#METABOLOMICS WORKBENCH jfolz_20210517_145731 DATATRACK_ID:2643 STUDY_ID:ST001794 ANALYSIS_ID:AN002913 PROJECT_ID:PR001138
VERSION             	1
CREATED_ON             	May 19, 2021, 9:20 am
#PROJECT
PR:PROJECT_TYPE                  	Exploratory
PR:PROJECT_SUMMARY               	Samples were retrieved from a human small intestine samples over 8 hours.
PR:PROJECT_SUMMARY               	Metabolomics analysis followed resulting in many annotated metabolites.
PR:PROJECT_SUMMARY               	Intensity profiles gives insight into gastrointestinal functions.
PR:INSTITUTE                     	UC Davis
PR:FIRST_NAME                    	Jacob
PR:ADDRESS                       	451 Health Science Drive
PR:EMAIL                         	jfolz@ucdavis.edu
PR:PHONE                         	7155636311
PR:PROJECT_TITLE                 	Metabolomics Analysis of Time-Series Gastrointestinal Lumen Samples
PR:LAST_NAME                     	Folz
#STUDY
ST:STUDY_TITLE                   	Metabolomics Analysis of Time-Series Gastrointestinal Lumen Samples
ST:STUDY_SUMMARY                 	Samples were retrieved from a human small intestine samples over 8 hours.
ST:STUDY_SUMMARY                 	Metabolomics analysis followed resulting in many annotated metabolites.
ST:STUDY_SUMMARY                 	Intensity profiles gives insight into gastrointestinal functions.
ST:INSTITUTE                     	University of California, Davis
ST:LAST_NAME                     	Folz
ST:FIRST_NAME                    	Jacob
ST:ADDRESS                       	451 Health Science Drive
ST:EMAIL                         	jfolz@ucdavis.edu
ST:TOTAL_SUBJECTS                	1
ST:NUM_MALES                     	1
ST:PHONE                         	7155636311
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	Sa_01	Factor:Time point 1	RAW_FILE_NAME=Sa_01_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_02	Factor:Time point 2	RAW_FILE_NAME=Sa_02_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_03	Factor:Time point 3	RAW_FILE_NAME=Sa_03_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_04	Factor:Time point 4	RAW_FILE_NAME=Sa_04_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_05	Factor:Time point 5	RAW_FILE_NAME=Sa_05_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_06	Factor:Time point 6	RAW_FILE_NAME=Sa_06_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_07	Factor:Time point 7	RAW_FILE_NAME=Sa_07_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_08	Factor:Time point 8	RAW_FILE_NAME=Sa_08_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_09	Factor:Time point 9	RAW_FILE_NAME=Sa_09_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_10	Factor:Time point 10	RAW_FILE_NAME=Sa_10_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_11	Factor:Time point 11	RAW_FILE_NAME=Sa_11_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_12	Factor:Time point 12	RAW_FILE_NAME=Sa_12_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_13	Factor:Time point 13	RAW_FILE_NAME=Sa_13_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_14	Factor:Time point 14	RAW_FILE_NAME=Sa_14_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_15	Factor:Time point 15	RAW_FILE_NAME=Sa_15_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_16	Factor:Time point 16	RAW_FILE_NAME=Sa_16_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_17	Factor:Time point 17	RAW_FILE_NAME=Sa_17_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_18	Factor:Time point 18	RAW_FILE_NAME=Sa_18_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_19	Factor:Time point 19	RAW_FILE_NAME=Sa_19_RawData
SUBJECT_SAMPLE_FACTORS           	-	Sa_20	Factor:Time point 20	RAW_FILE_NAME=Sa_20_RawData
SUBJECT_SAMPLE_FACTORS           	-	QC_01	Factor:QC	RAW_FILE_NAME=QC_01_RawData
SUBJECT_SAMPLE_FACTORS           	-	QC_02	Factor:QC	RAW_FILE_NAME=QC_02_RawData
SUBJECT_SAMPLE_FACTORS           	-	QC_03	Factor:QC	RAW_FILE_NAME=QC_03_RawData
SUBJECT_SAMPLE_FACTORS           	-	QC_04	Factor:QC	RAW_FILE_NAME=QC_04_RawData
#COLLECTION
CO:COLLECTION_SUMMARY            	Samples were retrieved from the lumen of the jejunum of a human subject over 8
CO:COLLECTION_SUMMARY            	hours collected at approximately 30 minute intervals.
CO:SAMPLE_TYPE                   	Jejunum
#TREATMENT
TR:TREATMENT_SUMMARY             	Diet and acetaminophen consumption were recorded throughout the collection
TR:TREATMENT_SUMMARY             	period.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	20 uL of jejunum supernatant was extracted using a biphasic liquid liquid
SP:SAMPLEPREP_SUMMARY            	extraction for HILIC and CSH LC-MS/MS analysis as in doi: 10.3390/metabo9050101
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	CSH
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters Acquity CSH C18 (100 x 2.1mm, 1.7um)
CH:FLOW_GRADIENT                 	The LC gradient started at 15% B, increased to 30% B from 0-2 minutes, increased
CH:FLOW_GRADIENT                 	to 48% B from 2-2.5 minutes, increased to 82% B from 2.5-11 minutes, increased
CH:FLOW_GRADIENT                 	to 99% B from 11-11.5 minutes, held at 99% B from 11.5-12 minutes, returned to
CH:FLOW_GRADIENT                 	15% B from 12-12.1 minutes and held at 15% B from 12.1-15 minutes.
CH:FLOW_RATE                     	0.6 ml/min
CH:COLUMN_TEMPERATURE            	65
CH:SOLVENT_A                     	6:4 acetonitrile/ water; 10mM ammonium formate and 0.1% formic acid for positive
CH:SOLVENT_A                     	mode ionization, and 10mM ammonium acetate for negative mode ionization.
CH:SOLVENT_B                     	9:1 isopropanol acetonitrile (v/v); 10mM ammonium formate and 0.1% formic acid
CH:SOLVENT_B                     	for positive mode ionization, and 10mM ammonium acetate for negative mode
CH:SOLVENT_B                     	ionization.
CH:SAMPLE_INJECTION              	4 uL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Fiehn Lab
AN:OPERATOR_NAME                 	Jacob Folz
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	LC-MS/MS data was processed using open source software MS-DIAL (version 4.24)
MS:MS_COMMENTS                   	which performed peak picking, deisotoping, automated peak annotation, alignment
MS:MS_COMMENTS                   	and gap filling.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak Height Intensity
MS_METABOLITE_DATA_START
Samples	Sa_01	Sa_02	Sa_03	Sa_04	Sa_05	Sa_06	Sa_07	Sa_08	Sa_09	Sa_10	Sa_11	Sa_12	Sa_13	Sa_14	Sa_15	Sa_16	Sa_17	Sa_18	Sa_19	Sa_20	QC_01	QC_02	QC_03	QC_04
Factors	Factor:Time point 1	Factor:Time point 2	Factor:Time point 3	Factor:Time point 4	Factor:Time point 5	Factor:Time point 6	Factor:Time point 7	Factor:Time point 8	Factor:Time point 9	Factor:Time point 10	Factor:Time point 11	Factor:Time point 12	Factor:Time point 13	Factor:Time point 14	Factor:Time point 15	Factor:Time point 16	Factor:Time point 17	Factor:Time point 18	Factor:Time point 19	Factor:Time point 20	Factor:QC	Factor:QC	Factor:QC	Factor:QC
ACar 10:0	26543	26171	1073382	584213	250973	68654	157065	305773	140621	711680	922304	628559	600207	324736	355520	624258	854049	339583	74324	148873	438014	407817	436525	488698
ACar 10:1	19262	8915	3026295	1807167	611236	311044	586984	718138	368725	1900868	1687574	1590942	1401178	677966	768941	1460762	1201910	350357	98454	208762	746942	914359	961262	975155
ACar 12:0	3423	4551	1023203	775002	280530	39308	157310	249645	222458	2161893	2856260	1367901	1435101	513775	726348	1934582	1857244	826541	52599	445153	766335	787388	863312	860085
ACar 14:2	134959	91721	2197120	1784700	769948	163222	629515	872398	577220	4970019	6560269	2895127	2871906	1139210	1711269	3938157	3180244	735623	323263	320502	1372747	1571815	1563839	1696413
ACar 16:0	0	0	0	1121578	341084	95235	562897	1075130	932712	5684622	4189678	4086031	4984404	1484749	5009861	9850888	1953091	634926	46518	789517	1585226	1999412	2177566	2434018
ACar 18:0	0	0	340291	625772	196369	49580	216005	300254	220148	1603565	1403596	904853	1093745	308505	777470	1885620	573855	209309	8325	334164	477113	559925	569252	599816
ACar 18:1	0	0	2722410	3774301	1310974	367576	1196185	1987250	7854314	19854172	26100962	23572710	22207326	6006500	26444592	52529480	6229977	1945044	173336	2061710	7615080	8762448	8778813	9556803
ACar 18:2	0	0	1131966	1635396	479368	150224	670642	1270461	1472061	6514674	6727634	5226942	6211266	2375084	6301765	10394529	1842821	583161	66404	676265	2008082	2306663	2386012	2597208
ACar 18:3	0	0	196484	240668	158295	78074	404222	286779	197844	1105118	1146102	843984	1000067	315757	599338	1526574	315177	91023	0	65148	318139	369138	333058	393599
ACar 8:1	11350	23638	4110326	795134	373012	118570	149059	602937	17355	28833	76240	160920	145740	203704	106426	30723	491042	144029	83883	16036	301631	262241	305984	314301
ACar 11:1	0	7577	12214225	4476132	1095216	285474	507774	1832753	120634	1823122	1559120	1553651	847714	718373	523616	482457	2448786	493752	32539	58722	1104761	1230779	1312393	1351983
ACar 13:0	12180	29437	10865530	11333723	2492710	616227	2382486	4096164	1675442	21594780	19961868	14087900	13151461	5146930	5526110	14814995	4514812	2236832	243253	895750	5642324	6190192	6251752	6288274
ACar 13:1	13066	8725	18330880	10426159	2165708	436210	1228165	2635737	622829	10905444	10678295	3817308	3261862	1374180	1171864	3598345	3511856	1034982	93641	194857	2679799	3080163	3005399	3219317
ACar 14:0	0	0	547872	784366	219560	52574	191485	326046	170139	1927271	2305541	1622520	1892065	652844	1187119	2675094	1490788	787546	67143	700837	798365	1000437	914156	913377
ACar 15:2	75452	69908	1962982	1645284	607446	142591	418314	436189	419692	4729060	4806720	2054746	2937283	1567291	1930084	3893962	1154870	685806	132883	319059	1084436	1224147	1256812	1279436
ACar 16:1	0	0	887227	1225802	414146	94201	335582	542678	946365	4490304	5028810	3723074	4179177	1537605	4032944	7063976	1665861	583363	42525	513520	1412327	1747790	1798624	1892018
ACar 16:2	0	0	226043	230626	93471	12857	100907	120402	117941	829654	897532	540707	651810	272726	448390	935630	354350	104825	3704	109263	244019	329163	278988	303211
ACar 16:3	0	5693	1229239	1164570	309014	59519	273768	271645	189681	2829088	2961666	1620128	1340207	399159	480393	1979971	959247	235536	21474	96298	645266	696573	704604	770166
ACar 16:4	0	0	1358441	1045236	265462	4960	150514	233448	116562	2196410	2640013	958817	732320	257096	362656	1436452	1072794	158841	0	12751	477359	592183	554234	611074
ACar 20:1	0	0	99280	82681	9086	0	6246	17913	16573	293228	309215	143894	133402	24803	114869	279845	68590	12661	0	21152	66924	74332	91102	90334
ACar 9:0	21631	18165	911907	1145940	400186	635333	1105513	1139276	639742	2261455	2078353	2674993	4625112	1694856	2336446	3181197	1092554	2361569	1093540	2385359	1253905	1261426	1438466	1578689
CE 16:0	0	0	0	0	0	0	0	0	0	8539	8444	12333	0	0	24735	8254	0	0	0	0	9490	0	20486	11459
CE 16:1	0	0	0	0	0	0	0	8142	0	10089	0	0	0	0	7083	0	0	0	0	0	20221	38210	34240	53220
CE 18:1	9180	0	0	18230	268417	24431	20706	0	648151	895099	1380748	309991	112373	361702	2398356	222535	46641	9453	8572	23694	904254	1000569	1407413	1577158
CE 18:2	21843	13334	16452	209809	1725025	188958	123019	391388	414405	964096	897582	315797	83174	886809	1191324	118086	90404	30130	0	7500	1148443	1924314	2151430	2430381
CE 18:3	0	0	0	125224	2115567	163022	102866	207398	44621	151336	171253	27380	0	169327	261440	7192	0	0	0	0	330424	332885	410216	433115
CE 20:3	0	0	0	0	80475	0	0	0	15999	95318	53962	16526	0	0	54099	8409	0	0	0	0	11141	9674	25405	0
CE 20:4	0	6241	7343	281331	1141584	138101	21277	0	126850	1293172	508897	33102	7409	12590	236394	86850	176330	60486	0	0	402951	475028	552300	614040
CE 20:5	0	0	0	16141	194853	7056	0	0	0	261055	64345	0	0	0	7562	7491	8331	0	0	0	85098	96074	107766	128769
CE 22:6	0	0	0	129111	391326	30346	10592	32778	7396	502081	212773	0	0	0	98326	19898	64303	9645	0	0	260504	316454	350041	410689
Ceramide 32:1;2O|Ceramide 16:1;2O/16:0	0	0	640038	290791	63857	101687	282130	601542	269502	59717	52805	149560	223375	99977	269085	77495	234578	84597	83703	197126	204580	296363	282092	367536
Ceramide 33:1;2O|Ceramide 17:1;2O/16:0	0	0	229359	144305	37035	50870	126301	176744	119646	68839	34373	144246	150514	47328	150667	67345	149402	23054	15438	69762	104016	144021	160398	171421
Ceramide 34:0;2O|Ceramide 18:0;2O/16:0	44986	19628	276594	336099	106089	95101	282098	357126	377996	192477	162483	401844	518578	168000	391951	338664	152383	64798	55002	171625	226368	365559	339651	425895
Ceramide 36:2;2O|Ceramide 18:1;2O/18:1	0	0	118530	74804	0	0	30614	77547	34875	81281	107124	114158	145168	32844	147903	145684	93113	0	7685	170322	176361	240031	262932	303582
Ceramide d38:1	0	0	443958	231818	83823	56138	194938	240862	213793	69711	62840	121912	113722	37610	289345	47846	380098	93744	7509	84594	191979	324179	316593	325297
Ceramide d40:1	0	0	564730	341177	129340	114902	282787	583093	358105	198813	83571	252239	296307	147389	410391	125330	619807	154559	27788	171063	254089	359407	412856	533987
Ceramide d41:1	0	0	253354	145808	82900	44819	129772	318890	300964	113470	28689	123164	173067	76902	261938	75719	346796	76017	0	107431	157525	202990	244449	254471
Ceramide d42:1	0	0	381867	263544	115596	91441	211533	465164	231538	155162	53799	203646	211481	93399	230622	138035	245641	60487	23524	124027	180249	290758	268850	337072
Cholesterol	223997	180138	26844658	23109154	5897718	5130306	11843880	4764710	3882066	15030070	17604088	8699176	7078749	3298760	4138008	9001423	5641978	3497647	404475	2441149	7749156	9161053	11149520	12363386
DAG 32:1	0	0	0	0	0	0	0	2468292	32305	12029	30518	0	0	252668	0	0	10727	0	28577	96701	598654	698357	736542	784171
DAG 34:1	0	5954	0	0	10231	0	0	352539936	2905492	847360	2256699	0	0	30716960	828142	9241	128590	17409	157659	224473	7062564	8187581	10058456	10586152
DAG 34:2	7575	0	0	0	116131	0	0	77397120	742406	282271	753028	0	7904	6496828	329500	9668	96083	10509	63241	54011	1842799	2511856	2788476	3041830
DAG 36:2	64354	37013	25172	12393	34381	32267	21527	2141423360	43661032	4123272	33807168	70649	43436	493878688	13820564	222214	237695	91694	255365	179234	78255856	106472056	111413232	136752624
DAG 36:3	0	5602	0	18324	200085	6263	0	1184931840	13202182	2913895	12106017	0	0	199198224	5119263	116589	136839	18849	195847	91185	24975558	30281784	32492480	36423988
DAG 36:4	0	0	0	11158	448020	28721	0	20221344	1045007	338089	1234917	0	0	8641794	524706	0	7280	0	0	0	2142488	2475969	2851022	3278771
DAG 36:5	0	0	0	11622	1176169	11060	0	6341329	202294	0	119441	0	0	1860535	101995	0	0	0	0	0	273091	449485	505522	552341
DAG 38:5	0	0	0	0	18945	0	0	5704779	705368	655324	1123145	0	0	644216	209803	0	29824	8628	7418	0	369385	506507	524877	578395
DAG 38:6	0	0	0	0	318469	10958	0	1126782	275313	290190	468120	0	0	255072	94004	0	10430	0	6243	0	181445	240346	293717	265551
DG 26:0	34258	58711	9680	12128	0	4791	0	0	5696	0	14576	0	0	25820	0	0	11035	0	14297	123045	151455	215649	194132	220143
DG 28:0	6474	6969	7624	0	0	0	0	12119	0	0	0	0	0	0	0	0	0	0	0	141206	99296	143789	83074	65788
DG 30:0|DG 14:0_16:0	0	0	0	0	5848	0	0	0	0	0	0	0	0	6663	0	0	5767	0	19917	73454	115240	193385	152449	210854
DG 30:1	0	0	0	7663	0	5448	0	427768	187661	39573	68852	7719	0	193054	137246	14486	0	0	51988	138547	355164	437077	550677	586372
DG 32:0|DG 16:0_16:0	26504	27405	42799	34732	10607	12303	11432	1558896	113254	42993	54244	18654	5821	274004	97388	35788	74471	12944	80085	181667	414973	559780	539321	674884
DG 32:2|DG 16:0_16:2	0	0	0	0	0	0	0	347614	0	0	6267	0	0	29710	0	0	23809	0	14568	15406	181471	293859	286469	279576
DG 33:0	0	16774	29183	23295	5871	5184	0	168075	26692	6789	45576	5690	0	113586	28291	11183	33725	0	8162	75878	247521	314521	359758	368705
DG 33:1	0	0	0	0	5025	0	0	1575986	59203	31929	105518	0	0	340604	25546	0	6445	8127	18711	60626	266505	330974	413308	448839
DG 34:0|DG 16:0_18:0	88868	66849	79884	85930	83471	30881	48105	458653	105023	139612	546300	256571	205917	505795	207986	196313	101855	36245	91145	127031	266014	358864	422870	485379
DG 34:4|DG 16:1_18:3	0	0	0	0	20612	0	0	4239080	56988	7922	109097	0	0	495834	37498	0	0	0	0	0	179144	197336	211591	206541
DG 35:1|DG 17:0_18:1	0	0	0	0	0	0	0	2530490	125121	0	116313	0	0	388536	50328	0	0	0	0	0	306431	463107	423333	443482
DG 35:2|DG 17:1_18:1	0	0	0	0	0	0	0	12624638	208011	11766	137784	0	0	1359442	48220	0	0	0	0	0	311361	387973	461145	543505
DG 35:3	0	0	0	0	0	0	0	3687048	123891	10874	85015	0	0	1013011	34595	0	0	0	0	0	188546	268708	283899	298323
DG 36:0|DG 18:0_18:0	29771	5758	7193	17579	80938	9519	17394	200296	81809	393374	3838680	1625049	1341980	1087807	603443	946394	60036	17483	62446	28658	258902	362864	432272	566155
DG 36:1|DG 18:0_18:1	0	0	0	0	7479	0	0	21886320	946867	255566	799066	0	0	8390321	291581	0	15733	0	28415	43034	2907649	3444102	4885638	4737934
DG 38:1	0	0	0	0	0	0	0	8903548	317427	54921	175241	0	0	1672828	77508	0	0	0	7166	0	562445	861104	1013715	1062132
DG 38:3	0	0	0	0	0	0	0	1748518	168552	0	108800	0	0	727920	40602	0	0	0	0	0	210109	290745	353203	335229
DG 38:4|DG 18:1_20:3	0	0	0	0	5458	0	0	996558	132128	89881	223278	0	0	190833	25333	0	0	0	0	0	73462	136605	129684	134951
DG 40:7	0	0	0	0	0	0	0	1890510	523349	399041	657657	0	0	421119	157799	0	0	0	15674	0	294573	407802	368839	450554
DGDG 36:3|DGDG 18:1_18:2	0	0	0	0	0	0	0	82104	0	0	362364	393357	274681	589254	312503	250807	0	0	0	0	111283	136443	206735	178755
DGDG 36:4|DGDG 18:2_18:2	0	0	0	0	8574	0	0	7636	0	39153	218251	76777	134945	116230	81397	164744	0	0	0	5761	22938	40957	36393	41245
Gal-Gal-Cer d18:1/16:0 or Lactosylceramide d18:1/16:0	0	0	289272	412760	17912	11292	179295	91098	5484	0	172932	335717	498067	158882	254350	553123	222347	109971	0	68161	162083	169719	180144	215576
GlcCer d42:1	0	0	26240	130437	19953	0	62090	54032	129758	145280	66112	134416	146277	49639	205145	84568	312907	122512	0	11038	111965	152223	142533	184807
GlcCer d42:2	0	0	12732	8968	0	0	0	0	0	6919	10709	6932	11054	0	0	39583	26528	0	0	0	0	0	0	14122
HexCer 34:0;4O|HexCer 18:0;3O/16:0;(2OH)	0	0	10787	52877	16499	15789	87655	99097	105607	104399	107838	221190	313858	65890	425230	186935	15336	6893	6294	11331	109045	163637	177300	215080
HexCer 34:1;3O|HexCer 18:1;2O/16:0;O	124989	110708	835371	3244492	1181067	1417171	4060714	5014671	4424829	1996670	2049458	6608983	8468700	2894122	9006637	2164094	1229589	402207	117449	348550	4894510	5327370	7379138	7739756
HexCer 34:1;4O|HexCer 18:1;3O/16:0;(2OH)	0	0	0	126591	270221	211141	798718	201718	0	5674	0	35675	76604	0	0	0	0	0	0	0	53211	70377	116593	124407
HexCer 34:2;3O|HexCer 18:2;2O/16:0;O	0	0	0	759691	1238476	703771	1638290	136910	0	0	0	297076	703518	55197	8555	0	0	0	0	0	290345	491790	627840	648073
HexCer 38:2;3O|HexCer 18:2;2O/20:0;O	0	0	0	0	0	0	0	0	0	0	0	175617	270220	35906	7779	0	0	0	0	0	9569	36596	48403	65548
HexCer 40:0;4O|HexCer 18:0;3O/22:0;(2OH)	0	0	0	8842	0	9786	60661	140239	117118	92171	83165	148531	140775	41588	370588	103049	7414	0	0	0	102020	104133	160421	154390
HexCer 40:1;3O|HexCer 18:1;2O/22:0;O	0	0	0	84972	7880	11708	65820	301907	360748	264703	119436	283113	333930	130222	662122	135878	82992	0	0	10799	194834	281036	364282	408468
HexCer 40:1;4O|HexCer 18:1;3O/22:0;(2OH)	0	0	0	88077	153508	122100	506783	75985	0	0	0	59186	108235	8513	6039	0	0	0	0	0	122432	151228	179748	198718
HexCer 41:0;4O|HexCer 18:0;3O/23:0;(2OH)	0	0	0	6060	0	0	11016	134247	59643	66960	15148	107248	75020	23081	306218	40297	0	0	7110	0	53636	99124	71925	100624
HexCer 42:0;4O|HexCer 18:0;3O/24:0;(2OH)	0	0	55410	158683	39041	18936	121009	172615	171882	164842	132433	299423	365102	119872	642685	227036	37507	7718	0	6282	135281	203251	242812	291276
HexCer 42:1;3O|HexCer 18:1;2O/24:0;O	11695	0	83935	243873	22337	21460	167534	376827	410725	282838	159933	440972	539009	191634	749762	211938	127772	22002	0	29851	225705	337582	509205	514088
HexCer 42:1;4O|HexCer 18:1;3O/24:0;(2OH)	0	0	0	204547	271004	279640	657483	204041	7477	0	8313	174682	249939	71063	21936	12095	0	0	0	0	211299	241543	331118	373473
HexCer 44:1;3O|HexCer 20:1;2O/24:0;O	24890	8622	108493	190914	19510	0	109255	113753	9812	0	18815	167648	161139	75593	90819	81792	0	0	0	0	69504	96201	95538	135796
Lactosylceramide d18:1/24:1 15Z	6050	0	35327	37459	0	0	16334	0	5941	8048	8472	46368	95344	29618	76125	147267	16970	6081	0	14665	13069	31988	20343	36168
LPC 17:1	0	0	4897856	4247724	1592042	604079	597122	1464801	468109	5305624	2920075	522707	335294	315963	345112	545034	1711009	790252	49204	119950	1021400	1324128	1300465	1429324
LPC 20:0	0	0	274622	918731	601606	318454	889582	853733	347803	1127018	602309	421532	438254	127243	189306	446588	376755	202887	76584	237686	484811	611799	572836	615180
LPC 20:1	0	3140	1294558	1474939	726458	314571	512403	749325	258248	1646406	1351064	1832564	1696180	322295	315189	505482	780491	300464	64705	150343	664995	800112	872831	946413
LPC 20:2	0	0	6722055	1805348	611563	194577	267045	720612	579396	2463911	2250798	497503	397282	250955	294003	476172	734851	280573	46990	125578	859132	1008457	1007904	1099914
LPC 22:4	0	0	394203	27551	0	0	0	12298	26817	109131	116086	0	0	0	6664	21472	6512	0	0	0	64425	64493	76689	51235
LPC 22:6	0	0	3227515	770111	5086	0	8110	147928	170459	1584376	2444485	15344	0	141571	149328	226409	326790	45208	0	13684	480313	587742	639614	762913
LPC 12:0/0:0	0	0	75132	130691	26681	8151	16017	215208	0	107548	76556	0	4986	0	15412	0	177039	166808	0	40145	84291	99567	94681	119492
LPC 14:0	3043	0	10501042	13141168	5057419	1626656	1831476	3207610	1211160	14198671	8424118	955984	648003	872906	1051365	1931893	4430739	1889656	180971	594531	3370080	4510428	4418266	4694194
LPC 15:0	0	0	19634298	19618448	6193814	2352860	2348068	5124962	1746169	25877842	16779182	2451228	1889050	1530978	1626724	3272537	7101903	3360484	237457	466702	5030904	6499188	5922296	6899399
LPC 16:0	428059	272678	1691761280	2048333696	1069839616	409389024	460866816	1026895936	339301408	2225408512	1554061184	493755392	374809152	253724752	273802432	512363488	1168465280	549827520	35789476	73988824	867527296	1066104832	1057778624	1199029888
LPC 16:1	0	0	46310124	75411592	23130492	8022056	7720980	16700602	5406264	83765344	51085596	8584113	5994382	5352582	5826066	15999962	27092804	10664002	651040	1026187	16753867	21219470	22006492	23807660
LPC 16:2/0:0	0	0	976572	1442347	375266	116445	99717	195224	86173	1443786	850136	135996	69443	74358	69530	224194	251718	135780	0	8272	220719	229562	228263	270112
LPC 18:0	158453	119996	212861712	382055168	123910568	39262320	50181692	276562656	66526176	509081376	311624320	39146728	33673156	39843084	42932984	48468128	153086400	53653596	9330363	20553842	116930696	145080112	156308640	168998192
LPC 18:1	83299	68699	466484928	281086592	116248696	35281020	47561656	81833040	31074248	296341280	155320256	58119776	48720044	18449288	19738310	28785698	94698056	36276856	4966366	10500337	63182060	83145648	89128480	94240272
LPC 18:2	42639	34693	644855488	141603360	78147320	23133752	41575496	35592736	14210367	187853328	114933576	246985808	198918880	26990914	19163030	23572768	33794852	10489480	1957538	4197163	59666388	72746080	72541176	81065168
LPC 18:3	0	0	16373597	9665385	4110493	1150656	2230632	1690984	1651552	12814192	6907012	5078392	3533766	1190900	1321801	4716888	3023845	1583486	212425	360950	2937255	3848787	3767218	4267446
LPC 19:0/0:0	14091	4638	236294	393909	177323	94599	156429	722606	213565	823186	515305	157014	173051	143340	141719	152916	240644	119099	55289	138304	225218	316839	315752	355644
LPC 20:3	0	0	40063428	6037353	517945	130769	166439	1545782	3928785	13272713	14326972	658675	300477	1021298	1663838	2067540	1880288	522803	216122	510434	3331866	3910674	4097992	4429416
LPC 20:4	0	0	250719984	16433675	943549	230852	241778	4238036	7382074	57282824	54528016	645266	358810	2126586	2566599	3974356	6621496	1655845	633887	1101793	10828815	13825479	13316530	15069259
LPC 20:5	0	0	660792	97708	0	0	0	3844	4051	306170	179068	0	0	0	0	25919	76362	24311	0	0	19317	62398	49809	52376
LPC 22:5	0	0	3442746	519938	24813	3344	4189	141893	380946	1259993	1442817	43012	14573	92222	176742	220315	187751	63038	16487	64030	377368	402283	421419	486298
LPC o-16:0	3289	3413	1206945	989224	65812	95561	302092	263593	185693	419511	503242	541449	398926	142939	323064	792262	195316	73277	29849	323431	742638	918490	895547	1058332
LPC O-18:0	0	0	471576	254306	0	15725	92816	122197	70702	145054	169122	170949	133864	52414	94860	235236	55613	11584	0	90592	246052	328319	347261	345333
LPC O-18:1	0	0	149979	113211	0	0	7057	74246	50378	166388	131816	60161	72276	6419	53724	109344	21920	4295	4106	65943	80870	104921	106687	106086
LPE 17:0	34998	20202	154480	337820	257305	218538	480794	519494	136278	246579	154005	331579	257775	86419	110301	150426	162519	128833	43692	178055	395009	432254	441456	489081
LPE 18:0	43222	33266	4952782	7527776	3798304	2002048	2569059	24802862	3834495	9595382	2711400	2802422	3401895	1542848	2086618	1325107	4016849	639667	683566	1382749	3546820	4699721	4870143	4963594
LPE 18:1	107140	81002	899983	3121278	3088200	1226247	2510206	4300888	857308	2606036	1093490	1797514	1949478	588402	623673	770714	2449844	498574	435683	663858	1289285	1531218	1507687	1764574
MGDG 36:3|MGDG 18:1_18:2	0	0	0	0	6581	0	0	38362	0	0	96165	13243	0	161836	9273	12987	0	7310	0	0	27036	55710	79445	78469
NAGly 42:5|NAGly 18:1/24:4	0	0	5622	104018	5814	0	143780	612008	180532	421404	1297309	1314490	220884	126359	957614	212494	102769	0	0	0	374325	404132	484151	536386
NAGly 42:6|NAGly 18:2/24:4	0	0	315739	555645	51360	26738	169107	107868	11913	145179	274754	261036	55659	7578	89428	0	50327	0	0	0	136177	151748	185656	161489
PC 28:0	0	0	24138	156560	113451	10136	13387	34070	10142	554611	254221	6371	0	0	7844	103906	1879192	954069	0	8139	114450	162665	165203	172130
PC 31:0	0	0	272182	689541	261103	64496	205899	132372	110999	2055324	1001639	78428	112769	27091	112878	662016	1874686	782242	0	21788	170270	199946	274884	323770
PC 32:0	515093	482084	15141213	29547486	8321278	2890225	8696820	5347590	4157000	29840352	21726984	4818396	5841788	3593921	3894936	18992626	28638528	12391875	265689	1791459	5204838	8914646	7671243	8933185
PC 32:1	0	0	1238463	14162538	15268773	1173426	2826406	2503538	1153200	121046048	44088412	734626	1031196	324182	1035040	11503619	27077344	7071162	5747	11652	4966110	6592050	8855008	8708538
PC 32:2	0	0	5332	291634	2171593	87712	59568	74861	27536	12119169	1283197	0	0	0	5422	254622	3602294	754793	0	0	485782	648863	756932	893921
PC 32:3	0	0	408381	1090704	432524	71487	227102	104737	96412	1797822	1345341	41360	55811	21168	63858	555873	1901802	701434	0	9586	278669	244721	377696	445743
PC 33:0	0	0	331446	668971	351433	107104	208866	175899	112667	2578171	1067335	171382	233480	71190	139404	693144	1166039	376972	0	8400	199275	259874	274401	305962
PC 33:2	0	0	0	214642	1308916	62695	56147	56722	5865	9441956	875162	0	0	0	0	218154	3454876	639172	0	0	340712	488252	565345	604422
PC 34:0	20896	18089	378231	558405	215618	88100	226348	273994	162236	785319	485125	135859	216400	138494	164984	519121	1694365	755524	31894	105051	235805	391058	360505	376267
PC 34:1	5882	4842	793936	14464554	19673974	1520950	2859517	3246273	1822713	17158254	20771192	693879	1022021	569012	1276871	13647823	21695608	12317676	7966	24367	6276478	9726646	9773750	10938619
PC 34:2	395182	350509	5038008	50238988	258376688	17501118	14460416	15760801	5740035	1234574208	166250432	1019634	3153290	1188115	830045	38162184	568310016	138593920	61323	40136	72528104	107715744	117302624	145888560
PC 34:3 (PC 16:0_18:3)	0	7431	17653	885983	9196064	666506	815281	2310378	928677	40830392	17848910	111823	251196	479023	656848	7105922	12034708	5655654	10397	6656	2485386	3011146	3399300	4159802
PC 35:1	0	0	97778	617518	845785	118088	204623	259026	181441	4447318	1525099	62445	114967	59560	110772	875213	1784118	682286	0	5456	295407	432585	435302	501469
PC 35:2	0	0	10489	578576	2506129	203762	459310	398167	146642	17065088	4090656	89260	195583	15729	133839	1405437	3813162	729096	0	0	1187133	1536591	1600762	1752175
PC 35:3	0	0	0	147530	1156532	21612	42957	113596	31588	5641184	885289	71038	101289	0	37351	248398	2582716	356118	0	0	379396	467983	596794	664887
PC 36:1	28971	12482	257595	2250108	3428481	389951	896898	1188244	649627	17924050	4682706	231973	380961	193248	323172	2223088	7014495	2080424	0	5755	1117805	1666179	1808211	2151768
PC 36:2	106625	94166	377416	3868077	20017714	1235206	1377860	2540266	925788	181724464	12701731	234170	839017	137052	318265	4147118	63699388	7780091	0	5501	6515153	7329077	8864348	9462123
PC 36:3	2347	18454	48098	3078398	24896160	1509021	2147581	5359468	2903786	157829024	63886236	407121	973208	1092422	1680140	24951708	43427224	14829138	0	0	6171254	8828403	10052746	11458779
PC 36:4	33854	11374	31436	1049610	94117648	1223238	1147430	7540796	964541	419802400	94207400	67458	262293	981535	212243	16683041	137407712	41935232	0	0	14193097	18808544	21536530	23563204
PC 36:4 (PC 18:2_18:2)	5281	0	11486	314430	8028054	148445	130676	377696	106632	33575664	3142045	7675	76156	29127	25840	1164472	8993332	1763833	0	0	1388476	2185005	2186228	2370038
PC 36:5	0	0	5687	100055	10305183	138051	123674	891683	126500	43754752	8676510	0	9437	116563	6757	2105228	13591599	3899063	5030	0	1844638	2430452	2808506	3275555
PC 38:2	0	0	14603	267349	199660	31091	103488	99381	54723	1007268	606046	7162	59069	8139	33543	443363	335529	154756	0	0	117072	131468	172158	157453
PC 38:4	6486	0	0	187114	8456397	133686	172232	943952	131835	38976148	7943912	0	33172	117742	17334	1957606	14090701	3578634	0	0	1475991	1878176	2425939	2385027
PC 38:5	0	0	0	8320	948381	6391	0	170964	17981	1834554	1658806	0	0	28482	0	388961	1213715	514668	0	0	212616	265822	328862	365286
PC 38:6	5483	0	39839	1194788	76646776	1645361	1787150	9795860	2161692	148942144	75115848	66145	354486	1420844	1057836	18520436	57563664	24912212	0	0	14753354	16793862	21334702	20781818
PC 38:7	0	0	0	0	510581	0	14524	67892	0	900663	382590	6559	0	23315	0	66093	485326	319736	0	0	83235	123972	179742	194384
PC 40:6	0	0	0	22884	2990326	68521	89155	465882	117522	5415104	3056304	0	6992	49410	42174	974645	1699504	774348	0	0	354351	491412	556474	630937
PC 40:7	0	0	0	13746	3216202	23118	6967	567112	149160	7372281	2418284	0	24792	188922	53878	525298	2686636	1049645	0	0	577530	784820	890086	1089060
PC o-32:0	0	0	148431	184828	18355	0	87475	61731	0	25205	121537	112029	185689	76744	133265	386588	48213	19103	0	16716	49225	98667	112955	120790
PC p-38:4/PC o-38:5	0	0	6499	27600	70366	7442	92857	159966	120807	678258	1208090	184737	261990	89807	348412	1391740	97038	43023	0	0	158579	187927	244735	256549
PC p-38:5/PC o-38:6	0	0	0	6856	15161	0	6224	8453	6351	286809	277856	14313	21856	5519	12858	206617	72893	22566	0	0	8822	29524	35111	47956
SHexCer 34:1;3O|SHexCer 18:1;2O/16:0;O	0	0	0	38131	0	0	30924	107383	108897	107435	117690	279142	305210	101647	377155	246358	6561	5867	0	11384	125176	136287	137144	166932
SHexCer 42:1;3O|SHexCer 18:1;2O/24:0;O	0	0	0	12510	0	0	12830	69896	60331	66203	75930	127246	137151	32505	250556	122396	6270	0	0	11813	39256	64168	102558	96589
SM 42:2;2O	0	6400	788137	575901	172609	73181	237758	454912	17912	64237	8014	0	103492	56667	0	0	206307	0	0	0	179142	131887	244524	290538
SM d32:0	0	0	24754	24713	0	0	0	28981	0	0	0	0	4628	0	0	0	333857	25676	0	0	5639	9028	19268	29601
SM d32:1	0	5894	1222930	669977	284284	127635	331261	856374	43129	148804	20402	36598	69788	71139	30205	6606	532495	22087	0	0	184388	213329	250512	320462
SM d33:1	12025	5688	452739	327561	123001	38615	184251	337421	75586	212111	328852	190629	117638	89360	120066	187328	446349	63849	0	18157	195578	224970	274372	319994
SM d34:0	33438	17817	800463	1087158	361055	103098	518640	826522	124609	506356	186435	200846	445754	225136	140947	361811	583998	65972	0	6197	253420	339443	375341	412037
SM d34:1	292248	328565	5332195	4650500	1303218	731328	2240328	4801746	492008	909248	351020	682314	1165147	741592	470872	585005	2106903	221055	18591	43135	1193881	1669799	1856415	2066217
SM d34:2	0	0	615063	341785	135496	30828	133474	273053	0	53208	8819	6670	0	15827	11419	0	140839	8105	0	0	60813	106811	117812	125154
SM d36:0	0	0	98773	129139	20897	7508	67949	59366	0	12255	0	22557	120656	8766	0	25037	31712	0	0	0	14352	21428	18721	24796
SM d36:1	0	7204	232833	137542	41446	13694	63879	70598	5373	0	8893	11857	11693	0	0	0	34557	0	0	0	19799	39313	54689	33669
SM d36:2	0	0	1386239	954571	248887	105086	378354	503097	0	62757	14834	20184	28138	38690	0	11437	244948	0	0	0	223027	242623	325639	348845
SM d38:0	0	0	44954	76611	9099	0	9513	11921	0	0	0	0	18411	0	0	5988	309952	31245	0	0	7890	13058	13397	39372
SM d38:1	0	0	540389	384378	165868	77444	225849	333439	7795	38926	0	31469	64064	28118	6101	13133	586477	26567	0	0	111267	137644	207368	200856
SM d38:2	0	0	158845	154336	10241	0	17344	19391	0	0	0	0	0	0	0	0	85279	0	0	0	10039	0	14178	30368
SM d39:1	0	0	226715	129950	52012	5853	45683	334243	6323	17831	0	7001	13991	0	12335	0	542148	16908	0	0	51931	71924	98569	94843
SM d40:0	0	0	26284	55540	0	6235	19722	0	0	0	0	0	0	0	0	6920	234597	28810	0	0	0	30113	0	35006
SM d40:1	0	0	722424	636090	252165	97454	310568	638139	94463	72348	15721	115332	123494	106459	44618	30742	893407	67561	0	0	196623	240717	374197	331383
SM d40:2	0	0	256907	173449	39462	19223	63969	115309	0	12173	0	0	0	0	0	0	129369	0	0	0	18374	25837	34487	53205
SM d41:1	0	0	331448	302518	115442	36960	133470	674362	62752	24562	0	35702	30071	35247	45430	12065	583246	23488	0	0	92262	149600	168060	206475
SM d42:1	0	0	461954	488336	191153	85711	251738	489647	30257	61449	27139	58627	121828	42952	43876	40596	343936	8197	0	0	123168	170707	197819	214928
SM d42:3	0	0	234456	154242	47244	6211	64014	91519	0	7539	0	0	0	0	0	0	16805	0	0	0	22102	39351	63023	65385
SPB 18:0;2O	59538	48892	72500	144249	124425	59912	130846	147245	83397	341393	430690	650362	643946	174294	170503	586258	210356	109185	61536	159988	221124	191470	101694	94475
TG 42:0	0	30646	0	16167	0	0	0	8040	10896	0	63578	0	0	23698	0	0	16654	21711	0	65549	6734	63820	14594	23464
TG 42:1	0	0	0	0	0	0	0	84963	33839	0	7949	0	0	60938	7518	0	0	0	0	8314	136160	200163	235776	223465
TG 44:0	20825	11718	0	21275	26525	7610	8023	7709	0	12052	6513	15675	0	9203	0	16498	9608	17672	0	65409	11838	48663	35766	53391
TG 44:1	0	7160	6617	0	0	0	0	0	0	6804	0	0	0	0	0	0	0	0	0	111026	0	30736	33836	26246
TG 46:1	7135	6960	0	9693	0	0	7238	9540	7099	7964	0	9021	0	0	6568	8805	0	0	6660	158032	70957	92650	99835	128647
TG 48:1|TG 14:0_16:0_18:1	11424	11691	6815	0	15829	7767	12268	619789	8461	8136	8924	13170	8005	6915	8605	17996	7988	6336	7709	208404	138881	232171	241977	294624
TG 48:2	16146	9055	8482	6105	0	0	17574	15870	6554	0	10915	0	7534	14393	7589	13775	14452	12961	16726	223723	25536	48953	65625	92023
TG 48:2|TG 12:0_18:1_18:1	0	0	0	0	0	0	6653	217141	0	0	0	0	0	31955	0	4644	0	6956	9899	73858	295353	368634	450843	438998
TG 48:2|TG 14:0_16:0_18:2	0	5787	0	0	0	0	0	148072	0	0	0	0	0	8594	0	0	0	0	0	58264	146974	202625	216883	267570
TG 49:1	12977	8849	20125	7470	0	9664	0	151142	7027	10997	14757	8052	5823	6616	0	7012	6758	6908	21292	110529	22373	45802	70811	67526
TG 50:0|TG 16:0_16:0_18:0	27193	31530	19762	19476	8183	0	22032	187108	19062	12579	9147	34436	129493	90023	67952	34225	46698	14175	33369	72118	97674	304755	378177	295192
TG 50:1|TG 16:0_16:0_18:1	53294	19295	42466	15808	8165	15757	11076	35983076	51695	24831	53312	38229	20707	654416	69556	58978	19184	9087	40032	128843	1240570	1647541	2025863	2470988
TG 50:2|TG 14:0_18:1_18:1	13274	15027	0	24526	0	9764	16447	3122666	14867	0	0	6468	8636	247771	8039	12888	15804	14348	39457	157467	599437	898224	1057661	1254567
TG 50:2|TG 16:0_16:0_18:2	54885	55845	6257	24526	20560	9764	16447	807223	22028	22047	0	6468	17425	247771	8039	12888	15804	14348	39457	165764	599437	898224	1057661	1254567
TG 50:3|TG 14:0_18:1_18:2	7199	0	0	0	0	0	0	1214903	0	0	0	0	0	55178	0	0	0	0	0	4043	260810	400177	388269	452045
TG 50:3|TG 16:0_16:0_18:3	0	0	0	0	8678	0	6290	265831	0	0	6730	0	0	15519	0	6872	0	0	0	62579	33162	89930	68640	80637
TG 52:1|TG 16:0_18:0_18:1	35459	78872	26417	27281	26882	32262	22220	1557593	48170	22861	33997	17960	15721	263174	0	30036	43615	29484	37922	79570	463953	511752	581775	644632
TG 52:2|TG 16:0_18:0_18:2	78772	51441	42187	30719	43888	36568	24182	281336096	371776	93459	155126	52641	29368	5559642	245418	50346	24807	20529	82920	101780	8333320	12673676	14817022	17545528
TG 52:3	32173	61730	8972	23647	46438	12980	11317	7212919	179652	38297	81552	10025	23854	1898528	21611	23049	29640	36957	87953	128099	2066863	2359025	2889749	3213382
TG 52:3|TG 16:0_18:1_18:2	23347	24984	0	0	31036	9164	0	103582320	103110	17652	20052	0	8606	2094950	22766	17268	8181	10130	53795	72160	2127058	2627726	3148921	3524800
TG 52:4|TG 16:0_18:2_18:2	21064	11634	0	0	11441	0	0	10285595	0	0	0	0	0	342562	0	0	0	0	7633	23263	240398	394079	408499	524271
TG 52:4|TG 16:1_18:1_18:2	70191	40340	0	0	44016	9910	12791	5462728	8201	13292	7738	0	0	621904	7913	0	6886	0	48605	92373	574634	702377	777406	900367
TG 53:4|TG 17:1_18:1_18:2	9213	17294	15802	15785	10402	7714	9352	763240	12670	0	12514	16815	10729	64518	20497	7189	18806	12959	10562	7425	52446	46967	89428	84999
TG 54:2|TG 16:0_20:0_18:2	18662	8080	0	10698	0	7007	0	7582052	83902	20674	30624	0	7617	1182233	9220	9786	0	12533	68246	15932	1682199	1866384	2418021	2465270
TG 54:3|TG 18:0_18:1_18:2	86074	75520	38971	54108	51932	51195	36748	10146652	1556880	114994	329836	21924	24533	6971126	144991	91726	51109	34908	346148	121771	5447722	8034234	10882347	10404968
TG 54:4|TG 18:0_18:1_18:3	47281	30505	19431	7514	37837	27623	19292	13486844	178624	85805	34858	0	0	2560409	7695	4147	0	18361	116226	122438	1699313	6255637	7271620	7930717
TG 54:4|TG 18:1_18:1_18:2	28493	18047	0	0	8613	0	7566	265944160	334878	21018	136343	0	10607	8757466	116793	8125	0	7739	59878	37939	5142619	6744608	7815482	8531696
TG 54:5	0	7225	0	0	6948	0	0	1227880	24665	0	12323	0	0	779205	8392	0	0	0	14960	21587	368848	571337	627416	724539
TG 54:5|TG 18:0_18:2_18:3	16490	0	0	0	47569	0	6519	4677756	24824	0	42277	7125	17841	649246	0	7328	0	0	0	10777	279771	473352	621909	799175
TG 54:5|TG 18:1_18:2_18:2	28935	18974	0	19465	54520	14389	11120	10236230	202425	15239	42277	7125	17841	3280726	49917	7328	6527	0	156587	87012	1533684	2229175	2473206	2812888
TG 54:6|TG 18:1_18:2_18:3	17843	0	0	0	131303	0	13768	4337130	18617	0	12779	0	0	775152	0	7393	0	0	70554	67812	345077	399883	510485	557041
TG 56:1|TG 16:0_22:0_18:1	0	0	0	0	0	0	10248	1270399	0	0	0	0	0	35593	0	0	7627	0	8365	27287	20703	42977	87582	102817
TG 56:3|TG 20:0_18:1_18:2	0	0	0	0	0	0	0	16880808	284624	10751	55238	0	0	3991539	22563	0	0	0	13323	0	2698570	4579900	6665902	7265118
TG 56:6|TG 18:1_18:1_20:4	0	0	0	0	12517	0	0	958834	57537	0	14842	0	0	105860	8288	0	0	0	0	0	141983	148373	174948	186946
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	average m/z	retention time
ACar 10:0	316.2496	0.549
ACar 10:1	314.2337	0.503
ACar 12:0	344.281	0.711
ACar 14:2	368.281	0.674
ACar 16:0	400.3438	1.61
ACar 18:0	428.3752	2.417
ACar 18:1	426.3593	1.783
ACar 18:2	424.3438	1.342
ACar 18:3	422.328	1.055
ACar 8:1	286.2025	0.456
ACar 11:1	328.2495	0.548
ACar 13:0	358.2966	0.758
ACar 13:1	356.2809	0.696
ACar 14:0	372.3122	1.051
ACar 15:2	382.2968	0.716
ACar 16:1	398.328	1.193
ACar 16:2	396.3124	0.927
ACar 16:3	394.2967	0.758
ACar 16:4	392.2809	0.674
ACar 20:1	454.3909	2.567
ACar 9:0	302.2339	0.489
CE 16:0	647.5756	11.023
CE 16:1	645.5615	10.477
CE 18:1	673.5922	11.008
CE 18:2	671.5769	10.544
CE 18:3	669.5611	10.125
CE 20:3	697.5927	10.623
CE 20:4	695.577	10.286
CE 20:5	693.5618	9.869
CE 22:6	719.577	10.045
Ceramide 32:1;2O|Ceramide 16:1;2O/16:0	510.4901	5.045
Ceramide 33:1;2O|Ceramide 17:1;2O/16:0	524.506	5.378
Ceramide 34:0;2O|Ceramide 18:0;2O/16:0	540.5375	5.953
Ceramide 36:2;2O|Ceramide 18:1;2O/18:1	564.5374	5.815
Ceramide d38:1	594.5848	7.116
Ceramide d40:1	622.6161	7.777
Ceramide d41:1	636.6319	8.095
Ceramide d42:1	650.648	8.408
Cholesterol	369.3531	4.93
DAG 32:1	584.5273	6.349
DAG 34:1	612.5588	7.028
DAG 34:2	610.543	6.486
DAG 36:2	638.5747	7.089
DAG 36:3	636.5589	6.553
DAG 36:4	639.4985	6.002
DAG 36:5	637.4829	5.552
DAG 38:5	660.5591	6.398
DAG 38:6	663.4989	5.874
DG 26:0	507.4042	4.943
DG 28:0	535.4356	5.607
DG 30:0|DG 14:0_16:0	558.5117	6.28
DG 30:1	561.4514	5.668
DG 32:0|DG 16:0_16:0	586.5432	6.965
DG 32:2|DG 16:0_16:2	582.5118	5.806
DG 33:0	605.5141	7.301
DG 33:1	603.4985	6.687
DG 34:0|DG 16:0_18:0	614.5747	7.636
DG 34:4|DG 16:1_18:3	606.512	5.436
DG 35:1|DG 17:0_18:1	626.5746	7.36
DG 35:2|DG 17:1_18:1	624.559	6.753
DG 35:3	627.4986	6.225
DG 36:0|DG 18:0_18:0	642.6058	8.269
DG 36:1|DG 18:0_18:1	640.5901	7.027
DG 38:1	673.5768	8.327
DG 38:3	669.5456	7.195
DG 38:4|DG 18:1_20:3	662.5754	6.718
DG 40:7	689.5146	6.197
DGDG 36:3|DGDG 18:1_18:2	960.6669	5.196
DGDG 36:4|DGDG 18:2_18:2	958.6506	4.745
Gal-Gal-Cer d18:1/16:0 or Lactosylceramide d18:1/16:0	862.629	4.878
GlcCer d42:1	834.6829	7.746
GlcCer d42:2	832.6672	7.074
HexCer 34:0;4O|HexCer 18:0;3O/16:0;(2OH)	734.5806	4.645
HexCer 34:1;3O|HexCer 18:1;2O/16:0;O	716.5699	4.911
HexCer 34:1;4O|HexCer 18:1;3O/16:0;(2OH)	732.5647	4.352
HexCer 34:2;3O|HexCer 18:2;2O/16:0;O	714.5544	4.555
HexCer 38:2;3O|HexCer 18:2;2O/20:0;O	770.6176	5.843
HexCer 40:0;4O|HexCer 18:0;3O/22:0;(2OH)	818.6752	6.637
HexCer 40:1;3O|HexCer 18:1;2O/22:0;O	800.6649	6.913
HexCer 40:1;4O|HexCer 18:1;3O/22:0;(2OH)	816.6597	6.259
HexCer 41:0;4O|HexCer 18:0;3O/23:0;(2OH)	832.6908	6.972
HexCer 42:0;4O|HexCer 18:0;3O/24:0;(2OH)	846.7069	7.301
HexCer 42:1;3O|HexCer 18:1;2O/24:0;O	828.6962	7.564
HexCer 42:1;4O|HexCer 18:1;3O/24:0;(2OH)	844.6912	6.934
HexCer 44:1;3O|HexCer 20:1;2O/24:0;O	856.7283	8.176
Lactosylceramide d18:1/24:1 15Z	972.7382	6.794
LPC 17:1	508.3416	1.29
LPC 20:0	552.4049	3.081
LPC 20:1	550.3892	2.38
LPC 20:2	548.3731	1.786
LPC 22:4	572.3741	1.625
LPC 22:6	590.3242	1.105
LPC 12:0/0:0	440.2789	0.651
LPC 14:0	468.3106	0.936
LPC 15:0	482.326	1.158
LPC 16:0	496.3415	1.444
LPC 16:1	494.3259	1.048
LPC 16:2/0:0	492.3106	0.759
LPC 18:0	524.3729	2.229
LPC 18:1	522.3572	1.599
LPC 18:2	520.3413	1.191
LPC 18:3	518.3262	0.927
LPC 19:0/0:0	538.3893	2.71
LPC 20:3	546.3575	1.397
LPC 20:4	544.3415	1.161
LPC 20:5	564.308	0.896
LPC 22:5	570.3575	1.268
LPC o-16:0	482.3624	1.72
LPC O-18:0	510.394	2.611
LPC O-18:1	508.3783	2.526
LPE 17:0	468.3105	1.849
LPE 18:0	482.326	2.285
LPE 18:1	480.3103	1.636
MGDG 36:3|MGDG 18:1_18:2	798.6123	5.685
NAGly 42:5|NAGly 18:1/24:4	698.5749	5.459
NAGly 42:6|NAGly 18:2/24:4	696.5596	4.96
PC 28:0	678.5094	4.327
PC 31:0	720.5563	5.214
PC 32:0	734.5726	5.548
PC 32:1	732.5566	4.971
PC 32:2	730.5413	4.538
PC 32:3	728.5228	4.914
PC 33:0	748.5884	5.757
PC 33:2	744.5569	4.829
PC 34:0	762.6041	6.207
PC 34:1	782.5696	5.609
PC 34:2	758.5725	5.133
PC 34:3 (PC 16:0_18:3)	756.5571	4.815
PC 35:1	774.6046	5.927
PC 35:2	772.5884	5.447
PC 35:3	770.5728	4.91
PC 36:1	788.6201	6.279
PC 36:2	786.6042	5.77
PC 36:3	784.5886	5.301
PC 36:4	782.5726	5.04
PC 36:4 (PC 18:2_18:2)	782.5728	4.743
PC 36:5	780.5572	4.648
PC 38:2	814.6358	6.365
PC 38:4	810.6042	5.669
PC 38:5	830.5698	5.094
PC 38:6	806.5731	4.9
PC 38:7	804.5572	4.405
PC 40:6	834.6046	5.501
PC 40:7	832.5889	4.938
PC o-32:0	720.5931	5.951
PC p-38:4/PC o-38:5	794.6089	5.452
PC p-38:5/PC o-38:6	792.5929	5.227
SHexCer 34:1;3O|SHexCer 18:1;2O/16:0;O	796.5276	4.095
SHexCer 42:1;3O|SHexCer 18:1;2O/24:0;O	908.6541	6.39
SM 42:2;2O	813.6877	6.824
SM d32:0	677.5623	4.422
SM d32:1	675.5462	4.224
SM d33:1	689.562	4.514
SM d34:0	705.5934	5.052
SM d34:1	703.578	4.823
SM d34:2	701.5616	4.323
SM d36:0	733.6253	5.727
SM d36:1	753.5907	5.483
SM d36:2	729.5933	4.93
SM d38:0	761.6564	6.408
SM d38:1	759.6409	6.172
SM d38:2	757.6237	5.58
SM d39:1	773.6564	6.522
SM d40:0	789.688	7.101
SM d40:1	787.6723	6.852
SM d40:2	785.6562	6.266
SM d41:1	801.6877	7.177
SM d42:1	815.7043	7.514
SM d42:3	811.672	6.258
SPB 18:0;2O	302.3065	1.494
TG 42:0	745.6347	9.588
TG 42:1	738.6637	9.072
TG 44:0	768.71	10.074
TG 44:1	771.6509	9.634
TG 46:1	794.727	10.099
TG 48:1|TG 14:0_16:0_18:1	822.7581	10.56
TG 48:2	825.6979	10.217
TG 48:2|TG 12:0_18:1_18:1	825.6979	10.129
TG 48:2|TG 14:0_16:0_18:2	820.7425	10.133
TG 49:1	836.7739	10.764
TG 50:0|TG 16:0_16:0_18:0	852.8057	11.335
TG 50:1|TG 16:0_16:0_18:1	850.7899	10.97
TG 50:2|TG 14:0_18:1_18:1	853.7294	10.557
TG 50:2|TG 16:0_16:0_18:2	853.7291	10.596
TG 50:3|TG 14:0_18:1_18:2	851.7136	10.177
TG 50:3|TG 16:0_16:0_18:3	851.7137	10.259
TG 52:1|TG 16:0_18:0_18:1	883.7767	11.351
TG 52:2|TG 16:0_18:0_18:2	876.8056	10.982
TG 52:3	879.7448	10.591
TG 52:3|TG 16:0_18:1_18:2	874.7901	10.616
TG 52:4|TG 16:0_18:2_18:2	872.7742	10.246
TG 52:4|TG 16:1_18:1_18:2	877.7289	10.238
TG 53:4|TG 17:1_18:1_18:2	886.79	10.419
TG 54:2|TG 16:0_20:0_18:2	909.7917	11.367
TG 54:3|TG 18:0_18:1_18:2	907.7761	10.995
TG 54:4|TG 18:0_18:1_18:3	905.7603	10.689
TG 54:4|TG 18:1_18:1_18:2	900.8058	10.635
TG 54:5	919.7194	10.291
TG 54:5|TG 18:0_18:2_18:3	903.7452	10.347
TG 54:5|TG 18:1_18:2_18:2	903.7447	10.276
TG 54:6|TG 18:1_18:2_18:3	901.7286	9.894
TG 56:1|TG 16:0_22:0_18:1	934.8841	11.947
TG 56:3|TG 20:0_18:1_18:2	930.8519	10.997
TG 56:6|TG 18:1_18:1_20:4	929.7613	10.494
METABOLITES_END
#END