evaporate the supernatant to dryness in
SP:SAMPLEPREP_SUMMARY            	the the Labconco Centrivap cold trap concentrator. 9. Submit to derivatization.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	SOP Extraction of Mammalian Tissue Samples.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	UPLC
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Unspecified
CH:COLUMN_NAME                   	Waters Acquity CSH C18 (100 x 2.1mm, 1.7um)
CH:COLUMN_NAME                   	1.7um Pre-Column
CH:FLOW_GRADIENT                 	15% B to 99% B
CH:FLOW_RATE                     	0.6 mL/min
CH:COLUMN_TEMPERATURE            	65 C
CH:METHODS_FILENAME              	Data Dictionary Fiehn laboratory_CSH QTOF lipidomics_05-29-2014.pdf
CH:SOLVENT_A                     	60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid
CH:SOLVENT_B                     	9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid
CH:COLUMN_PRESSURE               	450-850 bar
CH:INTERNAL_STANDARD             	See data dictionary
CH:RETENTION_TIME                	See data dictionary
CH:SAMPLE_INJECTION              	1.67 uL
CH:ANALYTICAL_TIME               	13 min
CH:CAPILLARY_VOLTAGE             	3500
CH:TIME_PROGRAM                  	15 min
CH:WEAK_WASH_SOLVENT_NAME        	Isopropanol
CH:WEAK_WASH_VOLUME              	5 seconds
CH:STRONG_WASH_SOLVENT_NAME      	Isopropanol
CH:TARGET_SAMPLE_TEMPERATURE     	Autosampler temp 4 C
CH:RANDOMIZATION_ORDER           	Excel
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	WCMC Metabolomics Core
AN:DETECTOR_TYPE                 	TOF MCP
AN:SOFTWARE_VERSION              	MassHunter
AN:DATA_FORMAT                   	.d
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 6530 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:CAPILLARY_VOLTAGE             	3500
MS:COLLISION_GAS                 	Nitrogen
MS:DRY_GAS_FLOW                  	8 l/min
MS:DRY_GAS_TEMP                  	325
MS:FRAGMENT_VOLTAGE              	120
MS:FRAGMENTATION_METHOD          	Auto MS/MS
MS:ION_SOURCE_TEMPERATURE        	325
MS:ION_SPRAY_VOLTAGE             	1000
MS:IONIZATION                    	Pos
MS:PRECURSOR_TYPE                	Intact Molecule
MS:REAGENT_GAS                   	Nitrogen
MS:SOURCE_TEMPERATURE            	325 C
MS:DESOLVATION_GAS_FLOW          	11 l/min
MS:DESOLVATION_TEMPERATURE       	350 C
MS:NEBULIZER                     	35 psig
MS:OCTPOLE_VOLTAGE               	750
MS:RESOLUTION_SETTING            	Extended Dynamic Range
MS:SCAN_RANGE_MOVERZ             	60-1700 Da
MS:SCANNING_CYCLE                	2 Hz
MS:SCANNING_RANGE                	60-1700 Da
MS:SKIMMER_VOLTAGE               	65
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak height
MS_METABOLITE_DATA_START
Samples	P49	P50	P51	P52	P53	P54	P55	P56	P57	P58	P59	P60	P61	P62	P63	P64	P65	P66	P67	P68	P69	P70	P71	P72
Factors	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-Deficient	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-replenished	Treatment:Zn-sufficient	Treatment:Zn-sufficient	Treatment:Zn-sufficient	Treatment:Zn-sufficient	Treatment:Zn-sufficient	Treatment:Zn-sufficient	Treatment:Zn-sufficient	Treatment:Zn-sufficient
Acylcarnitine C16:0	22001	5627	33964	32173	17355	35341	24769	35766	19974	27563	39569	26742	43899	22717	16619	40169	19427	30359	14653	10855	16346	6147	20455	15984
Acylcarnitine C18:0	12931	3249	16702	15352	11404	14020	16014	20491	7992	11625	16067	10850	9707	14748	8924	12937	10237	16632	13292	8090	11962	6896	8897	10360
Acylcarnitine C18:1	6026	1662	9083	10876	4885	17737	8464	14609	12498	16794	23189	13421	29074	10551	8074	17984	7616	17932	6916	4562	6935	3365	9628	6440
Acylcarnitine C18:2	2567	707	3022	2372	1459	2329	1461	3359	2784	1804	3007	2149	2823	1889	1362	2795	2393	3982	1557	1119	1184	912	3613	1050
CE (20:4)	700	1709	924	1727	1200	1374	1174	405	5628	3990	7991	3250	4111	7978	4338	4056	67	2500	3407	626	3349	7536	3940	4895
Ceramide (d18:1/23:0)	6216	3617	7238	16547	6240	11129	6402	11814	11335	19290	8443	12941	17158	12854	7939	17720	5054	14276	13118	9008	14880	20965	10957	26044
Ceramide (d40:1)	33769	15532	29046	61861	32857	47908	22944	46217	40104	76220	43155	58785	69859	37487	35902	75687	23003	55473	45761	35202	61914	76481	53595	101217
Ceramide (d42:1)	84314	39893	71427	51832	63325	35762	23703	52787	39375	63432	41452	54715	59293	39130	45551	73173	69103	64549	52567	34414	54917	70871	105877	79825
Ceramide (d42:2)	36305	18522	46130	34201	32482	17912	17108	38559	16225	27388	24663	38105	29107	21203	32891	30421	46668	25005	24187	27244	21293	28910	37545	26737
Cholesterol	38231	40486	34220	33569	37008	39341	35457	35105	37351	33691	34637	31934	31682	36619	35372	30554	37026	34204	36504	36247	34598	33866	32798	33358
DG (32:1)	1197	118	3769	4448	2393	2683	3120	5183	2402	4083	4411	5953	7273	2284	4973	8764	11001	3726	867	5753	4168	3806	3270	3454
DG (34:1)	9471	6632	21318	35110	16443	28832	28312	42312	21396	28015	29500	48081	38334	25013	33161	48285	46027	39345	42910	42257	43880	42057	31956	44473
DG (34:2)	17736	10043	41453	66921	32719	42916	49757	81913	23053	23335	34889	60661	42136	25048	33836	59909	95229	57263	55570	77139	49905	38284	49067	45112
DG (34:3)	215	293	85	126	422	59	50	1446	458	454	580	882	853	375	104	919	2792	631	49	1125	460	67	539	58
DG (36:1)	1543	863	2206	1953	2063	1562	1654	2717	762	1478	129	2705	166	1393	3009	2660	4097	2129	2195	3124	1866	1909	3178	133
DG (36:2)	3479	3014	8426	12726	8842	9321	12191	17638	5153	7023	8572	16787	11092	7045	12460	12373	18500	10092	9991	15697	11993	9898	12276	10760
DG (36:3)	4547	3329	12688	11878	8568	7606	7970	30586	3605	4812	6315	14582	8650	5171	12103	9940	36969	9553	7049	23705	6610	6157	10435	7884
DG (36:4)	731	618	4390	2447	1973	1531	1758	7181	689	757	512	2389	1588	562	2451	748	9353	2300	702	5916	465	136	2081	1215
DG (38:3)	1323	788	2149	6034	2718	3598	3704	5037	2125	2939	3585	6486	4496	1701	4749	4794	2153	4322	4139	4539	4128	4141	5724	4217
DG (38:5)	4047	2578	6345	8772	5697	4447	5763	8292	3620	4531	6152	9415	8395	5899	8094	8380	7395	8082	7421	6345	6381	5740	8772	6409
DG (38:6) A	1705	1664	2536	2315	1990	1377	2050	2888	957	496	1677	1607	1678	1908	2862	1194	3308	1844	1895	2133	1147	1303	3672	1212
DG (38:6) B	1653	1630	2502	2294	1991	1367	2035	2840	1104	793	1775	1580	1699	1868	2897	1185	3235	1920	1857	2089	1305	1460	3545	1245
GlcCer (d40:1)	19318	10595	12290	5083	15139	3187	1047	7465	2377	4391	2992	3794	4884	3457	7120	4128	7478	6944	3306	3340	2050	6080	28339	5458
GlcCer (d42:1)	34964	16087	23639	3034	19095	1596	1917	10087	1054	1968	2104	3020	3394	2308	7868	1694	11054	7791	2341	1161	1760	3386	40929	2372
GlcCer (d42:2)	6047	1955	7376	2201	5432	1031	3635	3966	667	1169	1307	5724	1287	8761	1736	1596	3557	1681	1753	1306	7859	948	4187	8788
LPC (14:0)	834	429	598	1136	514	874	1161	872	952	1426	1127	1257	1950	757	917	1548	408	1056	741	1110	1057	1298	884	1446
LPC (16:0)	184247	89528	163486	184495	139446	129958	181553	178680	145509	204407	167563	160341	251121	122575	150802	194857	118550	206518	140565	143335	139630	173827	224884	177519
LPC (16:1)	620	478	938	1661	504	1271	1320	993	1595	2081	1830	1980	3448	1369	1493	2612	530	1625	1095	1275	1232	1198	995	1563
LPC (18:0)	108565	41270	82834	73938	125435	45575	66814	76908	54184	72058	65770	66442	97567	54757	74035	84283	95586	92870	50528	49146	43843	71465	101311	59243
LPC (18:2)	2320	2861	3957	4703	3383	3578	4228	4253	6134	5348	5026	4335	7944	6610	2971	5233	2900	3616	2989	4174	4126	3547	4298	3812
LPC (20:0)	13235	4634	3529	3742	7540	2217	2952	4266	1995	3110	2971	2442	4176	1837	3637	3381	1770	4375	1934	2027	2003	3127	9287	3140
LPC (20:1)	5184	2104	1942	1622	3670	916	1119	2212	1095	1642	1528	1553	2001	1006	2617	1842	930	2456	1126	1120	1064	1370	5383	1444
LPC (20:4)	9008	4600	9201	2712	6116	999	1883	3216	2356	2245	1921	2373	3123	3369	4718	2988	4955	3870	1972	2459	1616	2517	12181	1741
LPC (o-16:0)	1515	840	1635	1881	1553	1532	1457	2500	1265	1609	1941	1842	1939	301	1729	1902	1245	1316	1229	1416	1192	1676	1408	1284
LPC (p-16:0) or LPC (o-16:1)	3549	1797	3716	2937	2797	2338	2499	3743	479	347	860	1323	417	2199	1938	1842	2192	2455	2348	2233	2254	2854	3585	2498
LPC (p-18:0) or LPC (o-18:1)	1061	677	1167	1627	1127	1223	1244	1822	1122	1448	1522	1820	1635	1389	1779	1556	1291	1523	1469	1333	1035	1444	1316	1118
PC (16:0/9:0(CHO))	760	620	877	1732	977	2129	1198	1461	542	959	2785	2829	883	832	438	1618	223	2028	1881	871	1405	1776	1440	3071
PC (28:0)	3862	3083	2837	2561	2104	1744	2395	1920	1922	3023	2324	3357	4770	1868	2295	4545	1490	2416	1925	2309	2448	2274	3677	3301
PC (30:0)	454667	272978	403602	254881	317728	127178	170933	217507	139102	173995	188742	264650	262574	179774	268001	302062	244961	226603	165043	184796	160784	161458	430463	185432
PC (30:1)	3406	3089	6181	23693	3100	14952	15321	12105	23972	38226	29112	38321	85449	13834	19394	71411	2243	20108	11745	18524	23734	17417	12194	27539
PC (31:0)	78222	36549	95326	30626	47843	11798	15828	34733	13829	15514	19298	27768	22675	22877	39881	25664	67872	26810	18822	20510	13141	20396	62174	17639
PC (32:0)	2998410	1910386	3512094	1421313	2487710	662620	931443	1881651	754849	868749	1154682	1450775	1069256	1182545	1896412	1271210	2773154	1456394	1004500	1045573	787543	1058363	2791019	883530
PC (32:1)	433295	269316	713649	1868092	439547	1582301	1425234	1196760	1861933	2621274	2339226	2377339	3951267	1302713	1541167	3364160	399729	1738382	1359610	1540027	1994058	1700679	1088856	2095835
PC (32:2)	25135	25440	52966	242411	39012	174512	198837	141680	134402	185532	160254	244712	345499	99677	102776	324397	20079	190498	130479	163847	195906	137259	107946	219289
PC (32:3)	51499	28782	44174	26278	34695	11796	15498	22688	13745	15409	17462	24253	21252	17017	25067	26035	27094	21694	15896	17885	14946	16380	43626	17381
PC (33:0)	25764	12450	27381	11792	17235	5794	8684	13597	5644	7336	7940	11474	9262	7677	13945	11615	19391	13004	8466	8307	6794	9569	24949	9320
PC (33:1)	37355	22306	76311	270999	49328	196273	206018	181082	220556	307646	207091	287634	418412	183388	171057	425689	37496	276939	206128	222955	269887	280195	134658	403574
PC (33:2)	18832	14908	34203	98625	27691	62573	67506	66121	39197	38314	40407	56744	72703	36629	35260	87306	19483	71665	52421	61336	50949	39938	39572	64058
PC (34:0)	625171	322413	674402	271782	520091	144131	244905	397788	130040	176018	207056	285076	183288	184126	364933	282492	507314	374481	221916	203670	170121	234171	625088	210804
PC (34:1)	3717329	2524699	5525572	8941613	4869527	8490143	8980180	8321799	8403449	10302881	8913910	10137606	10670832	7983128	7903144	10470317	3864477	10297648	9505236	8384254	10378580	10422109	7712151	11173366
PC (34:2)	3887027	3639243	4894215	8063283	4987581	8053097	7874431	7370221	5781573	6272597	6619509	7273646	8003236	5333103	5282642	7880768	3807174	7867676	7373203	6785968	7546703	6199000	6195953	7237563
PC (34:3)	12871	15287	66844	287786	34677	208368	192107	175205	171455	218281	223421	262919	396997	119410	149223	370702	29085	229390	148492	166599	181668	111780	93862	186288
PC (34:4)	60838	27345	55548	53035	38181	15185	38678	33490	16687	20726	25239	37882	41064	24268	33226	56664	27906	53116	33906	31663	39485	32333	77407	47840
PC (35:1)	31619	14916	54619	133963	38642	107384	121608	102874	104682	185516	90086	174645	210010	113835	108913	205256	37445	202889	143609	114100	203610	234063	115961	338969
PC (35:2)	17140	13218	22353	51904	20110	42688	42933	40520	28912	44102	29923	48153	57109	29992	31722	55436	17928	54781	39849	38694	44871	45544	38078	70602
PC (35:3)	3161	3195	8627	31482	5984	22400	21654	19690	15907	21850	16380	27838	30992	14692	15005	30403	5172	24171	16214	19726	18883	16240	11700	27051
PC (35:4)	34240	16099	40017	19275	20838	5830	11543	18353	5597	4620	6581	10185	9756	9159	17376	12607	30939	17398	11208	12009	7993	9798	36777	11557
PC (36:1)	892090	431626	909940	870723	988538	692627	1039894	980532	705739	1379043	926321	1647017	1148632	814991	1071481	1526619	838275	1771360	1224804	775308	1517434	1584727	1375772	1900873
PC (36:2)	1040792	723276	1220344	1199352	1302570	979467	1167465	1232120	734394	1324049	937487	1382664	1191452	774975	1156947	1315437	1413853	1475336	1110755	899232	1163912	1100080	1404861	1435481
PC (36:3) A	1034714	657215	1028546	510997	806960	257597	462090	644287	209104	225747	324546	404167	341935	373697	609696	396281	961484	578807	454717	396063	356287	404885	1106347	378480
PC (36:3) B	44390	11082	27016	16772	25360	8242	11495	14441	9688	13063	17516	20732	23982	15490	29775	18678	17921	19677	14621	15113	12349	12786	25878	12168
PC (36:4) A	38788	74699	102532	281776	85181	232884	257679	256251	121073	151465	135345	272834	281986	118662	165358	193755	79511	244318	150174	135068	181141	139440	155290	202245
PC (36:4) B	6996578	4458916	6907408	3406144	5468821	1650248	2907937	4354619	1355506	1478434	2094014	2564872	2206883	2365315	4206367	2558255	6516064	3920085	2871026	2564381	2293617	2598506	7382599	2370807
PC (36:4) C	339940	291119	377304	414005	399084	457135	432381	419217	457102	385012	410458	383710	386809	452675	436330	366886	338832	373164	418815	440021	390390	388335	387228	354511
PC (36:5) B	35400	26340	87362	75364	29960	22117	43377	42876	23347	29219	41527	50018	59463	39934	60596	75412	56870	58534	42550	39233	38298	29841	50822	37543
PC (36:6)	1692	1050	2233	2045	1449	1108	2221	1596	843	930	1089	1495	1346	1084	1283	1541	1142	1600	1341	1246	1252	1291	1952	1518
PC (37:2)	5634	3634	6111	10237	6154	8951	9011	8345	7053	13998	5662	13922	14384	7913	12979	14051	4075	12855	9096	8222	10958	10787	12596	16542
PC (37:3)	6949	1188	4277	10235	4374	8793	8386	7068	5932	9199	5461	9982	10378	7600	7419	10093	11383	11545	8297	9146	9833	9205	7155	14663
PC (37:4)	104782	46855	95310	41438	61243	16711	32967	49921	14290	18177	20618	29306	25593	26746	55855	31314	121915	49271	30888	27468	24640	35052	122343	35315
PC (37:6)	948	688	1727	944	848	221	886	888	317	391	547	272	569	415	848	616	1093	662	569	444	434	469	1144	444
PC (38:2)	96038	50424	81364	100722	128814	72280	75427	96577	77915	190984	126756	185791	175633	70763	170941	169964	51318	168823	90846	85810	111698	118684	80577	68813
PC (38:3)	112097	67640	139189	79820	156671	29147	53308	80103	24810	36954	41147	65084	49479	40855	76879	53789	149068	83632	52454	38348	45765	49894	148079	52757
PC (38:4) A	2475996	1337108	2379558	837075	2087045	416076	684374	1083356	374344	363069	571407	687497	464130	655161	1452479	631005	3260432	832945	583665	576741	436947	642529	2172712	479023
PC (38:4) B	137324	40361	153194	162349	165386	125386	187344	181391	127740	249120	174527	288267	215794	140902	190393	272086	135310	306339	219302	141417	276115	283617	234289	322647
PC (38:5) A	486357	323552	698646	321550	503556	124190	226853	362428	149626	195345	255422	331924	235131	286162	488351	301871	748407	318513	278660	245296	168297	233663	518898	186697
PC (38:5) B	248421	93785	331857	145275	222768	94957	192073	190479	66392	80531	131461	122646	127292	108663	253069	139499	292615	208565	147742	110693	144083	175958	329955	170623
PC (38:6) A	366707	276066	595003	260090	354405	137384	291416	326667	78952	106097	132986	143562	137558	117088	335046	146402	391231	228545	184954	151660	144068	164039	468743	154059
PC (38:7)	1325	1332	3398	3154	1496	1470	2225	2372	1283	1806	2160	2500	2736	1565	2564	2703	1584	2182	1443	1631	1554	1220	1472	1657
PC (39:6)	1829	1050	2338	1729	1697	967	1400	1614	619	963	961	1367	1160	870	1599	1253	2072	1600	1169	1025	862	1064	2450	1220
PC (40:4)	175198	51781	32582	10789	77878	3910	6637	32218	3183	6426	6358	9168	10488	4776	36063	9195	11850	29615	6924	5339	6296	8787	262777	8894
PC (40:5) A	490816	233080	254130	57679	380009	29541	58173	163259	29340	32714	51299	66534	59128	51991	182639	60785	137043	135695	57246	49231	37094	54323	480885	41341
PC (40:5) B	50499	16328	71663	19944	50448	11360	19166	37234	9245	12576	20409	23077	15760	17529	51814	21759	71206	30292	17043	12551	15745	29697	70329	23514
PC (40:6) A	105463	46476	65287	34382	77218	9511	13619	41497	11982	13457	13027	24466	16079	15371	48584	24633	66441	36017	14443	16802	7794	14668	141774	12318
PC (40:6) B	73442	52851	102287	35281	72945	22193	42633	50812	16509	19369	23788	31380	20363	25499	81132	27011	84795	37002	29220	24111	22157	35047	81756	27887
PC (40:7)	6396	5387	79600	4877	6604	2942	4289	5310	3492	3827	4622	5085	4063	5577	6055	4191	47423	4996	4908	4594	3525	4540	52206	3800
PC (40:8)	23793	18600	40723	19191	24067	7788	14478	21412	10482	12666	17691	20640	20766	18482	30378	23979	41349	19223	13282	12518	9358	14493	31717	11140
PC (42:5)	19131	8142	15686	4916	13415	1783	3672	7619	1890	2336	3432	4649	3261	3355	8228	3763	12662	7004	3598	2979	2573	4387	19292	3243
PC (42:6)	8218	4156	11779	5545	6274	406	5872	2999	2650	445	4007	4774	2181	1328	4525	3412	11173	3751	1449	3977	3418	4728	9617	2185
PC (42:7)	4837	2959	6301	860	4144	2681	3869	2827	1658	1554	2572	3115	4342	1492	6916	3742	5446	2286	2254	2470	1497	2491	3398	1863
PC (o-32:0)	73166	40460	107363	64435	74492	19899	28617	53897	25191	32316	41965	48291	37615	33575	52393	44537	69885	45317	34661	32745	22004	35799	73423	28006
PC (o-34:0)	14845	7910	23853	11418	18066	5350	7603	10744	5011	7084	8141	9523	7031	6065	10033	8516	23041	9059	6936	7171	4712	8000	13001	6512
PC (p-32:0) or PC (o-32:1)	89556	41297	125497	199	64311	36	157	28171	107			4698		209	26	50	90921		39		46		50062	83
PC (p-34:0) or PC (o-34:1)	150363	88753	213660	158776	174978	108452	95786	169952	138134	258280	227468	251746	226293	117859	187599	233108	233147	172807	142372	124493	109079	162069	193975	141443
PC (p-34:1) or PC (o-34:2) A	26974	18424	31703	60477	33462	106175	50954	77520	97356	141141	146833	119084	143299	45800	54784	129684	33103	70904	69863	70514	63613	70284	46981	68471
PC (p-34:1) or PC (o-34:2) B	97724	52790	185139	375195	129573	376530	361919	342863	235874	429419	323318	503487	505459	366320	235826	619443	100102	495787	398538	358169	504857	691323	440989	689301
PC (p-34:2) or PC (o-34:3)	98808	67618	157918	333051	145957	392439	306479	314579	154363	187563	240885	299395	285198	218406	130090	429982	79605	350308	289835	314667	331507	322685	251681	373314
PC (p-36:1) or PC (o-36:2)	8764	5576	14376	26939	14401	34527	29353	34365	40611	81489	56923	87070	61721	32986	43877	65267	13515	50958	42553	35798	41791	56348	32439	66931
PC (p-36:2) or PC (o-36:3)	6272	6144	10953	26193	14426	37719	29718	32412	31472	41843	43620	53071	41434	23315	25442	43834	11154	35334	33541	33274	26851	28348	20425	35392
PC (p-36:3) or PC (o-36:4)	163871	83715	287718	177967	164196	79810	107794	161548	71405	95154	119962	143266	121591	105172	143710	146785	256759	144383	120191	104656	80722	118182	206627	103274
PC (p-36:4) or PC (o-36:5)	1003179	466598	1083325	413488	627722	211960	334525	557269	86658	104521	134362	198702	174041	274634	310816	250688	807874	420015	303607	248785	245783	294106	962507	274176
PC (p-38:2) or PC (o-38:3)	195	239	698	3510	638	3466	3816	2370	2023	4376	2568	6850	4374	3838	2612	6616	1083	4247	2011	4415	6437	7743	3907	10998
PC (p-38:3) or PC (o-38:4)	27390	14415	60551	38503	34138	23373	31039	34842	17287	25199	22387	29948	24447	21308	25801	32261	91919	31766	25974	25720	24245	39642	38966	39439
PC (p-38:4) or PC (o-38:5) A	144594	79005	236470	202685	177394	83342	126059	160972	73741	95290	112716	149260	113183	118221	148100	145528	272217	167531	155159	123008	88156	117522	210102	116145
PC (p-38:4) or PC (o-38:5) B	1480	851	2798	14653	3012	6541	5058	7667	7305	14538	12036	12920	10460	13725	5440	8158	2824	7437	4764	6362	6009	8940	5044	9156
PC (p-38:5) or PC (o-38:6)	172551	88757	177882	85478	104390	35302	54024	95130	12570	14846	16345	33099	29722	12787	47357	17025	140353	72660	52223	40529	45253	41948	164214	57235
PC (p-40:1) or PC (o-40:2)	147	153	313	1834	415	831	348	854	844	1258	610	839	1128	1208	438	1037	1725	996	981	618	1143	1180	144	1429
PC (p-40:3) or PC (o-40:4)	646	1523	1356	7837	1384	4120	1897	3073	1795	2398	1995	2628	4806	4977	2028	5612	1781	3635	2935	3319	2505	3547	2028	3484
PC (p-40:4) or PC (o-40:5)	3746	1085	3874	3587	3841	1828	2895	5601	1731	3666	2669	6401	6992	1665	3019	3407	4578	3432	2427	2065	2727	5086	2354	2510
PC (p-40:5) or PC (o-40:6)	10582	4597	10660	7933	7463	3244	4594	6718	1757	2098	1165	3818	3590	4744	3603	3810	3623	6473	5014	4050	4559	5462	12182	6565
PC (p-40:6) or PC (o-40:7) A	9788	5217	6840	6163	6242	2349	3971	5796	1257	1799	2040	2628	1932	2660	3422	2842	5001	576	2021	2852	824	4005	10500	1840
PC (p-40:6) or PC (o-40:7) B	3406	2198	4789	4377	4656	2580	2736	4104	2439	2760	3828	4132	2633	2949	4264	3181	4984	2943	3977	2896	3897	4671	3512	4077
PC (p-42:4) or PC (o-42:5)	271	143	332	359	403	249	9878	334	171	1165	191	521	851	955	368	388	1286	365	294	662	229	1017	500	1289
PC (p-42:5) or PC (o-42:6)	1125	435	1152	1708	1715	1314	1084	1392	1058	1594	1533	1809	1894	1125	1478	1590	1622	2373	1080	1134	1275	1965	2012	2053
PE (34:2)	28892	22692	58720	197929	45670	175567	165548	142693	112288	137660	153401	182222	267860	71946	83615	228129	27410	156631	139101	141449	150165	88910	88929	142045
PE (34:3)	229	107	181	8319	143	7781	7542	5234	7526	9241	8437	8605	24365	3507	5288	15030	1076	6034	4372	5591	5297	2353	183	5310
PE (36:1)	38363	16489	41378	32741	40071	19402	23726	31891	20525	38550	33020	49811	43643	22658	39861	50526	56522	42712	29633	25804	29109	29814	49758	38309
PE (38:4)	627478	323516	607485	398037	533846	183789	293154	370486	183690	279068	301804	376513	325506	266183	507345	444471	540530	451465	307569	256629	249106	271320	726545	280561
PE (38:6)	34867	33213	58401	51695	35133	31200	51169	45538	22589	29724	27558	30008	37516	24145	36649	34930	30824	33638	31030	28616	29365	26837	52913	29259
PE (38:7)	402	582	5632	12515	575	8252	16119	8422	5729	5925	7096	5949	10298	4945	4923	10642	351	8237	5875	8487	6792	6344	5446	6404
PE (40:7)	2817	1129	2997	2029	2929	9667	15835	1918	6943	9685	10102	1790	1616	1118	26120	1739	2153	1751	1091	9310	8888	7467	2728	8351
PE (p-36:2) or PE (o-36:3)	39674	14879	40965	94907	48410	112333	88371	100175	127279	239689	185556	244820	207197	114984	107656	200726	37531	176783	122180	117867	188556	216987	112083	254952
PE (p-36:4) or PE (o-36:5)	832353	425367	941910	912805	715046	577692	815895	887775	499131	559920	569453	684615	875113	648478	672510	926742	655503	986443	827809	701438	813958	759309	1098547	758036
PE (p-38:4) or PE (o-38:5)	646459	319374	899680	618682	663754	418578	633842	602046	361368	475725	453148	530405	514765	468525	475555	600893	901902	728891	553573	501735	610053	753687	778490	725922
PE (p-38:5) or PE (o-38:6)	371978	229961	403702	483446	364583	332758	430954	448800	236012	298564	271763	402493	417769	366050	345285	440079	307832	499441	431425	364856	444907	367358	488636	461229
PE (p-40:5) or PE (o-40:6)	25877	13059	34928	41415	27135	25297	33191	32162	19985	25367	20694	38842	34454	28365	31938	39488	20296	47440	37249	31493	38020	31092	40389	47445
SM (d32:1)	9375	3550	6417	2822	6190	877	1467	3606	1219	1671	2089	3083	2184	2240	4598	2382	5166	3117	1232	1373	1072	1773	10256	1493
SM (d33:1)	11180	3953	9331	4303	6038	1503	2277	4656	1386	2006	2518	3592	2775	2366	4737	3220	7364	3836	2008	2034	1413	2369	10684	2118
SM (d34:0)	33483	17800	33660	28656	29736	20169	26034	31361	20232	27695	38173	35087	34997	27841	37720	36573	21212	32913	22880	28486	26637	23116	32018	29881
SM (d34:1)	2147898	910353	2628419	1093834	1886607	453374	739854	1184369	417333	548013	754756	980339	779627	718950	1233771	975563	1958889	1050568	601402	638458	533181	649385	1898372	613966
SM (d34:2)	43433	16323	49589	13731	36106	5632	9809	18520	6227	8403	12175	16159	9279	12682	21822	14742	44940	15685	8589	9758	7768	12014	55392	8226
SM (d36:0)	12447	6142	14760	10167	14113	6664	11029	12700	6228	8304	12062	12195	9933	7272	11722	9974	10368	9894	6487	9431	7645	8451	12450	7340
SM (d36:1)	741799	425479	1018366	571356	935946	251155	466169	498830	215299	286473	352703	459261	355040	324551	526784	438126	772002	456177	331107	330368	270478	360557	631477	289093
SM (d36:2)	100829	48411	173286	66319	152799	25212	52137	73867	23344	30064	42491	63545	31907	45783	74315	51929	162972	60376	39541	37641	30194	45630	107165	31577
SM (d37:1)	12508	5346	14082	7496	12069	1805	4279	5662	1061	1170	1986	3284	1466	3516	4818	4123	5517	4427	4592	3327	2867	4106	8843	2966
SM (d38:0)	4065	2228	10191	17928	13843	23203	59001	30460	24017	16792	44380	49600	36143	15582	26580	27067	7558	31331	18480	34834	31019	15936	18675	9051
SM (d38:1)	419832	187907	496135	412717	517472	182227	302925	308225	159153	233884	234421	330457	261743	220159	329605	307008	361817	305966	224285	208833	221888	266887	413792	197760
SM (d38:2)	13281	7159	20032	8250	23205	3630	6611	8375	3273	3818	5296	7132	4169	5747	8299	6603	17091	6231	5125	4211	4125	5496	13815	3674
SM (d39:1)	11578	5429	13330	21161	15282	10217	14638	14580	10845	16239	11284	18906	16551	12971	13281	20664	7897	17038	13462	14199	16873	22194	18806	23820
SM (d40:0)	4022	2575	40271	81994	44505	80346	211445	136561	107509	65143	201804	207396	174009	56767	110901	98910	23708	137973	89592	155835	124075	76512	51742	39952
SM (d40:1)	445208	191846	440548	424994	510836	182021	210175	305339	220192	371240	244659	315494	319724	254262	288927	377939	301789	361391	260908	218735	353435	457156	504137	428640
SM (d40:2) A	33983	13572	42196	35657	33771	18757	21275	25344	14931	30911	29284	36508	43911	21125	26086	46688	19012	32034	21963	22328	22563	23895	36012	28761
SM (d40:2) B	33328	16338	32087	19369	36353	8049	12523	19582	8966	12077	13199	16704	11600	11077	20748	16787	26437	17538	11297	12029	10663	15943	46641	13468
SM (d41:1)	40884	23249	53016	62021	48568	25121	33796	44990	33819	45983	32503	39959	42948	38685	32600	53413	26290	44950	36690	32955	40166	53341	47646	50383
SM (d41:2)	3805	1915	4732	3911	3786	1946	2823	3435	1893	3001	2614	4255	3031	2659	3449	4305	3242	3469	2717	2945	2724	4015	4798	3083
SM (d42:0)	6497	3503	48950	54203	40564	41297	172324	88634	85070	48289	222315	168392	116958	53490	91999	104833	31793	117454	76085	123006	69051	42977	45154	18137
SM (d42:1)	596035	271967	588154	276793	534681	105716	162369	294965	140262	192624	188915	206649	203760	175724	250868	251177	529274	272100	172763	163045	163588	231359	581808	173233
SM (d42:2)	503221	224698	652316	383019	511944	146762	219077	352091	163229	244454	271078	341813	278903	235767	363481	372374	514290	340328	231352	233673	200263	284539	489418	274423
SM (d42:3)	186834	76365	207953	138707	177633	16224	33260	132480	48094	8566	72133	50086	3650	76442	136615	110766	173079	1877	2857	71473	89	15003	181762	437
SM (d43:1)	7338	3599	6960	7261	5935	3305	275	5119	3772	5714	4061	4030	5236	5065	3500	6165	4283	4171	4323	3764	4886	6374	6894	4934
SM (d43:2)	2626	1244	3064	3217	3579	2141	1534	3405	1674	1817	2609	2995	3111	2040	2460	3210	2466	2776	2354	2004	1810	2012	1962	1947
SM (d44:2)	8174	3495	8672	3709	6968	1651	2787	4980	1574	2035	3053	3189	3637	2232	3557	3481	6053	3442	2082	2541	1808	2545	5420	2277
TG (14:0/14:0/14:0)	1459	1215	5181	1303	4096	1238	1422	2490	462	936	1485	314	1491	1535	879	648	8976	992	841	4286	527	536	382	763
TG (40:1)	1480	510	7647	313	3621	278	847	3402	315	289	214	566	248	147	476	526	17831	395	181	10568	111	358	195	418
TG (42:1)	2162	683	11592	1059	7556	686	805	5409	341	698	429	1647	747	732	2499	1670	23791	1727	281	11302	437	940	884	895
TG (42:2)	1846	193	10355	434	5656	296	125	4996	122	144	186	1453	148	146	988	599	23864	784	227	13128	256	373	426	206
TG (44:1)	3763	890	20835	1067	14756	506	888	10264	362	705	297	2490	814	528	2507	2748	49708	2152	463	20054	434	674	893	740
TG (44:2)	2119	248	13831	592	9605	432	479	8944	204	352	121	1687	532	119	2045	770	34667	791	112	16983	188	581	383	400
TG (46:0)	26138	3842	165995	7000	86683	4795	4649	80774	3671	5859	3878	14468	10755	3850	12095	21871	177773	13508	4175	149623	7218	6085	7316	7309
TG (46:1)	22855	4113	141921	6104	71551	1187	3387	68122	2408	5123	2807	15196	7678	3144	15046	21857	356007	14606	2296	147875	2156	3294	4852	3846
TG (46:2)	14692	1905	51503	3088	29553	1051	2177	31884	750	1520	1034	5744	1823	1020	5815	6694	139929	6296	131	61641	318	1287	1701	1184
TG (46:3)	3007	454	8902	719	5876	210	441	6146	111	267	133	1245	407	216	1373	1161	26466	1428	226	11419	127	383	328	264
TG (48:0)	184160	31790	572710	85501	366843	62637	46300	379824	35154	57987	43470	124133	90217	37313	110545	176906	497807	113693	49890	515197	81163	54810	69362	68758
TG (48:1)	198791	30688	1103313	55305	644212	19555	27389	625310	19932	41545	24660	121769	58690	23498	130719	162772	1828922	122885	18119	1095245	18791	24694	38250	28832
TG (48:2)	159471	15869	629102	32643	328539	7865	17866	433395	6779	17412	9263	60975	21244	8690	67822	83085	1477421	75865	7892	778639	5172	12922	17124	12646
TG (48:3)	26750	3023	90157	4793	46348	1142	2482	64730	897	2513	1321	9554	3094	1374	11221	11303	328124	14912	1429	126379	363	2265	2530	1520
TG (49:0)	2683	924	7766	2188	2367	2120	1688	5168	1597	2093	1474	2467	2690	1523	1745	3196	8796	2544	2146	7975	2759	2563	2390	3509
TG (49:1)	7097	1179	24810	2934	9445	1755	1784	16322	868	2058	1441	3916	3291	1482	3548	4159	63985	4399	1420	25601	1649	1878	2125	2342
TG (49:2)	10727	1261	26718	2567	4611	997	883	20166	875	1234	631	3821	2150	1112	3590	3580	78164	4705	949	32355	157	1371	1637	1495
TG (49:3)	3678	311	6976	120	2580	256	288	5334	112	200	150	999	268	86	1025	867	19899	1443	77	8503	123	428	264	120
TG (50:0)	117291	9493	601238	54256	477111	17798	15048	411653	13819	18651	39621	89690	63706	11759	69600	113591	488445	78418	16737	575286	78381	18968	62852	81808
TG (50:1)	850834	116856	2885994	318198	2078307	137377	168782	2070017	91606	221093	147696	563415	276329	117396	593257	603405	3963854	540258	107682	2822246	120454	129862	212763	164332
TG (50:2)	1151285	119554	2893910	328734	2023205	71453	152041	2343098	55083	131560	85010	479866	165178	67125	583079	549382	5050726	592059	66763	3340520	43938	100821	153043	93426
TG (50:3)	472574	37572	1473699	74252	755289	12941	33601	1256121	13128	37106	19304	153917	47716	17431	192570	180287	4183342	258713	19968	2144899	5805	32989	39071	21903
TG (50:4)	78351	5519	196036	12242	87355	1945	6691	193947	1712	4388	2405	20578	6498	2313	23925	20346	736648	34774	2942	344351	437	4954	5447	3047
TG (50:5)	4244	326	7619	689	3731	149	273	7330	129	230	240	749	526	194	1259	649	22460	1818	293	12301	91	301	411	182
TG (51:1)	945	858	21312	593	1282	441	402	14155	225	613	178	997	3337	1646	1156	1340	50619	740	208	25286	2352	2412	3009	3529
TG (51:2)	19429	2163	59642	3118	24991	1385	3215	47246	2048	3069	2283	7600	2318	2071	4024	4057	191172	4632	1089	80597	1859	2968	1651	3597
TG (51:3)	19528	1657	43662	3749	16451	958	1994	42259	934	1625	1326	5747	2576	697	6090	4530	160653	8686	1205	66224	714	1792	2167	1648
TG (51:4)	7790	592	11701	1116	4068	247	760	11872	228	451	393	1524	770	408	1603	1156	38673	2385	391	16694	137	595	602	421
TG (52:0)	47345	12101	284941	44160	260868	62631	42845	181465	44714	56616	39417	79099	74607	30237	41633	106775	202863	83750	70077	352974	134769	86346	79274	131811
TG (52:1)	366625	39979	2363424	158421	2025703	100778	116071	1646046	65032	141690	90336	285390	162148	62235	268203	288781	3098605	243952	82189	2511772	129677	98808	139802	167060
TG (52:2)	1542165	142064	4104479	441569	3631437	134786	259720	3723967	99096	280443	181652	758017	307078	132908	974288	746985	6693339	896800	122070	4970327	95446	172160	278116	210882
TG (52:3)	2525498	177510	4602549	550994	3597821	95091	315064	4716697	74047	200761	134576	790818	276383	109449	1077764	736959	8089893	1222957	112753	5905476	43610	182058	259517	145703
TG (52:4)	1517514	69356	2679773	217105	1437204	26441	122191	2964070	25758	58824	41898	289308	102610	41956	386847	252509	6282905	527652	42001	4113275	14358	72611	91330	46540
TG (52:5)	132644	7705	279566	18368	104656	2162	8272	345518	2495	6847	3236	33543	12688	3030	40781	28626	1483645	70851	5927	598082	942	8999	8478	5150
TG (52:6)	5615	288	6855	863	2789	118	325	9758	178	128	494	1437	597	336	777	840	26905	2999	233	15036	75	580	536	208
TG (53:1)	5581	1229	21509	4069	12522	4125	3283	12599	3346	5282	2924	7242	6243	3206	4455	6612	25813	7057	4042	20112	5942	5672	5204	8692
TG (53:2)	11939	1008	43140	2727	24026	1454	2142	34082	1567	2211	1347	3827	2768	1394	3926	3776	94812	3985	1477	55763	1614	1950	2047	3788
TG (53:3)	16026	1577	46032	4371	19669	1802	2627	44438	801	2681	1902	5660	3231	1013	5783	4235	152116	7980	1833	73748	2324	1438	3390	3447
TG (53:4)	14996	1090	28273	2616	11932	698	1685	32113	772	1289	1039	3978	1963	994	3853	2987	105068	6282	882	52762	578	1370	1843	1381
TG (53:5)	5126	340	7846	837	2928	333	423	8657	251	469	366	1491	671	381	1267	1100	27257	1818	448	11883	52	432	513	410
TG (54:1)	78378	16432	597592	63074	595435	64539	55567	414864	45564	83433	54951	139100	102965	38714	80897	116774	643963	126316	69127	700607	117405	89165	104612	152024
TG (54:2)	311557	28721	1680666	115265	1684477	63470	89947	1465418	42977	105232	65517	235452	124572	43339	211069	189018	2460095	211130	51006	2121996	73071	71187	114698	127011
TG (54:3)	1031405	67157	2619591	247801	2540781	73306	167157	2906812	48613	126047	89586	403094	152619	58094	530060	349781	4345703	584874	64417	3808617	48511	94309	168590	127204
TG (54:4)	1636825	85420	3055016	290202	2557595	49887	181459	3657879	32468	86862	62781	418046	141903	42145	619898	347119	5673944	783719	62079	4773829	21537	97257	154030	86319
TG (54:5) A	1422680	51215	2464264	171905	1323470	20664	103030	3172405	18987	41477	32098	219809	94403	25166	330292	167746	5478024	465436	38247	4167928	13063	58847	83216	41553
TG (54:5) B	55500	10914	106096	17811	50288	5657	13569	45669	7956	11957	19856	39571	20114	13965	30175	25810	158316	58109	6474	137077	7015	17644	37843	10517
TG (54:6) A	382324	13662	581272	45807	181503	5184	28286	805877	5430	11382	7136	49663	27065	8459	63488	35300	2181380	104541	11171	1194959	6208	16831	21182	12067
TG (54:6) B	79973	9349	76360	12017	38106	2716	13076	55292	3897	6915	9790	31735	10595	10335	22415	19462	122705	53824	3989	132381	3283	13587	28062	4359
TG (54:7) A	9839	486	15959	2028	4454	369	1126	21439	611	420	1104	3012	1353	775	2649	1679	63241	2812	741	34989	623	673	1101	645
TG (54:7) B	6972	865	11686	1873	4603	452	1343	22423	768	792	1552	3238	1733	1069	2694	2196	63241	5934	765	35047	472	1295	1385	473
TG (55:1)	2668	999	11603	3925	7822	5334	2634	8346	3720	5841	2643	5678	6849	3219	3924	6388	9764	7974	6002	11822	8981	8763	6032	14118
TG (55:2)	5538	500	18728	1817	12823	1483	2142	14100	1959	2266	1246	5698	4376	1261	3643	4537	24675	3398	1299	20310	3396	2050	2417	3634
TG (55:3)	3711	384	22511	1864	6768	1287	1072	18860	680	2733	581	727	1358	257	1242	2034	45530	2639	730	30845	1647	1082	2937	2477
TG (56:1)	43277	19716	61419	27139	60714	34060	24756	60551	26025	49150	33670	75066	52563	26972	45921	69629	67059	89695	49753	88667	87635	68206	102151	103397
TG (56:2)	33065	14182	96938	25833	78735	22888	17751	85667	17748	39705	25458	74776	41772	17652	35774	43608	140060	68244	27757	137391	46184	42580	71809	73607
TG (56:3)	46355	10119	135542	26617	108073	15630	15971	137312	12263	34759	21896	74816	34619	13504	36878	38636	193287	61201	15270	186953	23190	23934	47753	43147
TG (56:4)	56324	8711	94510	21868	71639	8693	11165	108707	6926	19363	14449	49896	19143	7851	29107	24372	132558	41463	6889	135792	8607	11833	33593	18592
TG (56:5)	17284	5897	29529	11664	19495	5522	6609	25809	4747	8274	13214	23863	12414	8278	15193	10442	56231	28710	6599	43361	5926	9282	17266	10114
TG (56:6)	40939	5292	49284	11840	31955	4158	6161	42364	5461	8064	11846	20372	7062	8804	25780	12116	64154	34660	4798	87186	4597	7395	28203	5259
TG (56:7)	48312	2635	49734	9004	17348	2040	6940	36611	3360	5688	6869	22665	8993	5627	14914	11281	63238	34584	3535	98204	2005	8171	4692	3067
TG (56:8)	11760	3815	3097	2430	3234	916	2152	2222	1183	1502	2521	4777	2114	2002	6866	1919	7281	7423	773	250	794	2107	16392	938
TG (58:1)	28399	15291	33654	8157	25244	9964	7669	27306	7712	13441	10369	26460	16649	8533	18295	22970	41258	30616	14757	35568	22405	19748	53150	30012
TG (58:2)	39130	21859	65623	17871	45917	17364	14009	57653	13819	29083	21004	64824	34490	15871	33860	40526	85609	61392	23353	75678	36063	35766	80361	60131
TG (58:3)	12320	7496	26327	7677	19241	5631	4998	26594	4806	11231	7604	25675	11598	5232	13131	13475	37021	22816	6597	37220	9835	10065	23047	18637
TG (58:4)	10232	3875	12296	3682	12735	1166	1964	13903	1788	4134	3336	15907	3742	2259	7410	6098	23113	12326	1644	18703	2571	3835	18069	6653
TG (58:6)	9737	4509	4547	6138	5973	1087	3819	6806	2679	5524	6474	13136	6053	5691	16260	5480	23171	17756	3934	7465	4621	5685	29106	5773
TG (58:8)	17827	4679	8780	3784	9208	1226	2771	11480	2018	2103	3415	7957	3666	3852	16254	3270	20611	14190	1480	7886	1601	3917	33029	2169
TG (58:9)	5144	1408	3195	1587	2605	682	1544	3357	1290	1736	2790	4122	1905	1906	5779	1632	5659	4233	1049	4535	855	1696	7914	699
TG (60:2)	20401	11201	41162	5503	24673	4410	4461	30827	3754	6342	5464	17049	7805	4546	12506	3012	53116	20106	6837	45185	9039	9920	35457	14510
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Identifier	Batch m/z	Batch RT	Adducts	InChi key	Comments
Acylcarnitine C16:0	1.58_400.34	400.342	1.7	[M+H]+	XOMRRQXKHMYMOC-OAQYLSRUSA-N	palmitoylcarnitine
Acylcarnitine C18:0	2.33_428.37	428.3727	2.46	[M+H]+	FNPHNLNTJNMAEE-UHFFFAOYSA-N	stearoylcarnitine
Acylcarnitine C18:1	1.73_426.36	426.3578	1.85	[M+H]+	HITOYGLMAFIRNI-YSESTWPTSA-N	oleylcarnitine
Acylcarnitine C18:2	1.33_424.34	424.3425	1.45	[M+H]+	MJLXQSQYKZWZCB-DQFWFXSYSA-N	linoleylcarnitine
CE (20:4)	10.13_695.57 +10.13_690.62	695.5738 _690.6184	10.217	[M+Na]+ _[M+NH4]+	IMXSFYNMSOULQS-BEDFLICRSA-N
Ceramide (d18:1/23:0)	7.94_636.63 _7.94_618.62 _7.94_658.61	636.6289 _618.6184 _658.6109	8.129	[M+H]+ _[M+H-H2O]+ _[M+Na]+	NAJHAHQNQCNWOP-PUYNVXOJSA-N
Ceramide (d40:1)	7.62_622.61 _7.62_604.60 _7.62_644.59	622.6133604.6027644.5952	7.813	[M+H]+ _[M+H-H2O]+ _[M+Na]+	KEPQASGDXIEOIL-GLQCRSEXSA-N
Ceramide (d42:1)	8.26_650.65 _8.26_632.63 _8.26_672.63	650.644 _6632.634 _672.6265	8.435	[M+H]+ _[M+H-H2O]+ _[M+Na]+	ZJVVOYPTFQEGPH-AUTSUKAISA-N
Ceramide (d42:2)	7.59_648.63 _7.59_630.62 _7.59_670.61	648.6289 _630.6184 _670.6109	7.781	[M+H]+ _[M+H-H2O]+ _[M+Na]+	VJSBNBBOSZJDKB-KPEYJIHVSA-N
Cholesterol	4.87_369.35	369.3516	4.977	[M-H2O+H]+	HVYWMOMLDIMFJA-DPAQBDIFSA-N
DG (32:1)	6.23_589.48 _6.23_584.52	589.4812 _584.5246	6.224	[M+Na]+ _[M+NH4]+	XEQQGHISHUGMIP-ASUORMEESA-N
DG (34:1)	6.85_617.51 _6.85_612.56	617.5116 _612.5562	7.058	[M+Na]+ _[M+NH4]+	YEJYLHKQOBOSCP-OZKTZCCCSA-N	noMSMS
DG (34:2)	6.36_615.50 _6.36_610.54	615.4965 _610.5411	6.355	[M+Na]+ _[M+NH4]+	SVXWJFFKLMLOHO-YAIZGCQRSA-N
DG (34:3)	5.78_608.52	608.5246	5.766	[M+NH4]+	BHGPPCIWDXQOMA-IXDOJJAKSA-N
DG (36:1)	7.56_640.59	640.588	7.55	[M+NH4]+	SAEPUUXWQQNLGN-LVVMQYBKSA-N
DG (36:2)	6.93_643.53 _6.93_638.57	643.5272 _638.5718	7.116	[M+Na]+ _[M+NH4]+	AFSHUZFNMVJNKX-LLWMBOQKSA-N	noMSMS
DG (36:3)	6.40_641.51 _6.40_636.56	641.5115 _636.5562	6.586	[M+Na]+ _[M+NH4]+	BLZVZPYMHLXLHG-JOBMVARSSA-N	noMSMS
DG (36:4)	5.91_639.50 _5.91_634.54	639.496 _634.5404	5.895	[M+Na]+ _[M+NH4]+	MQGBAQLIFKSMEM-ZHARMHCNSA-N
DG (38:3)	7.06_669.57 _7.06_664.59	669.5653 _664.588	7.052	[M+Na]+ _[M+NH4]+	ADXAWIIUCSQOAS-SMJOZILHSA-N
DG (38:5)	6.25_665.51 _6.25_660.56	665.5116 _660.5562	6.516	[M+Na]+ _[M+NH4]+	GRGDLDNREYVILP-CNWVQWJYSA-N	noMSMS
DG (38:6) A	5.71_663.50 _5.71_658.54	663.4959658.5405	6.016	[M+Na]+ _[M+NH4]+	YDVDXUYJFQLPEG-CTHJWPIASA-N	noMSMS
DG (38:6) B	6.02_663.49 _6.02_658.54	663.4935 _658.5404	6.015	[M+Na]+ _[M+NH4]+	BXVYQJJBMVVALQ-VVSMSMGFSA-N
GlcCer (d40:1)	6.98_784.67 _6.98_766.66 _6.98_806.65	784.6661 _766.6555 _806.648	7.316	[M+H]+ _[M+H-H2O]+ _[M+Na]+	QMYGQSYNQBLKGY-YAEABVQUSA-N
GlcCer (d42:1)	7.63_812.70 _7.63_794.69 _7.63_834.68	812.69747 _94.6868 _834.6793	7.896	[M+H]+ _[M+H-H2O]+ _[M+Na]+	SNVYJLGKALMFOP-MOLROICHSA-N
GlcCer (d42:2)	6.96_810.68 _6.96_792.676.96_832.66	810.6817 _792.6711 _832.6636	7.262	[M+H]+ _[M+H-H2O]+ _[M+Na]+	WBOZIXHPUPAOIA-RBELZSLISA-N
LPC (14:0)	0.99_468.31	468.3089	1.011	[M+H]+	VXUOFDJKYGDUJI-OAQYLSRUSA-N
LPC (16:0)	1.47_496.34	496.3395	1.62	[M+H]+	ASWBNKHCZGQVJV-HSZRJFAPSA-N
LPC (16:1)	1.09_494.32	494.3237	1.127	[M+H]+	LFUDDCMNKWEORN-ZXEGGCGDSA-N
LPC (18:0)	2.23_524.37	524.3708	2.344	[M+H]+	IHNKQIMGVNPMTC-RUZDIDTESA-N
LPC (18:2)	1.23_520.34	520.3395	1.368	[M+H]+	SPJFYYJXNPEZDW-FTJOPAKQSA-N
LPC (20:0)	3.05_552.40	552.4021	3.158	[M+H]+	UATOAILWGVYRQS-HHHXNRCGSA-N
LPC (20:1)	2.37_550.39	550.3864	2.494	[M+H]+	GJTDRNFWIDPARY-GTPZACKGSA-N
LPC (20:4)	1.20_544.34	544.3403	1.33	[M+H]+	GOMVPVRDBLLHQC-VEJNOCSESA-N
LPC (o-16:0)	1.75_482.36	482.3606	1.782	[M+H]+	VLBPIWYTPAXCFJ-DEOSSOPVSA-N
LPC (p-16:0) or LPC (o-16:1)	1.68_480.35	480.3448	1.764	[M+H]+		either pPC 16:0 or oPC 16:1 the difference is where the double bond is located
LPC (p-18:0) or LPC (o-18:1)	1.91_508.38	508.3762	1.953	[M+H]+		either pPC 18:0 or oPC 18:1 the difference is where the double bond is located
PC (16:0/9:0(CHO))	2.38_650.44	650.4391	2.494	[M+H]+	PPTNNIINSOQWCE-WJOKGBTCSA-N
PC (28:0)	4.22_678.51	678.5065	4.338	[M+H]+	CITHEXJVPOWHKC-UUWRZZSWSA-N
PC (30:0)	4.79_706.54	706.5378	4.927	[M+H]+	RFVFQQWKPSOBED-PSXMRANNSA-N
PC (30:1)	4.33_704.52	704.5225	4.421	[M+H]+	ANKCYRKQDLQXGL-MRDDHZETSA-N
PC (31:0)	5.12_720.56	720.5538	5.366	[M+H]+	NPGWXTIWUUFYAB-DIPNUNPCSA-N
PC (32:0)	5.40_734.57	734.5691	5.559	[M+H]+	KILNVBDSWZSGLL-KXQOOQHDSA-N
PC (32:1)	4.86_732.55	732.5535	4.994	[M+H]+	QIBZFHLFHCIUOT-NPBIGWJUSA-N
PC (32:2)	4.43_730.54	730.5378	4.537	[M+H]+	GPWHCUUIQMGELX-VHQDNGOZSA-N
PC (32:3)	4.79_728.52	728.5222	4.927	[M+H]+	UXEFXNOSLOCOLX-ZCHSEWAGSA-N	Possible M+Na of PC 30:0
PC (33:0)	5.63_748.59	748.5851	5.774	[M+H]+	FHENRYRLCPXONH-LDLOPFEMSA-N	2 conformations
PC (33:1)	5.16_746.57	746.57	5.319	[M+H]+	OFRWLQSOUIZELQ-VEAYGOGPSA-N
PC (33:2)	4.70_744.55	744.5541	4.82	[M+H]+	SBNDHGBVMZMSNL-UESLNCBNSA-N
PC (34:0)	6.05_762.60	762.6004	6.238	[M+H]+	PZNPLUBHRSSFHT-RRHRGVEJSA-N
PC (34:1)	5.52_760.59	760.5904	5.633	[M+H]+	WTJKGGKOPKCXLL-VYOBOKEXSA-N
PC (34:2)	5.04_758.58 _4.98_780.55	758.5751 _780.5535	5.143	[M+H]+ _[M+Na]+	JLPULHDHAOZNQI-ZTIMHPMXSA-N
PC (34:3)	4.60_756.56	756.5514	4.67	[M+H]+	VKVSSDKCKXJFIM-AFYHZPHLSA-N	3 conformations co-eluteing
PC (34:4)	4.37_754.54	754.5381	4.454	[M+H]+	YWDDIWXKFJEMKF-JTZVLWBESA-N
PC (35:1)	5.80_774.61	774.6007	5.94	[M+H]+	MFHIZGSSDZJFKD-IYEJTHTFSA-N	2 conformations
PC (35:2)	5.22_772.59	772.5854	5.434	[M+H]+	MJWAVUYQCBFFHQ-WESJWMGVSA-N	(2 conformations) noMSMS
PC (35:3)	4.86_770.57	770.5694	4.977	[M+H]+	AYXGHIQPMDYMJC-AHMBLZLYSA-N
PC (35:4)	4.63_768.55	768.5538	4.736	[M+H]+	OROZWUJCDDCYAU-IPUAOQJZSA-N
PC (36:1)	6.13_788.62	788.6161	6.312	[M+H]+	ATHVAWFAEPLPPQ-VRDBWYNSSA-N
PC (36:2)	5.64_786.60	786.6004	5.783	[M+H]+	SNKAWJBJQDLSFF-NVKMUCNASA-N
PC (36:3) A	5.07_784.59	784.5848	5.134	[M+H]+	BXRLDROZWDUSGM-ZRYFCQOPSA-N
PC (36:3) B	5.16_784.59	784.5848	5.384	[M+H]+	WZCLAXMADUBPSG-RIXBAXMTSA-
PC (36:4) A	4.64_782.57	782.5694	4.736	[M+H]+	NKQPOVROGSWLTO-NVPMBMBWSA-N
PC (36:4) B	4.91_782.57	782.5721	5.043	[M+H]+	IIZPXYDJLKNOIY-JXPKJXOSSA-N
PC (36:4) C	5.48_782.57	782.5691	5.625	[M+H]+	IIZPXYDJLKNOIY-JXPKJXOSSA-N
PC (36:5) B	4.54_780.56	780.5538	4.719	[M+H]+	SUZYROYNFNQALJ-MHEIZRSESA-N
PC (36:6)	4.22_778.54	778.5378	4.399	[M+H]+	SPWBDEZMKCRQSX-NGPPOSSDSA-N
PC (37:2)	5.92_800.62	800.6161	6.138	[M+H]+	MCZUABDVGPPWPM-HJTCUGKVSA-N
PC (37:3)	5.48_798.60	798.6004	5.634	[M+H]+	OOYQEEUUQRMQKL-JUUDQZDJSA-N
PC (37:4)	5.22_796.59	796.5848	5.368	[M+H]+	QRPUCJXFPYFTMB-FBFLODOBSA-N
PC (37:6)	4.50_792.55	792.5538	4.649	[M+H]+	GEINPYKZLFHHIL-HEXXMCQTSA-N
PC (38:2)	6.20_814.63	814.6317	6.526	[M+H]+	KXXLFCAPKGRXBT-FMJYHZMHSA-N
PC (38:3)	5.79_812.61	812.6137	6.066	[M+H]+	KNNHXKQRTYEWCA-HYYWERRFSA-N
PC (38:4) A	5.53_810.60	810.6004	5.834	[M+H]+	PSVRFUPOQYJOOZ-QNPWAGBNSA-N
PC (38:4) B	6.12_810.60	810.6004	6.312	[M+H]+	DNYKSJQVBCVGOF-LCKGXUDJSA-N
PC (38:5) A	4.97_808.58	808.5848	5.116	[M+H]+	SUACBSWYGWBPFC-GPUJSUHJSA-N
PC (38:5) B	5.14_808.59	808.5848	5.302	[M+H]+	YLWBKBDNHWQEFU-YJXJLLHLSA-N
PC (38:6) A	4.76_806.57	806.5691	4.894	[M+H]+	PLZBTDKJYHXIEW-DZUXOTHRSA-N
PC (38:7)	4.20_804.55	804.5538	4.413	[M+H]+	BNNUJTATKJXKJP-XCDHYEIISA-N
PC (39:6)	4.99_820.59	820.5851	5.216	[M+H]+	QMCWOGICYCFNBF-BWHZRABLSA-N	2 conformations
PC (40:4)	5.98_838.63	838.632	6.266	[M+H]+	FHUAYOMRHXZKHT-JUGJLYODSA-N
PC (40:5) A	5.57_8.36.61	836.6164	5.784	[M+H]+	IJTJDJOOHZVSAC-NDRUHXFFSA-N
PC (40:5) B	5.80_836.61	836.6164	6.034	[M+H]+	SFESOYFQZQJCOY-FXYWPAEZSA-N
PC (40:6) A	5.04_834.60	834.6007	5.267	[M+H]+	KZSXWBSDQDXESU-PPEVQBTRSA-N
PC (40:6) B	5.36_856.58	834.6007	5.584	[M+H]+	TYRTWVKQVGNGSZ-RGBTVBCDSA-N
PC (40:7)	4.82_832.59	832.5848	5.036	[M+H]+	BPUROMFCPFGBOT-ZEGPSQTJSA-N
PC (40:8)	4.41_830.57	830.5694	4.589	[M+H]+	SIMZOWLEIOYZJX-VRCXRDLJSA-N
PC (42:5)	6.05_864.65	864.645	6.266	[M+H]+	APYSSUSAYQRESE-VZWUYPTESA-N	(2 conformations)
PC (42:6)	5.76_862.63	862.6311	6.016	[M+H]+	DSVRMAGYENFTLY-GDDYDVMSSA-N
PC (42:7)	5.40_860.61 _5.40_882.59	860.6122 _882.5949	5.415	[M+H]+ _[M+Na]+	FYVDGOCCFDKYOR-OEQCKVCZSA-N
PC (o-32:0)	5.80_720.59	720.5902	5.98	[M+H]+	SVWBXNAUENUONE-LDLOPFEMSA-N	oPC (32:0)
PC (o-34:0)	6.44_748.62	748.6204	6.644	[M+H]+	ZKTXOJMFIAILJG-VQJSHJPSSA-N	oPC (34:0)
PC (p-32:0) or PC (o-32:1)	5.69_718.57	718.5745	5.857	[M+H]+		pPC (32:0) or oPC (32:1)
PC (p-34:0) or PC (o-34:1)	5.88_746.60	746.6058	6.03	[M+H]+		pPC (34:0) or oPC (34:1)
PC (p-34:1) or PC (o-34:2) A	5.36_744.59	744.5908	5.526	[M+H]+		pPC (34:1) or oPC (34:2)
PC (p-34:1) or PC (o-34:2) B	5.79_744.58	744.5908	5.956	[M+H]+		pPC (34:1) or oPC (34:2)
PC (p-34:2) or PC (o-34:3)	5.27_742.58	742.5745	5.426	[M+H]+		oPC (34:3) or pPC (34:2) depends on double bond placement
PC (p-36:1) or PC (o-36:2)	6.02_772.62	772.6215	6.266	[M+H]+		pPC (36:1) or oPC (36:2), 2 conformations
PC (p-36:2) or PC (o-36:3)	5.48_770.61	770.6058	5.684	[M+H]+		pPC (36:2) or oPC (36:3), 2 conformations
PC (p-36:3) or PC (o-36:4)	5.28_768.59	768.5902	5.418	[M+H]+		pPC (36:4) or oPC (36:3)
PC (p-36:4) or PC (o-36:5)	5.19_766.58	766.5759	5.318	[M+H]+		pPC (36:4) or oPC (36:5)
PC (p-38:2) or PC (o-38:3)	6.21_798.63	798.6359	6.466	[M+H]+		pPC (38:2) or oPC (38:3)
PC (p-38:3) or PC (o-38:4)	5.91_796.62	796.6215	6.166	[M+H]+		pPC (38:3) or oPC (38:4)
PC (p-38:4) or PC (o-38:5) A	5.31_794.60	794.6058	5.468	[M+H]+		pPC (38:4) or oPC (38:5)
PC (p-38:4) or PC (o-38:5) B	5.80_794.61	794.6054	6.116	[M+H]+		pPC (38:4) or oPC (38:5)
PC (p-38:5) or PC (o-38:6)	5.12_792.59	792.5902	5.466	[M+H]+		pPC (38:5) or oPC (38:6)
PC (p-40:1) or PC (o-40:2)	6.64_828.68	828.6842	6.906	[M+H]+
PC (p-40:3) or PC (o-40:4)	6.56_824.65	824.6528	6.866	[M+H]+		pPC (40:3) oPC (40:4)
PC (p-40:4) or PC (o-40:5)	5.92_822.64	822.6371	6.216	[M+H]+		pPC (40:4) oPC (40:5)
PC (p-40:5) or PC (o-40:6)	5.71_820.62	820.6215	5.986	[M+H]+		pPC (40:5) oPC (40:6)
PC (p-40:6) or PC (o-40:7) A	5.18_818.60	818.6058	5.334	[M+H]+		pPC (40:6) or oPC (40:7)
PC (p-40:6) or PC (o-40:7) B	5.60_818.60	818.6058	5.834	[M+H]+		pPC (40:6) or oPC (40:7)
PC (p-42:4) or PC (o-42:5)	6.56_850.67	850.669	6.826	[M+H]+		pPC (42:4) or oPC (42:5)
PC (p-42:5) or PC (o-42:6)	6.01_848.65	848.651	6.266	[M+H]+		pPC (42:5) or oPC (42:6)
PE (34:2)	5.17_716.53	716.5252	5.318	[M+H]+	HBZNVZIRJWODIB-NHCUFCNUSA-N	Has 184 frag
PE (34:3)	4.64_714.51	714.507	4.621	[M+H]+	SSRRIJSEUKHYFB-DFCPKGTFSA-N
PE (36:1)	6.32_746.57	746.57	6.596	[M+H]+	JQKOHRZNEOQNJE-ZZEZOPTASA-N
PE (38:4)	5.70_768.56 _5.74_790.54	768.556 _790.5391	5.72	[M+H]+ _[M+Na]+	ANRKEHNWXKCXDB-BHFWLYLHSA-N
PE (38:6)	4.91_764.52	764.5235	5.043	[M+H]+	LFGBKOUQHCWBQI-BZGLIJSBSA-N
PE (38:7)	4.40_762.51 _4.40_784.49	762.5073 _784.4941	4.383	[M+H]+ _[M+Na]+	PMUXXFUNXMXIFC-OOPCQFHCSA-N
PE (40:7)	4.98_790.54	790.5399	4.956	[M+H]+	JZSZAGWWWKKXLO-RMEBTJIYSA-N
PE (p-36:2) or PE (o-36:3)	6.13_728.56	728.5596	6.312	[M+H]+		pPE (36:2) or oPC (36:3)
PE (p-36:4) or PE (o-36:5)	5.36_724.53	724.5284	5.51	[M+H]+		pPE (36:4) or oPC (36:5)
PE (p-38:4) or PE (o-38:5)	6.01_752.56	752.559	6.196	[M+H]+		pPE (38:4) or oPC (38:5)
PE (p-38:5) or PE (o-38:6)	5.41_750.54	750.5437	5.654	[M+H]+		pPE (38:5) or oPC (38:6)
PE (p-40:5) or PE (o-40:6)	6.03_778.57	778.574	6.296	[M+H]+		pPE (40:5) or oPC (40:6)
SM (d32:1)	4.13_675.54	675.5439	4.247	[M+H]+	KYICBZWZQPCUMO-PSALXKTOSA-N
SM (d33:1)	4.42_689.56	689.5592	4.537	[M+H]+	LQINJRUGTUOHGS-YPDYIYJKSA-N
SM (d34:0)	4.94_727.57	705.5905	5.076	[M+H]+	QHZIGNLCLJPLCU-QPPIDDCLSA-N
SM (d34:1)	4.72_703.58	703.5773	4.836	[M+H]+	RWKUXQNLWDTSLO-GWQJGLRPSA-N
SM (d34:2)	4.23_701.56	701.5602	4.346	[M+H]+	YLWSJLLZUHSIEA-CKSUKHGVSA-N
SM (d36:0)	5.61_733.62	733.6218	5.741	[M+H]+	JCELSEVNSMXGKA-IOLBBIBUSA-N
SM (d36:1)	5.35_731.61	731.608	5.517	[M+H]+	LKQLRGMMMAHREN-YJFXYUILSA-N
SM (d36:2)	4.82_729.59	729.5917	4.953	[M+H]+	NBEADXWAAWCCDG-QDDWGVBQSA-N
SM (d37:1)	5.72_745.62	745.6218	5.934	[M+H]+	HAFQHLHNPJDAGB-MAJDXUCPSA-N
SM (d38:0)	6.29_761.65	761.6531	6.546	[M+H]+	UGRZESKDAPEULH-ACEXITHZSA-N
SM (d38:1)	6.02_759.64	759.6387	6.221	[M+H]+	AADLTHQNYQJHQV-SVLGDMRNSA-N
SM (d38:2)	5.46_757.62	757.6213	5.609	[M+H]+	MDRFMTLYKHBJTF-NQYLGBTJSA-N
SM (d39:1)	6.37_773.65	773.6527	6.561	[M+H]+	YXSZOBWVQJIWNE-LUJNSPTCSA-N
SM (d40:0)	6.96_789.68	789.6844	7.125	[M+H]+	FONAXCRWZQFJHY-JCGOJSMZSA-N
SM (d40:1)	6.69_787.67	787.6704	6.884	[M+H]+	FJJANLYCZUNFSE-QVMKKYBKSA-N
SM (d40:2) A	6.01_785.66	785.6531	6.204	[M+H]+ A	FOULCGVQZYQEQM-DNXGLLHMSA-N
SM (d40:2) B	6.12_785.66	785.6531	6.312	[M+H]+ B	VBFKEZGCUWHGSK-ADSSWVSQSA-N
SM (d41:1)	6.90_801.68	801.6827	7.216	[M+H]+	SXZWBNWTCVLZJN-NMIJJABPSA-N
SM (d41:2)	6.34_799.67	799.6686	6.627	[M+H]+	JBDGKEXQKCCQFK-JWQIMADESA-N	2 conformations
SM (d42:0)	7.61_817.72	817.7157	7.771	[M+H]+	SMJLGESYPKPRNU-CRCOQUFZSA-N
SM (d42:1)	7.35_815.70	815.7012	7.54	[M+H]+	QEDPUVGSSDPBMD-XTAIVQBESA-N
SM (d42:2)	6.67_813.69	813.6873	6.851	[M+H]+ A	DACOGJMBYLZYDH-GXJPFUDISA-N
SM (d42:3)	6.11_811.67	811.6664	6.296	[M+H]+	TXFLWJQVQCDUDZ-BRUGZULGSA-N
SM (d43:1)	7.55_829.71	829.7157	7.763	[M+H]+	LXMARZYBSFYVSY-KUQVZNNZSA-N
SM (d43:2)	6.99_827.70	827.7001	7.174	[M+H]+ B	BJXQFQDUJVIUAH-XSFBYAMLSA-N
SM (d44:2)	7.31_841.72	841.7157	7.586	[M+H]+	YXEXWUZHFGYOHJ-UOJCCMJYSA-N
TG (14:0/14:0/14:0)	9.43_745.63 _9.43_740.68	745.6317 _740.6763	9.496	[M+Na]+ _[M+NH4]+	DUXYWXYOBMKGIN-UHFFFAOYSA-N
TG (40:1)	8.36_715.58 _8.37_710.63	715.584 _710.6298	8.348	[M+Na]+ _[M+NH4]+	GKTDXHXZBFIZJU-OIJJMQLXSA-N
TG (42:1)	8.95_743.62 _8.95_738.66	743.6162 _738.6606	8.933	[M+Na]+ _[M+NH4]+	PMWOTNASJLOLJE-BNQAGZCGSA-N
TG (42:2)	8.45_741.60 _8.45_736.64	741.6001 _736.6446	8.431	[M+Na]+ _[M+NH4]+	IDWYMMYRNPSLDA-NNBKTNTFSA-N
TG (44:1)	9.43_771.65 _9.43_766.69	771.6473 _766.6919	9.521	[M+Na]+ _[M+NH4]+	OUKDNADVOQVFAR-NBTXLFQMSA-N
TG (44:2)	9.02_769.63 _9.01_764.67	769.6316 _764.6762	8.993	[M+Na]+ _[M+NH4]+	LJXSUVSRRMQRRA-WHTYERKGSA-N
TG (46:0)	10.36_796.74	796.7389	10.449	[M+NH4]+	JWVXCFSNEOMSHH-UHFFFAOYSA-N
TG (46:1)	9.93_799.68 _9.93_794.72	799.6786 _794.7232	10.01	[M+Na]+ _[M+NH4]+	RSDIQTNCDWUNDP-VHXPQNKSSA-N
TG (46:2)	9.50_797.66 _9.50_792.71	797.663 _792.7076	9.578	[M+Na]+ _[M+NH4]+	XUEMVUXNOCIHLG-MOFPORNTSA-N
TG (46:3)	9.00_795.65 _9.00_790.69	795.6473 _790.6899	9.131	[M+Na]+ _[M+NH4]+	YCZHBUHPOJGNKX-YLZDBGKXSA-N
TG (48:0)	10.81_829.73 _10.81_824.77	829.7256 _824.7702	11.016	[M+Na]+ _[M+NH4]+	PVNIQBQSYATKKL-UHFFFAOYSA-N
TG (48:1)	10.38_827.71 _10.38_822.75	827.7099 _822.7545	10.466	[M+Na]+ _[M+NH4]+	FEKLSEFRUGWUOS-DLOIZKPKSA-N
TG (48:2)	9.98_825.69 _9.98_820.74	825.6943 _820.7389	10.059	[M+Na]+ _[M+NH4]+	RUOVJPPUXXFZPC-YZEIBMOJSA-N
TG (48:3)	9.53_823.68 _9.53_818.72	823.6789 _818.7232	9.612	[M+Na]+ _[M+NH4]+	SKGWNZXOCSYJQL-BUTYCLJRSA-N
TG (49:0)	10.96_843.74 _10.96_838.79	843.7412 _838.7858	11.092	[M+Na]+ _[M+NH4]+	TTWJTJMWHOYBPQ-ANFMRNGASA-N
TG (49:1)	10.59_841.73 _10.59_836.77	841.7256 _836.7702	10.665	[M+Na]+ _[M+NH4]+	VYYGQDOPVVYUKW-UKFBYESTSA-N
TG (49:2)	10.18_839.71 _10.18_834.76	839.7118 _834.7545	10.242	[M+Na]+ _[M+NH4]+	QZYSUBAQYSVFNX-PSMULLBHSA-N
TG (49:3)	9.80_837.69 _9.79_832.74	837.6943 _832.7389	9.86	[M+Na]+ _[M+NH4]+	DIGMYZZFQSIQBD-PNLKURBTSA-N
TG (50:0)	11.20_857.76 _11.20_852.80	857.7569 _852.8015	11.278	[M+Na]+ _[M+NH4]+	MARPCPMDFOPPJX-UHFFFAOYSA-N
TG (50:1)	10.80_855.7 _410.80_850.79	855.7412 _850.7858	10.888	[M+Na]+ _[M+NH4]+	YHMDGPZOSGBQRH-YYSBDVFPSA-N
TG (50:2)	10.41_853.73 _10.41_848.77	853.7256 _848.7702	10.49	[M+Na]+ _[M+NH4]+	QEZWFCZNHWUARW-XQCAQTCHSA-N
TG (50:3)	10.01_851.71 _10.01_846.76	851.7099 _846.7545	10.084	[M+Na]+ _[M+NH4]+	UFHNZOACKFBCOM-YXKNDSBASA-N
TG (50:4)	9.61_849.69 _9.61_844.74	849.6943 _844.7389	9.695	[M+Na]+ _[M+NH4]+	PVMBAGXWHHZKFP-JMPJWMFJSA-N
TG (50:5)	9.21_847.68 _9.21_842.72	847.6786 _842.7232	9.306	[M+Na]+ _[M+NH4]+	AFTBPUXZTDLRSP-UDQIKIEDSA-N
TG (51:1)	10.93_869.76 _10.93_864.80	869.7569 _864.8015	11.022	[M+Na]+ _[M+NH4]+	OZAXLAGNPZMZAD-BOEMPQCLSA-N	(2 conformations)
TG (51:2)	10.61_867.74 _10.61_862.79	867.7412 _862.7858	10.69	[M+Na]+ _[M+NH4]+	NSNSZGBCOIKUBU-SZOKBDNISA-N
TG (51:3)	10.23_865.73 _10.23_860.77	865.7256 _860.7702	10.316	[M+Na]+ _[M+NH4]+	ISSGPXMQOMAFMJ-DMGKHJLRSA-N
TG (51:4)	9.85_863.71 _9.85_858.75	863.7099 _858.753	9.943	[M+Na]+ _[M+NH4]+	IIRQXNVLAXQEKB-KBEZCZBDSA-N
TG (52:0)	11.56_885.79 _11.56_880.83	885.7882 _880.8328	11.687	[M+Na]+ _[M+NH4]+	SDNYRTVJOFMYIW-OIVUAWODSA-N
TG (52:1)	11.20_883.77 _11.20_878.82	883.7725 _878.8171	11.286	[M+Na]+ _[M+NH4]+	NPCZZYKITFKRQZ-RFBIWTDZSA-N	TG(18:0/16:0/18:1)
TG (52:2)	10.88_881.76 _10.88_876.80	881.7569 _876.8015	10.897	[M+Na]+ _[M+NH4]+	TXMWKTABZBAJCW-QLHBUVOUSA-N
TG (52:3)	10.46_879.74 _10.46_874.79	879.7412 _874.7858	10.54	[M+Na]+ _[M+NH4]+	DQXQIWIQYYEGLG-MMWLGPPDSA-N
TG (52:4)	10.09_877.73 _10.09_872.77	877.7256 _872.7702	10.167	[M+Na]+ _[M+NH4]+	WHSWXEYWNPTUPW-HNJDVRDNSA-N	2 conformations
TG (52:5)	9.71_875.71 _9.71_870.76	875.7099 _870.7545	9.794	[M+Na]+ _[M+NH4]+	CQZAAIKPSLHIBC-KDJOUNIJSA-N	(2 conformations)
TG (52:6)	9.35_873.69 _9.35_868.74	873.6943 _868.7389	9.416	[M+Na]+ _[M+NH4]+	SSOSFUDNINFYLJ-KIYGNKBKSA-N	2 conformations
TG (53:1)	11.35_897.79 _11.35_892.83	897.7882 _892.8328	11.516	[M+Na]+ _[M+NH4]+	WWJIBIGWKGFVAQ-JNSYTQKUSA-N
TG (53:2)	11.00_895.77 _11.00_890.82	895.7725 _890.8171	11.079	[M+Na]+ _[M+NH4]+	RSINITWKVQRWSZ-RFVLVDBCSA-N
TG (53:3)	10.64_893.76 _10.64_888.80	893.7569 _888.8015	10.866	[M+Na]+ _[M+NH4]+	ZNQBEJJYVJSZLM-LEDQTTRKSA-N
TG (53:4)	10.31_891.74 _10.31_886.79	891.7412 _886.7858	10.476	[M+Na]+ _[M+NH4]+	BMSDHYZLQWTKSQ-LSJAAEOESA-N
TG (53:5)	9.86_889.73 _9.86_884.77	889.7256 _884.7702	10.066	[M+Na]+ _[M+NH4]+	QHYAATSKYBYSLG-BXDFBOBBSA-N
TG (54:1)	11.56_911.80 _11.56_906.85	911.8038 _906.8484	11.687	[M+Na]+ _[M+NH4]+	YFFIQXNTTVSKJC-NZEOUKRFSA-N
TG (54:2)	11.20_909.79 _11.20_904.83	909.7882 _904.8328	11.286	[M+Na]+ _[M+NH4]+	WUUWGORPQFKFQN-XDVOZUNOSA-N
TG (54:3)	10.84_907.77 _10.84_902.82	907.7725 _902.8171	10.923	[M+Na]+ _[M+NH4]+	PHYFQTYBJUILEZ-IUPFWZBJSA-N
TG (54:4)	10.48_905.7610.48_900.80	905.7569 _900.8015	10.557	[M+Na]+ _[M+NH4]+	BRLGHZXETDWABO-NOFIOOQLSA-N
TG (54:5) A	10.10_903.74 _10.10_898.79	903.7412 _898.7858	10.266	[M+Na]+ _[M+NH4]+	VVEBTVMJPTZDHO-YQFZQLSNSA-N	possible (18:1/18:2/18:2)
TG (54:5) B	10.32_903.74 _10.32_898.79	903.7412 _898.7858	10.466	[M+Na]+ _[M+NH4]+	OEJXMJPFOHYSIU-GRLFFVHSSA-N
TG (54:6) A	9.70_901.73 _9.70_896.77	901.7256 _896.7702	9.886	[M+Na]+ _[M+NH4]+	HBOQXIRUPVQLKX-BBWANDEASA-N	possible(18:2/18:2/18:2)
TG (54:6) B	9.95_901.73 _9.95_896.77	901.7256 _896.7702	10.116	[M+Na]+ _[M+NH4]+	CDNDFDKFZBPPFW-AXJGXPKFSA-N
TG (54:7) A	9.40_899.71 _9.40_894.75	899.7101 _894.7533	9.384	[M+Na]+ _[M+NH4]+	GBDGUGNAHCFRDF-HCMATFEHSA-N
TG (54:7) B	9.67_899.71 _9.68_894.75	899.7117 _894.753	9.663	[M+Na]+ _[M+NH4]+	RTHDUZGGPUMUEU-LTQCMFPBSA-N
TG (55:1)	11.71_925.82 _11.71_920.86	925.8171 _920.8633	11.687	[M+Na]+ _[M+NH4]+	ZYVNTODVJDOUDW-HTHROTNSSA-N
TG (55:2)	11.43_923.8011.43_918.85	923.7983 _918.8456	11.414	[M+Na]+ _[M+NH4]+	SYUSUQJTEKOQOE-JDIAMVNZSA-N
TG (55:3)	11.08_921.79 _11.08_916.83	921.7858 _916.8299	11.064	[M+Na]+ _[M+NH4]+	AFJMFAQYZRZRJI-TYSGSQAUSA-N
TG (56:1)	11.85_939.84 _11.85_934.88	939.8351 _934.8797	11.961	[M+Na]+ _[M+NH4]+	OCYFAHIHWCVZKS-FHSLLVMSSA-N
TG (56:2)	11.56_937.82 _11.56_932.86	937.8195 _932.8641	11.687	[M+Na]+ _[M+NH4]+	PDEQUPGHMOMBFC-FYEHETCMSA-N
TG (56:3)	11.20_935.80 _11.20_930.85	935.8038 _930.8484	11.286	[M+Na]+ _[M+NH4]+	QXMHHXQBBKDSSL-BAQZNRHJSA-N	probable (18:1/18:1/20:1)
TG (56:4)	10.88_933.79 _10.88_928.83	933.7882 _928.8328	11.066	[M+Na]+ _[M+NH4]+	YONCDTJKIZDSKQ-IYASBODOSA-N
TG (56:5)	10.77_931.77 _10.77_926.82	931.7725 _926.8171	10.936	[M+Na]+ _[M+NH4]+	UHEJWASONFIROS-YPSHDQQVSA-N
TG (56:6)	10.32_929.76 _10.32_924.80	929.7569 _924.8015	10.536	[M+Na]+ _[M+NH4]+	ZTNDRFCABXFVMY-WJTCTALZSA-N
TG (56:7)	9.96_927.74 _9.96_922.79	927.7412 _922.7858	10.126	[M+Na]+ _[M+NH4]+	DODZUDCYRVWEOJ-GKZBLMSTSA-N	possible (16:0/18:1/20:5)
TG (56:8)	9.76_925.73 _9.76_920.77	925.7256 _920.7702	9.946	[M+Na]+ _[M+NH4]+	UBGUHMDKBGQUND-VPFWBQFRSA-N
TG (58:1)	11.99_967.87 _11.99_962.91	967.8664 _962.911	12.102	[M+Na]+ _[M+NH4]+	OWZMHFAFGQCCNI-FBXRAONGSA-N
TG (58:2)	11.85_965.85 _11.85_960.90	965.8508 _960.8954	11.961	[M+Na]+ _[M+NH4]+	NFQQJRGJJVQGAV-MEADVOAOSA-N
TG (58:3)	11.58_963.84 _11.58_958.88	963.8351 _958.8797	11.712	[M+Na]+ _[M+NH4]+	RFMSTHTUAZETPD-JJPHLYBUSA-N
TG (58:4)	11.22_961.82 _11.22_956.86	961.8195 _956.8641	11.386	[M+Na]+ _[M+NH4]+	CCKRHDUCFMOBKX-AAINFQTBSA-N
TG (58:6)	10.65_957.79 _10.65_952.83	957.7882 _952.8328	10.836	[M+Na]+ _[M+NH4]+	GSNFRUMSEHHPSY-LCXCSEBNSA-N
TG (58:8)	10.15_953.76 _10.15_948.80	953.7569 _948.8015	10.466	[M+Na]+ _[M+NH4]+	KWIGMCRWEINBIR-HUPVKWKYSA-N
TG (58:9)	9.79_951.74 _9.79_946.79	951.7412 _946.7858	9.966	[M+Na]+ _[M+NH4]+	RVXFSLZMZOFGEQ-SWIIBWKZSA-N
TG (60:2)	11.99_993.88 _11.99_988.93	988.9267 _993.8821	12.102	[M+Na]+ _[M+NH4]+	QPNVLDQSHXVPMG-JMYPUKFOSA-N
METABOLITES_END
#END