#METABOLOMICS WORKBENCH michaelsa93_20160211_9663991_mwtab.txt DATATRACK_ID:508 kenanazam_20160216_152023 STUDY_ID:ST000346 ANALYSIS_ID:AN000561 PROJECT_ID:PR000278
VERSION             	1
CREATED_ON             	February 16, 2016, 4:18 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolites detected from human bronchoalveolar lavage
PR:PROJECT_SUMMARY               	This is a preliminary trial to determine how viable this system will be to use
PR:PROJECT_SUMMARY               	on a much larger number of samples (up to 150). We would like to determine the
PR:PROJECT_SUMMARY               	range, number of metabolite species, and relative concentrations than can be
PR:PROJECT_SUMMARY               	detected in human bronchoalveolar lavage. We would also like to determine how
PR:PROJECT_SUMMARY               	clear the distinction is between the 3 patient groups as this will inform us as
PR:PROJECT_SUMMARY               	to how many of the 150 samples we need to run in the study proper.
PR:INSTITUTE                     	University of California, Davis
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                	NIH U24DK097154
#STUDY
ST:STUDY_TITLE                   	Metabolites detected from human bronchoalveolar lavage
ST:STUDY_SUMMARY                 	This is a preliminary trial to determine how viable this system will be to use
ST:STUDY_SUMMARY                 	on a much larger number of samples (up to 150). We would like to determine the
ST:STUDY_SUMMARY                 	range, number of metabolite species, and relative concentrations than can be
ST:STUDY_SUMMARY                 	detected in human bronchoalveolar lavage. We would also like to determine how
ST:STUDY_SUMMARY                 	clear the distinction is between the 3 patient groups as this will inform us as
ST:STUDY_SUMMARY                 	to how many of the 150 samples we need to run in the study proper.
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                    	8
ST:TOTAL_SUBJECTS                	32
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	Mild_5148	BAL_Mild_5148_009	Treatment:Mild Asthma	
SUBJECT_SAMPLE_FACTORS           	Mild_5965	BAL_Mild_5965_010	Treatment:Mild Asthma	
SUBJECT_SAMPLE_FACTORS           	Mild_6816	BAL_Mild_6816_008	Treatment:Mild Asthma	
SUBJECT_SAMPLE_FACTORS           	Mild_7223	BAL_Mild_7223_007	Treatment:Mild Asthma	
SUBJECT_SAMPLE_FACTORS           	Mild_7693	BAL_Mild_7693_006	Treatment:Mild Asthma	
SUBJECT_SAMPLE_FACTORS           	Normal_6880	BAL_Normal_7295_012	Treatment:No Asthma	
SUBJECT_SAMPLE_FACTORS           	Normal_7042	BAL_Normal_6880_015	Treatment:No Asthma	
SUBJECT_SAMPLE_FACTORS           	Normal_7230	BAL_Normal_7042_014	Treatment:No Asthma	
SUBJECT_SAMPLE_FACTORS           	Normal_7295	BAL_Normal_7230_013	Treatment:No Asthma	
SUBJECT_SAMPLE_FACTORS           	Normal_7376	BAL_Normal_7376_011	Treatment:No Asthma	
SUBJECT_SAMPLE_FACTORS           	Severe_5842	BAL_Severe_5842_005	Treatment:Severe Asthma	
SUBJECT_SAMPLE_FACTORS           	Severe_6247	BAL_Severe_6247_004	Treatment:Severe Asthma	
SUBJECT_SAMPLE_FACTORS           	Severe_6339	BAL_Severe_6339_003	Treatment:Severe Asthma	
SUBJECT_SAMPLE_FACTORS           	Severe_7277	BAL_Severe_7277_002	Treatment:Severe Asthma	
SUBJECT_SAMPLE_FACTORS           	Severe_7747	BAL_Severe_7747_001	Treatment:Severe Asthma	
SUBJECT_SAMPLE_FACTORS           	Severe_7747	BAL_Severe_7747_007	Treatment:Severe Asthma	
SUBJECT_SAMPLE_FACTORS           	Biorec01	Kailko_Biorec01	Treatment:Quality Control	
SUBJECT_SAMPLE_FACTORS           	Biorec01	Kailko_Biorec01_1	Treatment:Quality Control	
#COLLECTION
CO:COLLECTION_SUMMARY            	"50ml of hospital grade sterile saline was instilled into the lungs of human
CO:COLLECTION_SUMMARY            	volunteers. As much liquid as possible is then gently suctioned out. The sample
CO:COLLECTION_SUMMARY            	is then centrifuged to remove cellular material and debris, and supernatant
CO:COLLECTION_SUMMARY            	collected and frozen at -80C"
CO:COLLECTION_PROTOCOL_FILENAME  	StudyDesign-GerardKaiko10202015.pdf
CO:SAMPLE_TYPE                   	Bronchoalveolar lavage supernatant
#TREATMENT
TR:TREATMENT_SUMMARY             	"The 3 groups are as follows: 1. Healthy controls (5) 2. Subjects with mild
TR:TREATMENT_SUMMARY             	asthma (5) 3. Subjects with severe asthma (5)"
TR:TREATMENT_PROTOCOL_FILENAME   	StudyDesign-GerardKaiko10202015.pdf
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	None
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	UPLC
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 6530
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: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      	Same
CH:TARGET_SAMPLE_TEMPERATURE     	Autosampler temp 4 C
CH:RANDOMIZATION_ORDER           	Excel
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:DETECTOR_TYPE                 	TOF MCP
AN:SOFTWARE_VERSION              	MassHunter
AN:DATA_FORMAT                   	.d
#MS
MS:INSTRUMENT_NAME               	Agilent 6530 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Lipidomics runs are MS1 data; Identifications made from pooled MS/MS runs
MS:MS_COMMENTS                   	Lipidomics runs are performed in negative and positve mode (two filenames)
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        	200
MS:ION_SPRAY_VOLTAGE             	1000
MS:IONIZATION                    	Neg
MS:PRECURSOR_TYPE                	Intact Molecule
MS:REAGENT_GAS                   	Nitrogen
MS:SOURCE_TEMPERATURE            	325 C
MS:DATAFORMAT                    	.d
MS:DESOLVATION_GAS_FLOW          	11 l/min
MS:DESOLVATION_TEMPERATURE       	350 C
MS:NEBULIZER                     	35 psig
MS:OCTPOLE_VOLTAGE               	750
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	BAL_Mild_5148_009	BAL_Mild_5965_010	BAL_Mild_6816_008	BAL_Mild_7223_007	BAL_Mild_7693_006	BAL_Normal_6880_015	BAL_Normal_7042_014	BAL_Normal_7230_013	BAL_Normal_7295_012	BAL_Normal_7376_011	BAL_Severe_5842_005	BAL_Severe_6247_004	BAL_Severe_6339_003	BAL_Severe_7277_002	BAL_Severe_7747_001	Kailko_Biorec01	Kailko_Biorec01_1
Factors	Treatment:Mild Asthma	Treatment:Mild Asthma	Treatment:Mild Asthma	Treatment:Mild Asthma	Treatment:Mild Asthma	Treatment:No Asthma	Treatment:No Asthma	Treatment:No Asthma	Treatment:No Asthma	Treatment:No Asthma	Treatment:Severe Asthma	Treatment:Severe Asthma	Treatment:Severe Asthma	Treatment:Severe Asthma	Treatment:Severe Asthma	Treatment:Quality Control	Treatment:Quality Control
1_CE (22:1) iSTD	107159	101769	104930	101512	106961	103216	102926	103366	101440	106631	104752	106925	105900	105412	103868	85061	86573
1_CE (22:1) iSTD	1641737	1532680	1598673	1515619	1624090	1557546	1561350	1440290	1495859	1619749	1551239	1634769	1558272	1784458	1561361	976249	975631
1_Ceramide C17 iSTD	541802	533500	459019	543022	515786	557069	521168	424923	513046	617660	559981	521913	509264	590132	478189	234891	242998
1_Ceramide C17 iSTD	223843	216545	179231	267844	207944	224651	241601	161215	207369	250865	229707	212211	207095	246940	203889	76351	81315
1_Ceramide C17 iSTD	179097	183218	159805	200528	182537	188794	179845	164038	184806	203123	201363	185859	174124	189233	168062	105190	104147
1_Cholesterol d7 iSTD	46286	29146	44372	25093	30882	34401	24217	27706	29716	28823	31333	36579	46139	38203	37111	9996	9549
1_CUDA (pos) iSTD iSTD	71390	43266	60048	87838	69139	44307	64603	39371	43427	58298	64421	65911	63569	96298	96169	66539	68252
1_DG (12:0/12:0/0:0) iSTD	97922	99846	97304	96925	95556	96915	96080	97364	96724	98477	97869	97174	98600	97151	93875	72710	72048
1_DG (12:0/12:0/0:0) iSTD	120318	116138	100430	131822	115417	117548	125333	94024	114820	127536	119823	113124	113243	132753	111068	49080	47957
1_DG (18:1/2:0/0:0) iSTD	549701	573542	514757	553149	553068	575852	570244	522174	580867	606347	575484	544682	548591	565836	537578	317656	316518
1_DG (18:1/2:0/0:0) iSTD	339815	320390	285466	359285	333557	326306	342014	269291	319937	366147	345018	305923	321973	369651	328825	144149	146521
1_LPC (17:0) iSTD	936770	952092	751875	1117093	952336	976634	1023398	741571	920696	1172352	1037768	938910	921978	1208647	920451	402688	398386
1_LPE (17:1) iSTD	63824	74321	58748	85556	74195	69334	80408	59906	72481	89048	81109	69563	68991	86615	69416	27610	29198
1_MG (17:0/0:0/0:0) iSTD	57775	55935	48818	63015	55572	55859	58935	48549	56175	59869	57786	54963	55027	59500	53972	30992	28687
1_MG (17:0/0:0/0:0) iSTD	48084	45485	43233	48200	45702	47686	47948	40335	45352	46614	46728	45865	43415	49991	42941	31266	29044
1_PC (25:0) iSTD	151633	144194	124364	171122	146882	149132	163923	112042	136601	171512	156599	143842	140715	165521	136174	46900	46524
1_PE (17:0/17:0) iSTD	462611	411594	403560	596967	494540	513117	497621	359612	503475	531679	562708	485631	528801	732072	518141	177827	181371
1_SM (d35:1) iSTD	446143	538661	360794	502880	513691	531173	495292	443016	507660	558776	526182	518320	420877	559160	461919	161543	162417
1_Sphingosine (d17:1) iSTD	131889	129079	109011	163028	178819	125808	162542	94794	119766	165717	153462	115950	125836	156525	143444	71309	71565
1_TG (17:0/17:1/17:0)-d5 iSTD	181044	168052	172629	195352	165947	168611	159889	133887	155802	182557	178547	169220	164485	185161	185386	98320	99928
1_TG (17:0/17:1/17:0)-d5 iSTD	605714	555806	567620	748058	551855	597864	502785	397519	489528	688724	648199	593292	529553	721590	693668	224507	216205
Acylcarnitine C16:0	544	2759	727	3067	1744	1363	7065	3647	7759	1699	2626	1194	527	1075	944	4742	4812
Acylcarnitine C18:1	418	3060	257	4028	1869	1067	8923	5383	10493	1641	3533	1262	368	1326	961	5721	6339
CE (18:1)	1908	1253	1410	1918	17129	1495	31342	1376	1547	2956	7199	1622	1432	7473	13216	129644	131849
CE (18:2)	1502	3193	1545	4660	158346	3082	238511	3327	2382	22599	66275	2780	2306	69439	109153	842337	849460
CE (18:3)	302	361	409	435	3161	413	4989	371	263	707	2161	181	435	1470	2349	23925	23218
CE (20:4)	783	1174	625	1605	11131	1240	64795	1100	876	3623	10443	1246	1247	11511	20494	224506	228735
Cholesterol	5796	23297	3576	30467	27854	17782	33145	27524	24070	28218	25680	16340	5097	17258	16978	45338	45386
LPC (16:0)	1301	8850	603	9357	13589	4171	74196	11261	7895	6117	15335	7226	1573	4546	7145	2471750	2466895
LPC (18:0)	1260	10703	980	12869	9360	3106	61453	8648	11674	5825	12752	4352	1145	2643	4864	1092802	1049639
LPC (18:1)	422	1236	328	2000	2735	665	13289	2084	1655	1492	3331	1581	413	1005	1572	276153	272674
PC (16:0/9:0(CHO))	642	2470	303	7500	3402	2561	5137	1599	2636	3129	2884	577	584	2320	1218	5234	5598
PC (28:0)	4141	166208	965	85089	52740	107701	144326	75588	72993	161862	102138	36505	3683	13042	48505	6457	6740
PC (30:0)	210736	4691878	30653	5513129	3316471	3731591	5319600	3786134	4312203	4602874	3626361	1914277	164415	1260878	1213089	113533	117891
PC (30:1)	2590	85782	985	106759	39534	75265	89091	78222	91784	50041	59776	30069	2254	16118	13512	6417	6732
PC (31:0)	23644	671723	3869	951199	543568	502972	1057407	578917	943117	658039	436515	253494	15571	152100	132187	14670	15448
PC (32:0)	781506	8782032	195299	12742434	8418582	8674607	12257897	9634853	10532687	10652430	9142895	6477237	639461	6816326	4597695	419774	452292
PC (32:1)	69185	2387933	12427	4304294	1714592	2137993	2601887	2845831	3617606	1969107	1738678	1450017	46721	991400	570379	42493	352455
PC (32:2)	3248	53774	1051	201935	56950	81646	147660	73604	90770	92240	102954	27358	2436	24756	18528	82825	81393
PC (32:3)	11387	503811	1913	467002	374942	422234	453260	435517	461946	476644	387587	181326	9536	100821	97987	12654	11729
PC (33:0)	15249	360299	2754	368713	255246	191843	607447	319781	566163	322856	214945	153214	8298	90777	47467	7652	7926
PC (33:1)	8657	153225	1686	329937	113100	147472	305873	146730	265868	169152	161255	87409	7498	62531	40409	110271	105878
PC (33:2)	1069	12405	422	49794	16539	14841	48342	12218	18791	21921	19864	5491	1243	6129	5972	82655	82329
PC (34:0)	26721	566286	11846	1923153	491571	640168	2305936	493209	622221	1374167	1273281	253017	32942	320807	134864	99807	101037
PC (34:2)	100282	2170921	19552	5958853	2940924	2662823	5323476	2647359	2704976	4116263	3429582	1149326	122515	2002621	1554739	8900749	8975716
PC (34:3)	3298	76423	495	412436	107475	98004	334918	79330	119831	197094	131711	37032	6092	42546	29038	157440	155973
PC (34:4)	812	11776	551	55966	16239	20766	59669	18211	16871	48209	31521	5953	1209	6872	6556	25550	25266
PC (35:1)	1991	20541	451	27255	22406	22295	44061	16455	28123	17836	17710	14159	2067	14426	9907	51141	52870
PC (35:1)	2065	26227	830	48357	21827	21447	61535	22447	37211	30791	30684	13846	2226	14140	8823	50040	49262
PC (35:2)	2358	26669	581	136881	37546	31582	140549	30086	46740	67335	49841	14081	2877	19750	15966	206379	204073
PC (35:2)	2182	24105	837	63299	25879	21055	91918	25883	40104	36370	33254	13432	2287	11957	16311	75381	75450
PC (35:3)	582	4675	563	24288	6671	8834	19058	6948	8586	10078	14127	3122	955	4162	2786	27988	26947
PC (35:4)	335	1293	277	3866	3217	1737	9589	1758	2163	2775	2705	1114	391	1012	2009	26821	25480
PC (36:1)	9865	262544	4026	514239	207882	202037	602456	173224	226631	355647	354237	103454	14714	157387	77761	923805	924154
PC (36:2)	28670	601385	12088	2114640	1055518	774214	2405650	598851	648940	1522644	1421546	264611	45791	549256	409195	6220095	6271995
PC (36:3) A	13739	376822	4821	1936136	550987	658277	1405062	544186	553714	967922	1200154	185027	19660	380202	186884	1718640	1695238
PC (36:3) B	11276	281667	3976	1665017	250373	542545	1200998	445587	443908	847943	1019259	68065	11845	117084	131486	2141084	2143667
PC (36:4) A	5712	114728	1747	1023726	215088	239424	1045750	168507	157190	602819	557585	39099	6813	101626	70232	872020	874049
PC (36:4) B	14104	372535	3561	657153	646863	338101	1672236	290761	443109	617926	564174	265606	22829	276073	346377	5299072	5357965
PC (36:4) C	216048	3020860	61468	4597549	2521984	2839464	4220110	2831037	3331117	3357375	3395854	1936127	231929	2289907	1432561	4373766	4370339
PC (36:5) A	656	5836	425	39394	11937	10394	44262	6447	7533	22080	16175	2809	936	5097	3680	22022	22790
PC (36:5) B	1837	48994	678	90527	28652	38729	161534	25147	48446	66044	53744	19240	2599	15459	18317	318865	311177
PC (37:4)	973	7965	485	19164	12727	6883	48151	5588	13371	14756	12664	6158	841	5000	6764	31540	84679
PC (38:2)	2342	11974	1432	28676	17232	12538	41979	13088	14524	21467	18113	9417	2506	11911	7304	119835	117216
PC (38:3)	1422	13181	752	27407	40034	16097	101675	10336	11841	30035	37980	6708	2867	19770	28561	843512	824899
PC (38:4) A	9824	118337	5018	186520	336795	108638	671244	78234	116183	220305	245775	85615	21412	129401	191360	3093167	3025024
PC (38:4) B	1719	18412	689	54195	14955	13445	77488	11654	17002	31347	29484	6718	1914	9840	7131	151710	145180
PC (38:5) A	2224	45772	1147	93659	86248	49660	235803	35115	56864	73620	103034	32870	3650	36196	42586	746135	748975
PC (38:5) B	1408	43542	1173	73944	55671	33282	155241	28353	40622	76623	58702	20321	1893	14847	21713	405696	409150
PC (38:6) A	3973	71899	1198	126365	127020	51487	277673	44644	106148	107278	63258	50690	4028	60474	98383	2022894	2068625
PC (40:4)	541	2280	504	3636	6198	1595	14936	1839	1863	3541	3881	2541	911	2822	3404	103201	101482
PC (40:5) A	1478	6270	1403	8115	15899	5917	33059	4232	5263	8446	11165	5235	2183	6670	12445	189285	185495
PC (40:5) B	496	3563	616	5014	7959	2953	15767	2578	2752	7535	4443	2329	769	2132	3895	94277	92563
PC (40:6) B	1055	10810	604	16427	25530	8474	54326	5422	12150	20539	15013	7148	1361	11881	20170	581529	573337
PC (40:7)	797	11060	540	19991	12088	9500	27450	7572	14950	16527	13844	7096	832	7599	7649	152491	151856
PC (40:8)	359	4327	282	20225	5691	5984	19683	3991	7132	13005	7243	2474	390	3354	2825	23294	21861
PC (o-32:0)	2111	41158	1515	126138	46419	48454	142351	53591	67298	87605	50414	19444	2994	29124	14843	53464	49508
PC (o-34:0)	1036	8539	462	26851	10888	12969	30940	10590	17121	16701	15626	4093	981	8952	3489	8381	8281
PC (p-32:0) or PC (o-32:1)	4284	78531	2188	256510	76532	62368	254103	71402	84309	153266	93447	39324	3856	40944	23820	63532	63500
PC (p-34:0) or PC (o-34:1)	2275	25323	1146	78653	31321	30691	69256	29724	43424	37008	39887	15810	2402	23201	12415	83571	86315
PC (p-34:1) or PC (o-34:2) A	940	6389	690	16131	9689	7242	26422	6968	7762	12740	9732	4644	1224	6874	4108	172078	164556
PC (p-34:1) or PC (o-34:2) B	1499	3922	809	7374	20850	18666	49503	2579	5363	5004	3487	9573	2296	5396	2311	75020	75156
PC (p-34:2) or PC (o-34:3)	2223	16611	599	87298	15650	11803	55468	20998	18988	34626	43656	6878	2191	8468	7764	320171	312501
PC (p-36:3) or PC (o-36:4)	1089	9234	506	21424	18735	9754	89855	9342	12666	18574	14627	10576	1423	17230	9235	456590	451159
PC (p-36:4) or PC (o-36:5)	1635	10576	830	23532	23783	10817	88740	10877	11109	19628	20694	16623	1732	25428	13451	403114	398709
PC (p-38:3) or PC (o-38:4)	739	3371	565	7137	7995	4598	37280	3171	4003	7914	7376	3307	1050	7619	4226	179892	175129
PC (p-38:4) or PC (o-38:5) A	818	7172	416	31089	18994	8795	79963	7820	11232	17297	18725	9673	1100	16828	9893	378566	367124
PC (p-40:6) or PC (o-40:7) A	498	2090	342	6181	3424	2105	8685	1306	1897	4226	3147	826	411	2008	1458	31848	32421
PC (p-40:7) or PC (o-40:8)	468	4051	462	11548	4919	4838	19078	4345	7102	11685	5786	2948	581	3063	2487	8326	8374
PE (34:2)	1764	16355	1014	47627	18045	18097	41619	20284	29149	31524	20761	10953	1770	13782	8105	17160	17440
PE (36:1)	1005	11036	684	22389	9394	7982	24858	10161	11291	13920	11600	5961	1320	8925	3889	4879	4943
PE (p-36:2) or PE (o-36:3)	839	3730	772	8802	3951	2100	11759	3311	3688	7107	4706	1882	1016	3083	1820	14718	15142
PE (p-36:4) or PE (o-36:5)	1783	10490	1060	22047	14298	8956	34126	12610	12175	19519	17074	11923	3078	14713	6112	45400	48336
PE (p-38:4) or PE (o-38:5)	1541	7584	1212	14502	10412	6640	35279	6859	8327	13535	11257	6865	1987	9168	3714	51690	52410
PE (p-38:5) or PE (o-38:6)	972	6190	665	8611	8249	5052	11810	6348	6249	6660	7874	6780	1239	6659	3669	38693	40687
SM (d32:1)	603	4185	317	7218	10459	3023	20206	4152	3226	5474	7173	2124	611	3482	4649	138740	136563
SM (d33:1)	493	2295	450	3850	5135	2044	13502	2814	2288	3277	3820	1586	495	2631	2545	85916	85022
SM (d34:0)	1057	2359	509	5050	8187	2249	11480	3282	1869	4304	7034	3900	1599	6387	4358	84057	81326
SM (d34:1)	7981	56088	4617	147156	195598	54126	422144	79615	54457	115647	149704	60114	11445	115688	76512	3135231	3111203
SM (d34:1)	4592	51234	3958	138774	6288	49548	6233	28835	51396	4635	22176	23768	7125	107656	78110	2700343	2736526
SM (d34:2)	796	6140	652	14545	23953	5210	40127	6744	5725	11080	14983	3588	1119	9861	11424	420157	415244
SM (d36:1)	1751	9312	1197	15346	23109	5909	41259	13682	8107	14280	16482	8630	2540	17071	15170	428274	418167
SM (d38:1)	728	7287	592	13950	15740	4416	39346	11272	5380	11795	12644	4758	1214	9334	8410	247385	243578
SM (d40:1)	1279	15160	644	25893	38024	11434	75042	20609	10628	29109	29065	10589	1839	21559	20453	599701	599729
SM (d41:1)	543	3070	297	5540	9729	2844	22512	4925	2713	6627	6377	2901	563	6772	6098	193968	191433
SM (d42:1)	1321	24327	1218	41834	35068	20564	75073	31368	15010	41652	33304	16560	1959	19594	19085	402967	395922
SM (d42:2)	1898	22615	849	49016	44253	18589	99964	36702	15876	35534	44910	24266	2511	31342	28696	833679	831209
SM (d42:3)	1102	6384	500	12654	25449	5596	65004	11429	2837	17242	21942	5125	1326	11770	12457	537362	534622
TG (52:1)	10840	9264	12053	10608	10772	9228	15286	446306	9136	12798	15199	10832	11453	14171	22352	685513	699992
TG (52:2)	15369	17247	16010	15743	38645	11201	114952	173040	13230	31406	68459	21753	24066	48039	113075	3389883	3510578
TG (52:3)	10437	13606	10976	13717	80264	11360	282550	80674	9773	36492	168739	12324	13280	67367	208883	4806249	4893473
TG (52:4)	4195	4891	4032	4895	35712	4899	112210	24494	4055	14507	76950	4171	4777	20106	80285	2797917	2849563
TG (56:7)	383	424	316	454	2821	417	6981	415	362	885	3171	497	563	1423	4057	60110	60184
CSH_posESI #134	3255	4303	2877	3562	14263	3578	29675	21127	3270	10293	30122	3895	4428	14568	28982	60560	60825
CSH_posESI #141	3437	2806	3516	3048	3479	2834	4294	64548	2991	4024	4508	3207	3450	3958	6092	47758	45690
CSH_posESI #155	753	5115	627	12550	8037	5861	11848	5178	5615	9422	9179	2790	677	4688	2755	20128	18863
CSH_posESI #201	4977	4009	8090	4926	47007	3962	93900	1608	1266	5404	15309	1739	2074	15685	30034	500265	500388
CSH_posESI #211	2052	1876	2190	2030	11654	1973	26325	9954	1642	6010	23573	1810	2509	8228	22945	82666	78551
CSH_posESI #230	568	7538	288	7715	5258	8460	7103	8005	6629	7711	6068	4520	855	8276	4681	9633	12640
CSH_posESI #231	631	6111	337	7585	9291	7837	7288	6932	6261	9295	9018	4016	520	6798	5730	14302	12316
CSH_posESI #232	237	2348	227	2925	2489	2026	2709	2237	2287	2777	2818	1050	307	1278	443	7253	6641
CSH_posESI #270	745	5455	313	19296	8821	5428	38395	5909	9278	12118	8787	5908	764	5307	4197	71878	109685
CSH_posESI #275	856	4638	245	13679	6620	4237	25023	4828	7182	7970	6451	4145	968	5454	3374	46066	68916
CSH_posESI #285	390	3105	245	7538	5432	3604	7500	3216	2852	5769	6259	2060	550	2821	2510	18761	18134
CSH_posESI #286	167	1098	171	4582	2379	1804	3907	1713	1675	3571	2738	372	159	1146	730	17945	17914
CSH_posESI #288	7237	106593	2204	211048	107942	68376	182774	93346	128171	101304	91870	61503	5093	116720	41835	24873	25832
CSH_posESI #290	343	2478	282	6981	4009	2729	6721	2779	2603	4823	4850	1075	373	2046	1833	16803	16039
CSH_posESI #296	1091	22070	719	97118	23757	21325	61888	23324	29571	25626	32798	16628	1208	27419	13363	21197	22460
CSH_posESI #296	2117	67234	1007	298905	61912	100816	202629	100487	103712	123962	143849	41154	2282	42264	25962	19861	21115
CSH_posESI #301	1497	9646	567	7128	9847	9260	7057	10428	8839	9405	10963	6972	1324	9173	5305	16900	15564
5.55_737.82	937	9473	306	17223	10348	10442	15728	10970	11387	2247	9353	2673	708	7827	3703	479	548
5.53_734.80	522	615287	1924	914950	578247	597424	889381	683157	744687	762302	636861	457958	684	489632	313983	1828	1976
5.35_741.54	787	8022	617	19947	6286	6072	16425	7095	10792	9778	6376	4199	681	4641	3376	1305	1384
5.11_760.81	600	16284	262	44279	20142	16244	40192	15642	22129	27768	21223	5974	655	10912	7846	73488	72648
5.11_758.81	2519	0	683	426058	183355	131912	369037	143146	0	267597	162618	0	2289	1922	1694	616672	359285
5.00_779.54	334	2966	192	4564	3773	1674	6777	2303	3666	4121	3486	1644	237	1393	1026	2143	2154
5.17_799.55	1424	3998	675	12095	4680	5224	15061	5396	7227	10438	6693	3333	935	2607	2730	1981	1860
4.87_809.59	539	6590	304	17950	8972	8897	27385	5233	7848	16369	16771	3212	764	5390	6580	91852	91774
5.60_1150.35	191	2897	156	4641	2455	2810	4142	3206	3627	3796	3600	1164	136	1607	627	651	880
5.60_1149.35	157	2719	180	4444	2442	2609	4023	2948	3235	3604	3278	988	200	1811	679	1102	1039
5.51_745.57	760	9517	581	12209	9030	9256	16022	7686	10867	9843	9382	8282	811	6913	5296	78309	69935
4.86_339.29	1024	10575	473	25820	10432	9497	19066	12650	13230	10965	11498	8215	871	8627	4014	392	541
4.77_339.29	1024	11038	468	27967	8639	8588	21296	14142	17195	11380	10900	8699	699	8826	4332	362	398
5.56_746.06	418	7908	225	8135	8573	8905	8577	9796	9217	9304	9255	7178	448	7765	5035	518	884
0.53_226.95	7624	20278	14413	372	8610	19122	22369	22910	21524	22896	19266	333	13825	389	187	862	718
0.54_140.07	6035	9859	8010	3764	6631	7766	27016	12279	9779	15825	10312	1928	6628	2150	1830	15984	16752
0.54_214.14	2006	5783	2429	991	4609	8461	19284	6606	5697	8291	6796	503	2452	1573	925	558	552
0.55_212.12	4477	5843	2928	13550	10337	13735	14708	9805	6352	8455	10777	12859	5952	5070	5903	348	415
0.55_248.16	4287	27296	2277	26141	171948	30144	479390	35651	23724	369109	60357	12944	2501	283140	76953	947	1026
0.55_257.16	476807	830655	620309	161402	479600	835503	247412	831335	845838	326725	692561	177030	594211	22689	24349	2702	3400
0.55_273.14	7234	14390	13162	9440	13734	13041	23583	22965	15185	9466	15105	4022	9494	1573	1899	2043	1478
0.55_491.34	318611	635014	497988	104011	331882	639706	104256	637734	678292	146790	543489	116665	428702	6198	10556	434	410
0.56_198.13	4624	3701	3225	2579	13062	2074	52145	1425	2696	55937	13246	2008	2829	79470	114867	791	1178
0.56_315.12	2137	4457	2606	497	2697	6192	748	5857	3935	552	2759	546	3223	366	303	1213	1429
0.56_482.34	1951	12795	1187	11574	78729	13032	101295	17044	11446	50204	29198	5252	1134	63789	24152	224	253
0.56_507.32	2711	3371	3165	1295	2765	4213	2454	5277	2948	1373	2620	717	2831	400	614	306	304
0.57_251.18	13978	11960	12145	46668	8364	12031	8411	11621	9303	6035	7513	26584	11012	6318	9939	3881	3660
0.57_295.15	2867	2173	2985	1227	2280	2248	6973	1639	2417	6311	4092	1313	2560	13373	7854	827	677
0.57_441.25	6916	15257	9665	1452	6915	12034	27747	11433	14513	22999	17359	879	7374	5098	5036	300	392
0.58_235.18	11500000	7980180	9792423	15500000	11600000	9878197	2963063	9500129	7903851	2493036	8703891	17900000	10900000	3799047	6852555	68144	104281
0.58_235.32	825509	558027	686249	1128139	820850	693344	216649	664053	561981	178155	603784	1337278	769941	279938	531351	2683	1930
0.58_785.47	1880	5042	2143	476	2148	3922	9423	3230	5877	7813	4879	600	2052	858	2248	218	199
0.59_351.20	10008	2168	2213	5574	7200	3259	3206	10683	2115	3161	2402	2875	2107	10129	14554	635	469
0.60_309.17	5081	6794	7984	547	4231	8178	9322	5880	6626	9125	7480	303	6069	3680	3802	763	537
0.60_337.20	6084	7999	8096	2585	4526	9742	12722	5339	8075	12346	10193	1341	6812	5944	6419	423	456
0.61_229.14	1821	3044	7423	988	4055	968	77797	3193	5074	17747	10280	559	1799	5618	3903	3193	4014
0.61_367.21	5087	5135	5022	3403	2740	4803	6117	3727	4493	7334	5059	1686	4099	8538	8099	554	446
0.61_396.26	3324	4488	2187	4184	2722	8331	3034	6226	4896	2714	2881	3686	4224	1491	1406	1300	1234
0.61_423.24	4786	13725	13663	3459	3307	10087	7126	5534	11463	19449	11810	1131	8479	6065	6454	493	565
0.61_453.28	3176	3947	4079	1167	2845	4679	6526	2997	4478	5469	4789	662	3706	2752	3708	162	243
0.63_459.21	3335	5654	4868	1705	2168	3742	4844	2157	4647	9275	4761	1231	3819	3053	5996	376	361
0.65_341.16	1781	3306	1731	1091	2521	2881	6321	1675	1941	6911	4053	646	2368	5128	5386	1251	903
0.65_767.46	1772	4324	2107	1539	1078	2616	4747	1442	4614	8278	3324	1018	2226	1953	6016	106	252
0.66_393.23	4430	6809	6213	1952	3721	7241	8512	5121	5525	7934	7723	1602	5491	2745	4252	526	593
0.67_319.19	3239	7140	8146	1881	1987	6007	6232	3234	4799	10302	6814	1145	6310	4854	4194	742	591
0.67_427.27	8475	6349	5989	3470	4349	5650	9193	3156	5551	12209	8259	2110	4744	3517	13902	476	203
0.68_351.21	11686	16681	13703	5986	7121	17501	20874	10233	13143	22973	17776	3856	12259	10377	15295	635	786
0.68_537.34	2671	4457	1992	2279	1315	4381	6340	3051	4284	6376	4343	1670	2163	2936	4658	698	825
0.68_762.50	2588	1849	2373	3495	2323	2547	2720	1352	1682	2364	2534	2747	2637	2803	7016	244	218
0.69_326.09	6598	14415	1619	23248	6800	12218	16626	26340	36679	31680	16546	14660	2111	12614	2805	79	120
0.69_328.08	2182	5111	583	8292	2133	4648	6716	9420	12305	10746	6707	5409	1132	3767	1359	107	165
0.70_311.22	6538	3629	5125	4632	4408	3552	5557	1990	2701	4882	5221	3306	4956	8092	13482	509	602
0.70_405.28	7590	3239	5260	2532	3680	2932	3653	2092	1554	4288	5575	1987	4450	4451	10769	272	282
0.71_409.16	3719	4173	4942	822	1335	2983	4010	5818	2969	8009	6479	520	3803	1236	1495	631	190
0.76_610.43	240	232	3817	327	6543	5169	1029	5316	145	178	6189	11721	4624	142	1197	82	111
0.78_744.49	4658	3390	4832	5375	3283	3563	3209	1575	2292	3735	5069	2981	4900	2817	7877	152	182
0.79_286.14	710	550	639	2930	953	475	11094	2275	903	1201	1039	2089	548	2997	1746	12025	12064
0.80_437.19	6158	12489	1830	3564	2066	5679	3310	2093	8532	11700	3209	1208	1905	3014	1628	719	495
0.82_328.25	3846	2862	3311	4360	2507	1920	2241	1476	2101	3125	2775	3346	3033	3451	4707	595	475
0.84_404.30	11524	3732	16214	1586	1417	3378	675	641	1504	1371	2417	670	12279	658	7504	372	453
0.87_1090.60	2032	7424	4200	2948	4631	8134	6743	6305	6812	6008	5722	2883	1202	5178	2591	72	62
0.98_993.55	542	4699	1528	1275	3760	5183	2831	4095	4503	3135	3271	1475	266	2325	1390	97	158
0.99_295.23	2310	2300	2371	5337	2679	2263	3178	2105	2074	3654	3559	3819	2743	3831	4282	4277	3927
0.99_330.26	6867	9013	5963	17176	6828	8224	9324	6145	6828	11770	11338	11750	7988	12609	15674	14547	15263
0.99_354.29	3229	3459	7706	2518	1687	3763	2830	2332	1618	2845	2007	2520	4439	2837	3544	498	503
0.99_357.27	1320	1084	1349	3239	1425	1020	1691	712	961	1427	2050	2732	1688	3131	3752	2957	3648
1.02_253.26	856	1332	2934	6437	2713	3459	4152	3956	4912	8029	5579	4442	2833	3145	4461	319	237
1.02_726.48	2071	2394	1573	2522	2008	2478	2720	702	704	2023	3511	334	1665	1007	4929	178	143
1.06_304.30	10306	5120	3143	12199	3070	2785	3373	11471	2605	2965	10339	2862	543657	10826	2992	3464	3269
1.07_129.05	768	869	3783	3821	1944	1668	4017	3149	1586	3827	3336	284	4119	4273	5584	252	309
1.07_149.02	6502	6539	8642	5941	4690	5049	2740	2522	3258	3826	5498	4371	5512	4717	6420	37894	38765
1.07_167.03	6298	6676	8495	4788	4145	4752	2521	2393	3535	3758	5482	3998	6014	4630	6478	34602	36867
1.07_279.16	6655	6944	8893	5863	4308	5007	3001	2867	3117	3811	5677	3897	5843	4732	6658	37815	39767
1.51_332.33	9148	11178	7218	13303	7338	11174	7945	9373	6312	7188	6990	6142	129109	8763	11825	6286	5989
1.76_298.35	76057	4538	949	1335	2116	1271	6998	3110	2303	35766	10519	911	587	2402	809	1373	1528
1.78_326.38	7353	4872	5744	27626	3005	26896	15023	11999	53027	2570	6338	3447	4467	6278	3557	1604	1108
1.95_235.18	48649	77479	7253	70648	8665	120160	2101	17409	83932	2838	6828	147329	54369	2453	1727	454	1609
2.99_235.18	40869	60590	34742	30188	36262	97268	8422	102583	65564	5075	20459	119980	42086	4014	4245	306	2160
3.11_235.18	44598	70177	38864	63383	40711	110049	8132	115005	74117	8858	42397	134188	48512	6121	7126	318	3899
3.31_235.18	44052	67627	36512	53985	38506	105191	7965	111223	65388	6610	40159	130982	47945	3810	6900	435	1302
3.40_659.48	17715	21318	19476	15997	18206	11065	10118	12296	21589	12419	17709	32215	27287	18258	26631	12527	13776
3.48_763.61	3113	4825	2094	44070	5504	9355	9606	62030	35652	29804	30314	2821	2538	52362	15078	206	218
3.65_235.18	31268	49246	27277	44201	27728	75574	3748	77610	52605	6602	13654	91187	16943	3399	3785	308	1801
3.82_235.18	8385	43048	23737	39706	8971	66622	2471	70676	47622	2516	26262	81917	31204	2175	2801	417	1834
4.29_573.49	823	2580	488	8717	3338	4064	8719	3214	4266	6636	4320	1796	765	1604	1061	424	396
4.29_623.50	381	2866	239	6640	2670	2311	7126	2155	3987	4700	2472	2354	349	2159	1571	1100	1182
4.38_235.18	22272	32980	6041	29631	19206	52190	2708	14103	35509	2709	9586	62576	23965	1979	2399	649	2054
4.46_523.47	457	3714	311	5770	3118	3416	5048	3709	4448	5457	3247	2099	388	1198	1436	454	358
4.54_549.49	968	15258	316	27923	9713	12745	14392	19922	25093	11122	8048	6970	606	4234	2663	438	406
4.56_601.52	448	2474	311	23642	4179	4793	11445	3446	4479	6319	6536	1896	596	2794	1612	2426	2202
4.58_599.50	606	6373	212	15834	6414	7080	25310	7476	12659	12247	6403	4712	589	2579	3002	743	778
4.64_625.52	340	4416	274	14990	3648	5544	16513	4503	6876	8396	6570	3146	489	1861	2057	1484	989
4.67_575.50	1423	13853	393	86195	18997	28320	65181	24692	29839	52654	38141	10150	1344	8180	6297	467	0
4.73_601.52	728	6034	423	83478	11029	20002	40849	12290	12938	30816	29436	4643	1005	5948	3695	1698	1551
4.86_713.51	479	3389	327	7294	3732	2714	4464	4205	3647	4043	2471	2349	371	2051	1068	835	755
4.87_551.50	809	4044	431	11674	6462	3365	8084	3905	5700	5464	4645	3841	616	7954	2500	2080	1591
4.87_601.52	957	2926	480	12641	4984	6634	12029	5205	5507	11001	8470	3776	1063	3615	2189	552	709
4.88_184.07	2103	28041	542	36398	21406	23772	35028	22843	25541	28231	23008	12386	1256	9697	9054	34464	35282
4.88_718.03	161	6678	208	7576	4180	4959	6603	5117	6066	5797	4210	1552	213	557	1073	453	660
4.88_744.51	857	18531	468	22545	14295	14733	19157	16431	16647	16781	14682	6778	0	4808	3901	0	0
4.88_786.49	784	13430	370	13385	10462	11789	13563	12541	13219	13604	11459	5621	943	3092	3416	0	0
4.88_788.48	489	6853	241	6439	5717	5886	6133	6523	6578	6598	5596	2952	522	2021	1863	0	0
4.88_1081.28	181	6155	121	6311	2305	3304	5947	3640	4439	5096	2977	687	135	318	531	328	174
4.88_1081.79	239	7764	185	7932	3236	4245	7489	4658	5996	6755	3933	1070	221	504	461	417	401
4.89_706.77	1471	348593	1266	405938	231134	273071	374296	275038	318460	339030	254848	120043	1410	1026	940	3078	926
4.89_708.88	598	12617	284	15225	8335	9491	9680	8813	10446	9482	6866	2815	585	2488	2524	415	482
4.90_739.53	1192	12386	862	33530	11765	10379	16453	13549	11763	16693	12615	8431	1226	7762	4032	3656	3425
4.91_337.27	1088	4063	399	27878	9302	9200	18477	9332	9430	16491	11440	3723	839	5525	4188	336	301
4.91_589.52	604	2741	368	6820	2523	3761	7312	4198	4875	4517	4587	2145	515	1886	1457	313	270
4.92_235.18	4128	19572	4038	14901	5077	31989	2719	32176	21368	2510	4775	44693	4102	1403	1680	408	2437
4.99_732.79	2214	152467	643	297039	2047	121350	170726	185002	243201	122990	2148	0	1828	1544	1557	1914	2135
5.00_736.57	575	3814	382	11173	4848	5807	6284	8196	7687	3482	3345	3977	494	3491	2602	1659	1432
5.01_770.52	480	9685	321	12774	8533	8070	12718	11711	13684	9272	8042	5702	376	4353	2156	0	0
5.01_780.05	119	2709	91	3824	3503	2246	6625	2361	3638	3503	2954	1470	181	1163	870	2297	2377
5.01_820.53	371	2245	201	3006	3996	2113	5951	2060	2540	3071	2826	1669	249	1477	1472	16946	17315
5.05_551.50	2835	31141	723	141397	36880	43124	108168	56575	77681	71338	45501	23594	2111	24974	16627	524	513
5.07_767.55	1005	5867	464	45048	18032	9065	10595	24443	10230	10144	23637	3767	1030	11202	7863	5933	8955
5.08_768.04	227	4467	181	6602	6026	5036	4933	5003	6425	5569	5877	2609	200	2748	1880	1596	1953
5.08_781.56	4148	104046	858	96866	135861	122351	97492	120250	100949	5976	96563	62037	5737	111348	89179	162569	164151
5.10_760.92	446	4977	210	18916	5147	7019	15960	6564	7496	12324	9530	2667	379	4065	2450	29170	29369
5.12_577.52	8027	242412	1986	511866	178192	221672	489675	285670	344518	345012	263753	121334	6295	108042	75224	741	1016
5.12_793.53	784	5920	412	4117	4721	4953	4583	6624	5665	5196	5108	4068	588	3389	2742	0	0
5.17_627.54	738	5769	254	19415	6949	7875	30402	7465	11303	18462	8456	4741	537	2583	2518	2426	1178
5.19_819.53	358	2707	216	4871	2740	3528	4191	3862	3325	3586	4242	1954	361	2450	1509	0	0
5.27_692.56	766	7269	527	10826	4890	6651	13378	5318	6810	10494	6089	1971	0	2524	1799	3962	3432
5.34_799.55	713	7189	357	16527	5839	5836	8400	7256	10514	9467	6581	3667	630	4144	3420	0	1305
5.35_339.29	981	19261	519	50460	14632	15273	44052	19821	29491	24349	16758	9465	1257	11638	8582	203	451
5.37_235.18	3641	24471	3064	20368	4935	36248	4978	12207	25968	2048	14462	45326	4305	1950	1699	449	2275
5.44_591.54	638	5038	312	12024	4288	4914	14601	5730	8697	8517	6839	3281	550	2535	1859	407	265
5.48_579.54	3968	8178	1079	7248	3187	2397	6224	2411	3365	3399	3044	6126	6479	4183	10567	598	3904
5.52_747.07	275	2692	111	3203	2739	4480	4621	3602	3801	3967	4302	2087	219	2098	1405	475	281
5.53_736.92	1392	26719	402	43046	25658	26778	38856	30091	33043	34517	27928	19066	785	18642	12232	732	745
5.54_125.00	761	3422	238	5510	3827	3313	4690	3736	4415	4734	4291	2713	549	2930	1980	1396	1124
5.54_184.07	4546	39886	1460	62146	40597	38825	56403	41725	48248	49747	41815	30237	4191	32646	21557	18746	19989
5.54_737.08	397	509	313	19395	444	8409	13052	4855	4104	5534	8482	7337	474	7222	3083	340	421
5.54_739.59	690	3921	744	5607	4121	4029	5272	4274	4838	4648	3773	2984	620	3075	2125	600	623
5.54_744.72	280	1667	210	5392	2729	2095	5375	3563	4961	3646	1980	2383	343	1906	1279	0	0
5.54_746.31	286	1878	210	5376	3287	3243	4535	3469	2324	3453	1873	1455	261	1507	969	358	359
5.54_754.04	313	3048	206	4267	3176	3547	3595	4203	3651	3824	3081	2279	306	2501	1572	807	567
5.55_605.55	3280	43874	1333	87357	40406	30400	80090	32943	39734	50754	45018	22282	3430	43977	15821	6744	7461
5.55_814.51	2521	12420	746	6315	13526	12822	6790	9988	8721	9205	12106	14441	1992	13657	12308	0	1747
5.55_1123.33	204	7358	165	7792	7314	8130	7874	9244	9525	9326	7855	4673	255	4918	2149	193	300
5.55_1123.83	131	10284	208	10341	9827	10046	10420	12882	12963	12087	10681	6471	206	6287	2566	300	227
5.55_1152.81	292	2550	0	1784	2247	2521	2149	2861	2637	2628	2644	1632	259	2121	851	380	261
5.55_1153.31	261	2264	202	2327	2086	2155	2237	2503	2354	2313	2102	1584	151	1528	972	223	288
5.56_772.53	1597	16414	435	11952	15853	15402	12739	16799	15139	14765	15184	15961	1465	16364	13150	0	0
5.56_818.52	725	2480	345	2533	2557	2605	2330	2965	2466	2294	2561	2986	601	2610	2847	0	0
5.58_1136.34	237	3949	125	5374	3298	3732	5160	4151	4889	4763	4157	2332	188	2115	914	321	287
5.58_1136.84	270	5015	235	7057	3980	4838	6892	5752	6263	6620	5833	2434	242	2885	1329	282	272
5.59_759.07	457	2945	181	3958	2963	2850	3959	3163	3356	3606	3649	2371	328	2540	1402	836	783
5.60_235.18	15187	7648	14380	7134	6767	10566	1541	17476	12174	1778	4700	24722	16245	2629	1803	387	2220
5.60_770.06	425	10684	176	8901	10344	10721	6714	11644	7660	11260	10721	7942	799	8266	4667	3330	2914
5.60_772.08	178	2507	259	3350	3028	2723	4156	2783	2972	3249	3069	1831	216	2046	939	5209	4266
5.60_840.53	882	8762	440	6423	7953	8624	7143	8922	8430	8974	9959	5776	967	7360	4178	14196	13442
5.60_1149.85	153	3508	160	5953	3258	3595	5847	4261	5415	4965	5002	1699	180	2200	729	1264	1295
5.61_760.82	2070	193690	2227	310374	156540	179860	282014	178982	217391	218069	218097	1149	2391	140923	1183	283835	282273
5.61_762.94	523	7456	397	12949	6664	6292	12187	7330	8483	9088	8573	4650	490	5718	3092	12089	11976
5.67_579.75	158745	121192	127700	150833	106105	127835	125583	1560	120122	156246	130991	124494	143585	156440	125623	1449	1801
5.71_538.52	3232	4432	3405	7143	10245	4355	6458	7054	4811	6981	12791	8030	4170	10837	5172	3373	2826
5.75_605.55	4512	106097	1460	288973	85185	110734	312101	131109	133808	241522	143487	50079	5759	48532	32535	620	948
5.87_235.18	15882	11043	6186	9445	12307	33504	5423	13625	23958	2006	7036	42556	16803	2236	2170	314	2784
5.90_745.57	996	8831	523	21760	8648	6677	12683	7211	9825	5522	9009	4031	997	5569	4445	39210	38839
6.23_184.07	541	2138	363	7866	2388	3269	8839	2104	1958	5675	5257	1539	447	1541	932	9039	9145
6.27_522.60	958	2484	1629	1463	7640	2529	6448	2636	1836	7075	25953	8457	1514	1839	7119	1496	1366
7.67_734.57	548	5542	1063	14335	5373	4472	12538	6056	8058	8752	6510	2318	1054	2030	3373	653	805
8.30_647.56	2244	2269	2178	59046	2290	2291	2431	2143	60709	31456	2650	2195	2058	19923	2276	71855	88857
10.33_369.35	646	714	661	896	7305	693	15025	600	608	1028	1857	924	717	2247	4199	148930	153027
10.33_711.55	624	1138	445	1447	19648	1153	21370	860	732	3710	8219	976	937	9362	12517	8781	8463
10.57_687.55	1183	2491	1055	3481	16358	2858	14382	2106	1987	10286	15706	2424	2197	16562	15021	12145	11461
11.06_369.35	476	1537	978	2063	24150	1299	52445	1075	1179	3451	10150	1187	1257	9666	18304	415411	425009
4.90_775.55_4.90_797.52	2032	15980	786	33113	17121	16596	24731	18189	18329	23129	19440	11380	1725	10826	7383	2123	2116
6.02_734.57	2489	30348	1214	75302	26382	29025	67053	24929	45056	43441	30945	18697	2881	20409	13492	1936	2216
6.01_736.56	1197	4514	670	8413	3285	5278	8654	4512	6081	6023	4415	3620	3852	3256	3838	1226	883
4.58_692.52	1811	35924	305	38070	23004	24625	44807	23368	34873	26967	20770	9464	1086	4403	5977	1724	1277
5.10_720.56	3590	143926	4624	869766	89760	70123	129966	94195	175087	89030	62627	236991	14584	23173	16420	11747	2314
4.68_718.54	920	21727	380	41448	14153	18981	30047	20958	36486	14575	16046	9186	691	5348	4480	2082	2178
4.78_730.54	860	20247	658	81206	23099	25982	57525	26279	38368	38636	34151	14806	809	10218	8678	2415	2551
5.87_748.59	9865	160421	2890	523260	150842	163637	617002	164923	304737	297628	236457	90713	7991	83681	49114	6772	7421
4.64_758.56	649	7533	469	27851	10786	9092	34011	4873	10663	9789	12232	3586	934	4643	3629	9100	10820
4.58_756.55	3409	37844	775	312928	43595	71881	129936	75408	76649	65075	81147	19002	4010	24280	28079	117191	116410
4.78_756.55	3306	74214	512	513137	96807	150692	357158	129406	108418	287469	265462	34908	6598	49000	40211	89457	92669
6.43_776.62	829	7625	626	11603	5434	5036	21293	5127	10217	10192	9053	2813	889	2580	1714	2150	2372
6.14_812.62	625	3588	514	5827	6904	3341	12542	3071	2322	5934	6298	1953	775	3697	5160	41176	42792
5.33_810.60	969	12188	521	45301	18977	17546	59970	12025	15428	27039	35057	7870	1343	12535	11573	154088	153446
5.46_810.60	1086	11817	403	20689	21640	10246	50644	10158	11507	17132	18324	8009	976	8609	10245	241425	239569
4.35_854.57	280	1829	239	3786	1966	1767	7546	1375	2699	3485	2441	1766	354	967	1205	5914	6042
5.66_746.57	2507	35110	882	16188	28245	16586	37815	25198	50320	22560	11081	12801	1325	7338	5447	6366	4987
5.87_744.56	1759	23713	954	40883	14835	16582	47411	15719	27931	25411	23750	9748	1772	14564	5991	77851	78062
4.54_738.53	593	2923	213	5252	1768	2574	2993	3718	4797	2200	2323	1471	365	1199	771	841	841
5.56_758.56	3916	24675	1233	35419	39774	37510	36594	32341	35403	36969	36673	15057	3741	11296	30916	42759	49752
5.72_756.55	5386	37494	7764	48893	28456	35048	38590	39406	46538	35887	30748	29489	5183	30007	22132	1616	2340
5.23_766.55	1799	8796	830	19644	8679	10505	38815	45679	16749	16234	13821	5841	1803	5136	14245	425455	403987
6.89_790.63	949	8301	872	23562	7644	9626	38367	6667	6548	20581	22923	3401	1259	4545	2473	1308	3555
6.38_784.58	949	7621	813	21777	6728	8742	22271	5627	8603	14827	14468	4382	1251	5582	3194	4545	4618
5.72_782.57	5884	54101	8725	55548	41262	50236	61171	241612	60552	45886	58286	39854	34436	31263	117377	251264	245168
4.73_778.54	478	3724	304	46306	7865	9593	35924	8452	10064	20244	19738	1402	561	2283	2064	13656	13303
4.58_788.54	292	3923	292	9549	3612	4338	15210	3760	7124	7097	4155	2614	357	1990	1825	867	807
6.37_810.60	1719	16214	689	55552	15068	14351	79667	9647	15301	31935	24427	8122	1914	12972	6743	151769	143138
4.64_814.56	407	2920	264	11943	2787	3776	12306	3299	5103	6196	5055	2673	344	1742	1395	975	1182
5.17_690.54	517	8490	267	10627	6301	5410	10891	5889	5986	9262	6809	2491	552	2270	1892	2776	2589
6.72_774.64	468	1663	317	4506	2105	2841	7883	2659	3061	3891	3482	1173	485	2072	1273	11376	12018
6.18_772.62	798	3285	548	15844	6984	6550	25151	5422	6730	11531	9117	1569	524	3755	1749	56399	54362
6.07_770.60	640	2111	378	6032	4906	2151	11537	1553	2386	2620	4015	1297	635	2421	1302	48505	47604
4.87_764.58	307	5414	429	5782	4072	4654	7243	4212	5348	5394	4542	2037	423	1652	1579	14061	13966
5.59_700.53	575	2419	536	5846	3217	1840	6316	2672	3122	5006	2947	1659	645	2511	1518	10825	10956
6.26_754.57	547	1785	295	3490	2142	1292	9375	1463	2985	4031	2485	1171	504	1328	917	5597	5847
5.69_790.56	1807	17476	1573	32158	17889	15902	34417	21195	15242	20659	23834	9978	4508	15746	5258	3574	3236
5.19_788.55	1029	10252	497	32962	14967	14926	38013	16277	14676	28686	13874	4312	949	6962	3563	58008	56657
4.88_796.51	769	15651	296	14238	12785	13844	14046	14518	13835	15894	13505	5943	482	3690	3789	0	0
5.10_812.54	536	8122	340	11906	9409	8470	28134	7469	10691	17756	13020	4224	710	4852	3206	1520	0
5.55_824.54	2525	15071	729	8143	16102	15614	9264	14495	12443	13200	11935	16611	2128	17144	15616	2884	2714
5.00_822.52	290	9143	210	10622	7270	8420	8019	10588	12060	7924	7032	5716	358	4086	2356	4891	4652
5.18_822.54	393	3841	270	8764	5639	5322	7929	5063	5848	7360	7468	3182	306	2784	2076	14892	13905
4.93_836.55	924	1700	846	2326	3745	1803	4288	2480	1936	4110	3838	2989	1382	3453	2348	852	0
6.21_852.57	295	2570	253	10781	2742	2965	12691	2191	2780	7340	6541	1206	429	1380	596	1370	1049
5.11_796.53	641	10466	336	11867	13816	11946	11384	11428	9998	13258	12663	6789	839	11260	8575	16780	17381
5.18_797.53	2224	13345	1536	35915	13036	18739	28156	18364	18572	21733	25870	8934	1660	8735	5754	8584	8820
5.19_792.58	1057	22747	636	95372	21237	31526	67674	32815	34022	41246	46485	14320	1332	14801	9410	46138	46028
4.86_804.55	441	4508	229	25777	3946	5476	11990	4786	5845	6415	9759	2759	507	982	1824	13615	12993
4.85_782.57	1554	23944	787	302869	37619	42799	228644	28719	30177	140684	83678	9279	1319	33037	13320	416695	689602
4.73_795.52	202	1542	214	18113	2531	4365	8820	2776	2841	6274	6680	1005	310	1427	1053	568	314
4.73_773.53	321	2245	223	23426	3442	5579	11223	3979	3644	9071	8658	1490	456	1967	1409	626	723
5.19_775.55	763	10584	491	41221	9346	15507	30442	14501	15625	18515	20548	6289	729	6510	4200	1347	1192
0.76_344.24	30393	14568	12919	23449	15159	11504	18617	7358	9477	16280	19228	17672	22037	27352	40715	2108	2183
0.77_327.22	9991	5163	7251	7211	4390	3777	6036	2410	2662	5692	6498	5475	6730	7077	12603	536	453
4.73_790.56	488	2873	654	42900	5996	10470	21773	6460	6759	16374	15428	3180	509	3135	2326	3911	3970
4.67_769.50	493	2432	304	16120	3404	5213	12618	4538	5620	9784	7077	2409	274	2048	1437	0	0
4.67_747.52	576	2784	512	18165	3854	5606	13647	5029	6126	11190	8177	2091	545	2354	1396	352	495
4.92_854.57	697	4430	310	8420	4402	3249	8431	4167	6001	4367	4161	2913	505	4845	2442	12854	12879
4.93_837.55	1513	12815	614	23756	14599	8181	21340	11377	15050	13240	12780	8838	1335	14729	6110	3628	3386
4.92_859.53	1901	9468	649	12337	9580	6830	12214	8147	9715	9607	8449	7236	1519	11594	6253	10324	11439
0.77_349.20	29737	27020	26257	14180	13541	17075	26034	10629	17530	35687	25688	9818	24102	14769	26423	543	842
5.12_771.52	1520	34069	1500	38619	24757	30003	38868	37701	41041	37563	32213	20348	1529	17074	12943	0	0
5.12_749.53	961	20458	454	44113	15702	19392	42255	24689	29142	29390	22533	11034	1170	10308	6786	1222	1372
4.67_764.54	631	4729	323	28648	6277	9141	20891	7390	8226	17693	12086	3119	587	2815	2245	2924	2665
5.12_766.56	1799	42859	624	93897	30837	39260	88689	50198	58786	61223	33507	22722	1865	20314	13813	53170	44292
0.85_543.39_0.83_565.37	3422	2593	5869	5931	3971	7231	7954	2534	2673	6095	4627	6374	8347	4336	8297	520	526
1.07_259.19_1.07_281.17	3631	3907	13617	12260	9051	7195	12882	9551	6824	14310	9432	1051	12259	12254	17931	1695	1447
1.39_1040.65_1.39_1062.63	1720	12223	3934	6727	11760	16684	7589	14739	12451	11484	17627	6042	1799	4950	4555	322	184
4.60_806.57_4.60_828.55	1226	20687	802	106526	36175	33555	185729	23155	30542	68546	68719	9791	2201	14299	14123	255365	252903
4.99_863.56_5.00_885.55	682	7600	592	28614	8459	8717	19154	8385	10503	9706	11548	5178	721	9117	3282	9230	10127
5.33_742.54_5.34_764.52	2395	48578	1224	156167	46619	53457	128884	52582	73417	89981	76536	20919	2951	39819	18693	9313	9987
5.55_865.58_5.57_887.56	1356	9168	887	14522	9106	6942	14064	7008	7640	10328	10126	5576	1453	9720	4502	2657	3229
5.75_777.56_5.75_799.55	4184	28724	4017	58275	21782	28415	60602	32309	33128	53439	35187	13896	4758	13606	9565	1207	1296
6.39_734.57_6.39_756.55	2274	23398	1500	61295	21293	24383	52733	26072	34559	36703	26419	15896	2371	17174	7373	2670	2989
0.76_376.26_0.76_393.29	1378	1141	27338	1269	49226	19335	52809	21077	1280	1769	43267	26458	26468	1414	48487	896	767
5.05_745.50_5.05_762.54	1382	9610	1202	23395	9431	10505	22883	15360	17521	15176	11650	6992	1085	7063	4734	1338	1866
0.71_380.22_0.71_385.18	8973	5102	7422	9511	4103	4322	5383	3397	3544	8309	7150	7382	8052	13361	17443	697	665
4.34_546.42_4.34_551.38	2277	9722	1974	19826	3269	8695	4051	4845	6047	9409	4028	25358	2942	5132	6462	1974	1725
4.88_718.54	1705	21964	1294	26104	17369	14675	28657	15228	22468	21493	13410	7596	1708	5658	4532	1224	1751
4.88_717.53	643	7191	400	7855	4774	5536	8043	6378	6934	6855	5938	2240	417	2094	1694	2322	0
4.39_728.52	652	3816	541	15627	3982	7466	12090	5065	6252	7214	7200	3253	617	2025	1617	729	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID
1_CE (22:1) iSTD	11.85	729.6534
1_CE (22:1) iSTD	11.86	724.6978
1_Ceramide C17 iSTD	6.06	552.537
1_Ceramide C17 iSTD	6.06	534.5258
1_Ceramide C17 iSTD	6.07	574.5182
1_Cholesterol d7 iSTD	4.89	376.3961
1_CUDA (pos) iSTD iSTD	0.85	341.2804
1_DG (12:0/12:0/0:0) iSTD	4.29	479.3715
1_DG (12:0/12:0/0:0) iSTD	4.29	474.4159
1_DG (18:1/2:0/0:0) iSTD	3.18	421.2938
1_DG (18:1/2:0/0:0) iSTD	3.17	416.3383
1_LPC (17:0) iSTD	1.88	510.3562
1_LPE (17:1) iSTD	1.4	466.2935
1_MG (17:0/0:0/0:0) iSTD	3.05	345.3006
1_MG (17:0/0:0/0:0) iSTD	3.05	367.2827
1_PC (25:0) iSTD	3.53	636.4608
1_PE (17:0/17:0) iSTD	6.4	720.5558
1_SM (d35:1) iSTD	5.14	717.5919
1_Sphingosine (d17:1) iSTD	1.09	286.2744
1_TG (17:0/17:1/17:0)-d5 iSTD	11.19	874.7899
1_TG (17:0/17:1/17:0)-d5 iSTD	11.19	869.8352
Acylcarnitine C16:0	1.62	400.3427
Acylcarnitine C18:1	1.77	426.3589
CE (18:1)	11.055	668.6339
CE (18:2)	10.59	666.6187
CE (18:3)	10.17	669.559
CE (20:4)	10.335	690.6194
Cholesterol	4.93	369.3524
LPC (16:0)	1.54	496.3405
LPC (18:0)	2.29	524.3713
LPC (18:1)	1.68	522.3571
PC (16:0/9:0(CHO))	2.39	650.4391
PC (28:0)	4.29	678.5071
PC (30:0)	4.89	706.539
PC (30:1)	4.395	704.5226
PC (31:0)	5.205	720.5566
PC (32:0)	5.545	756.553
PC (32:1)	4.995	732.5554
PC (32:2)	4.505	730.5388
PC (32:3)	4.88	728.5214
PC (33:0)	5.76	748.5854
PC (33:1)	5.29	746.5698
PC (33:2)	4.8	744.5546
PC (34:0)	6.22	762.6009
PC (34:2)	5.11	780.5522
PC (34:3)	4.68	756.5545
PC (34:4)	4.4	754.5378
PC (35:1)	5.84	774.5994
PC (35:1)	5.94	774.6013
PC (35:2)	5.43	772.5855
PC (35:2)	5.34	772.5865
PC (35:3)	4.89	770.5687
PC (35:4)	4.7	768.5533
PC (36:1)	6.29	788.6172
PC (36:2)	5.755	786.6014
PC (36:3) A	5.18	784.5855
PC (36:3) B	5.28	784.5859
PC (36:4) A	4.7	782.5698
PC (36:4) B	5.01	782.5697
PC (36:4) C	5.615	782.5681
PC (36:5) A	4.31	780.5534
PC (36:5) B	4.61	780.5541
PC (37:4)	5.32	796.5839
PC (38:2)	6.375	814.6325
PC (38:3)	5.93	812.6182
PC (38:4) A	5.66	810.6019
PC (38:4) B	6.29	810.5991
PC (38:5) A	5.06	808.5851
PC (38:5) B	5.245	808.5849
PC (38:6) A	4.85	806.5697
PC (40:4)	6.14	838.6326
PC (40:5) A	5.69	836.6162
PC (40:5) B	5.92	836.6155
PC (40:6) B	5.47	834.6
PC (40:7)	4.9	832.5842
PC (40:8)	4.45	830.5691
PC (o-32:0)	5.93	742.5734
PC (o-34:0)	6.65	748.6209
PC (p-32:0) or PC (o-32:1)	5.845	718.5737
PC (p-34:0) or PC (o-34:1)	6.02	746.6063
PC (p-34:1) or PC (o-34:2) A	5.49	744.5897
PC (p-34:1) or PC (o-34:2) B	5.99	744.5706
PC (p-34:2) or PC (o-34:3)	5.4	742.5715
PC (p-36:3) or PC (o-36:4)	5.39	768.5887
PC (p-36:4) or PC (o-36:5)	5.28	766.5695
PC (p-38:3) or PC (o-38:4)	6.07	796.6196
PC (p-38:4) or PC (o-38:5) A	5.44	794.6017
PC (p-40:6) or PC (o-40:7) A	5.25	818.5997
PC (p-40:7) or PC (o-40:8)	5.17	816.584
PE (34:2)	5.28	716.5318
PE (36:1)	6.47	746.5718
PE (p-36:2) or PE (o-36:3)	6.28	728.5582
PE (p-36:4) or PE (o-36:5)	5.47	724.5269
PE (p-38:4) or PE (o-38:5)	6.15	752.5585
PE (p-38:5) or PE (o-38:6)	5.52	750.5436
SM (d32:1)	4.2	675.5428
SM (d33:1)	4.5	689.5591
SM (d34:0)	5.05	705.5893
SM (d34:1)	4.825	703.5749
SM (d34:1)	4.91	703.5731
SM (d34:2)	4.29	701.5576
SM (d36:1)	5.48	731.6061
SM (d38:1)	6.19	759.637
SM (d40:1)	6.89	787.6684
SM (d41:1)	7.24	801.6844
SM (d42:1)	7.585	815.7012
SM (d42:2)	6.86	813.6849
SM (d42:3)	6.27	811.6622
TG (52:1)	11.4	878.8173
TG (52:2)	11.02	876.8019
TG (52:3)	10.65	874.7866
TG (52:4)	10.275	877.7258
TG (56:7)	10.14	927.7422
CSH_posESI #134	10.65	895.7163
CSH_posESI #141	11.4	899.7463
CSH_posESI #155	5.77	824.5565
CSH_posESI #201	10.61	369.3521
CSH_posESI #211	10.27	893.699
CSH_posESI #230	5.1	848.5399
CSH_posESI #231	5.1	838.5131
CSH_posESI #232	5.61	1162.8552
CSH_posESI #270	4.98	627.5348
CSH_posESI #275	4.98	887.5618
CSH_posESI #285	5.78	876.5692
CSH_posESI #286	5.1	1159.8308
CSH_posESI #288	4.93	577.5205
CSH_posESI #290	5.77	866.542
CSH_posESI #296	4.99	603.5349
CSH_posESI #296	5.18	603.5356
CSH_posESI #301	5.6	850.5545
5.55_737.82	5.55	737.8231
5.53_734.80	5.53	734.8029
5.35_741.54	5.35	741.5446
5.11_760.81	5.11	760.8141
5.11_758.81	5.11	758.8051
5.00_779.54	5	779.5445
5.17_799.55	5.17	799.5452
4.87_809.59	4.87	809.5851
5.60_1150.35	5.6	1150.351
5.60_1149.35	5.6	1149.3473
5.51_745.57	5.53	745.5742
4.86_339.29	4.86	339.2899
4.77_339.29	4.77	339.29
5.56_746.06	5.56	746.0607
0.53_226.95	0.53	226.9514
0.54_140.07	0.54	140.0678
0.54_214.14	0.54	214.1413
0.55_212.12	0.55	212.1188
0.55_248.16	0.55	248.1644
0.55_257.16	0.55	257.1629
0.55_273.14	0.55	273.1388
0.55_491.34	0.55	491.3365
0.56_198.13	0.56	198.1302
0.56_315.12	0.56	315.1211
0.56_482.34	0.56	482.3395
0.56_507.32	0.56	507.324
0.57_251.18	0.57	251.1766
0.57_295.15	0.57	295.152
0.57_441.25	0.57	441.2468
0.58_235.18	0.58	235.1804
0.58_235.32	0.58	235.3189
0.58_785.47	0.58	785.4651
0.59_351.20	0.59	351.1972
0.60_309.17	0.6	309.1697
0.60_337.20	0.6	337.2028
0.61_229.14	0.61	229.1395
0.61_367.21	0.61	367.2105
0.61_396.26	0.61	396.2635
0.61_423.24	0.61	423.2374
0.61_453.28	0.61	453.2829
0.63_459.21	0.63	459.2143
0.65_341.16	0.65	341.1573
0.65_767.46	0.65	767.4562
0.66_393.23	0.66	393.2256
0.67_319.19	0.67	319.1875
0.67_427.27	0.67	427.2679
0.68_351.21	0.68	351.2144
0.68_537.34	0.68	537.3391
0.68_762.50	0.68	762.5005
0.69_326.09	0.69	326.0858
0.69_328.08	0.69	328.0834
0.70_311.22	0.7	311.2214
0.70_405.28	0.7	405.2836
0.71_409.16	0.71	409.1643
0.76_610.43	0.76	610.4321
0.78_744.49	0.78	744.489
0.79_286.14	0.79	286.1442
0.80_437.19	0.8	437.1945
0.82_328.25	0.82	328.2464
0.84_404.30	0.84	404.3003
0.87_1090.60	0.87	1090.5995
0.98_993.55	0.98	993.5499
0.99_295.23	0.99	295.228
0.99_330.26	0.99	330.2646
0.99_354.29	0.99	354.2858
0.99_357.27	0.99	357.2746
1.02_253.26	1.02	253.2639
1.02_726.48	1.02	726.4792
1.06_304.30	1.06	304.2997
1.07_129.05	1.07	129.0547
1.07_149.02	1.07	149.023
1.07_167.03	1.07	167.0334
1.07_279.16	1.07	279.1593
1.51_332.33	1.51	332.3314
1.76_298.35	1.76	298.347
1.78_326.38	1.78	326.3784
1.95_235.18	1.95	235.1805
2.99_235.18	2.99	235.1805
3.11_235.18	3.11	235.1804
3.31_235.18	3.31	235.1803
3.40_659.48	3.4	659.4816
3.48_763.61	3.48	763.6052
3.65_235.18	3.65	235.1802
3.82_235.18	3.82	235.1805
4.29_573.49	4.29	573.4874
4.29_623.50	4.29	623.5021
4.38_235.18	4.38	235.1804
4.46_523.47	4.46	523.4722
4.54_549.49	4.54	549.4874
4.56_601.52	4.56	601.5175
4.58_599.50	4.58	599.5027
4.64_625.52	4.64	625.5189
4.67_575.50	4.67	575.5031
4.73_601.52	4.73	601.5194
4.86_713.51	4.86	713.5142
4.87_551.50	4.87	551.5025
4.87_601.52	4.87	601.5181
4.88_184.07	4.88	184.0731
4.88_718.03	4.88	718.0302
4.88_744.51	4.88	744.5092
4.88_786.49	4.88	786.4878
4.88_788.48	4.88	788.4805
4.88_1081.28	4.88	1081.2848
4.88_1081.79	4.88	1081.7866
4.89_706.77	4.89	706.767
4.89_708.88	4.89	708.881
4.90_739.53	4.9	739.528
4.91_337.27	4.91	337.2741
4.91_589.52	4.91	589.5179
4.92_235.18	4.92	235.1806
4.99_732.79	4.99	732.7869
5.00_736.57	5	736.5665
5.01_770.52	5.01	770.5243
5.01_780.05	5.01	780.0462
5.01_820.53	5.01	820.5317
5.05_551.50	5.05	551.5043
5.07_767.55	5.07	767.553
5.08_768.04	5.08	768.044
5.08_781.56	5.08	781.5551
5.10_760.92	5.1	760.9191
5.12_577.52	5.12	577.5203
5.12_793.53	5.12	793.5264
5.17_627.54	5.17	627.5359
5.19_819.53	5.19	819.5316
5.27_692.56	5.27	692.5598
5.34_799.55	5.34	799.5474
5.35_339.29	5.35	339.2901
5.37_235.18	5.37	235.1801
5.44_591.54	5.44	591.5366
5.48_579.54	5.48	579.5352
5.52_747.07	5.52	747.0665
5.53_736.92	5.53	736.9207
5.54_125.00	5.54	124.9993
5.54_184.07	5.54	184.0733
5.54_737.08	5.54	737.0828
5.54_739.59	5.54	739.5903
5.54_744.72	5.54	744.7153
5.54_746.31	5.54	746.308
5.54_754.04	5.54	754.0405
5.55_605.55	5.55	605.5517
5.55_814.51	5.55	814.511
5.55_1123.33	5.55	1123.3331
5.55_1123.83	5.55	1123.8326
5.55_1152.81	5.55	1152.806
5.55_1153.31	5.55	1153.3147
5.56_772.53	5.56	772.5325
5.56_818.52	5.56	818.521
5.58_1136.34	5.58	1136.3392
5.58_1136.84	5.58	1136.8422
5.59_759.07	5.59	759.0689
5.60_235.18	5.6	235.1804
5.60_770.06	5.6	770.0606
5.60_772.08	5.6	772.0772
5.60_840.53	5.6	840.5263
5.60_1149.85	5.6	1149.8483
5.61_760.82	5.61	760.8192
5.61_762.94	5.61	762.9387
5.67_579.75	5.67	579.745
5.71_538.52	5.71	538.5213
5.75_605.55	5.75	605.5513
5.87_235.18	5.87	235.1803
5.90_745.57	5.9	745.5673
6.23_184.07	6.23	184.0732
6.27_522.60	6.27	522.5997
7.67_734.57	7.67	734.5702
8.30_647.56	8.3	647.5566
10.33_369.35	10.33	369.3526
10.33_711.55	10.33	711.5483
10.57_687.55	10.57	687.5482
11.06_369.35	11.06	369.3522
4.90_775.55_4.90_797.52	4.9	775.5478
6.02_734.57	6.02	734.5689
6.01_736.56	6.01	736.5635
4.58_692.52	4.58	692.5226
5.10_720.56	5.1	720.5579
4.68_718.54	4.68	718.543
4.78_730.54	4.78	730.5377
5.87_748.59	5.87	748.5862
4.64_758.56	4.64	758.5601
4.58_756.55	4.58	756.554
4.78_756.55	4.78	756.5546
6.43_776.62	6.43	776.6165
6.14_812.62	6.14	812.6165
5.33_810.60	5.33	810.5991
5.46_810.60	5.46	810.6015
4.35_854.57	4.35	854.5701
5.66_746.57	5.66	746.5699
5.87_744.56	5.87	744.5602
4.54_738.53	4.54	738.5269
5.56_758.56	5.56	758.5633
5.72_756.55	5.72	756.553
5.23_766.55	5.23	766.5506
6.89_790.63	6.89	790.6335
6.38_784.58	6.38	784.5812
5.72_782.57	5.72	782.5685
4.73_778.54	4.73	778.5364
4.58_788.54	4.58	788.5438
6.37_810.60	6.37	810.5991
4.64_814.56	4.64	814.5589
5.17_690.54	5.17	690.5405
6.72_774.64	6.72	774.6368
6.18_772.62	6.18	772.6211
6.07_770.60	6.07	770.6019
4.87_764.58	4.87	764.5754
5.59_700.53	5.59	700.5286
6.26_754.57	6.26	754.5735
5.69_790.56	5.69	790.5583
5.19_788.55	5.19	788.55
4.88_796.51	4.88	796.5085
5.10_812.54	5.1	812.5414
5.55_824.54	5.55	824.5397
5.00_822.52	5	822.5233
5.18_822.54	5.18	822.5371
4.93_836.55	4.93	836.546
6.21_852.57	6.21	852.5688
5.11_796.53	5.11	796.5266
5.18_797.53	5.18	797.5325
5.19_792.58	5.19	792.5778
4.86_804.55	4.86	804.5518
4.85_782.57	4.85	782.5704
4.73_795.52	4.73	795.5158
4.73_773.53	4.73	773.5331
5.19_775.55	5.19	775.5494
0.76_344.24	0.76	344.2436
0.77_327.22	0.77	327.2167
4.73_790.56	4.73	790.564
4.67_769.50	4.67	769.5037
4.67_747.52	4.67	747.5184
4.92_854.57	4.92	854.5731
4.93_837.55	4.93	837.5501
4.92_859.53	4.92	859.5324
0.77_349.20	0.77	349.1989
5.12_771.52	5.12	771.5154
5.12_749.53	5.12	749.5334
4.67_764.54	4.67	764.5439
5.12_766.56	5.12	766.5594
0.85_543.39_0.83_565.37	0.84	543.3882
1.07_259.19_1.07_281.17	1.07	259.1897
1.39_1040.65_1.39_1062.63	1.39	1040.6533
4.60_806.57_4.60_828.55	4.6	806.5707
4.99_863.56_5.00_885.55	4.995	863.561
5.33_742.54_5.34_764.52	5.335	742.5438
5.55_865.58_5.57_887.56	5.56	865.5805
5.75_777.56_5.75_799.55	5.75	777.5635
6.39_734.57_6.39_756.55	6.39	734.5701
0.76_376.26_0.76_393.29	0.76	376.2606
5.05_745.50_5.05_762.54	5.05	745.5034
0.71_380.22_0.71_385.18	0.71	380.2203
4.34_546.42_4.34_551.38	4.34	546.4193
4.88_718.54	4.88	718.5377
4.88_717.53	4.88	717.5338
4.39_728.52	4.39	728.5215
METABOLITES_END
#END