#METABOLOMICS WORKBENCH belielen_20190924_052541 DATATRACK_ID:1821 STUDY_ID:ST001253 ANALYSIS_ID:AN002080 PROJECT_ID:PR000840
VERSION             	1
CREATED_ON             	September 25, 2019, 12:54 pm
#PROJECT
PR:PROJECT_TITLE                 	Phenotyping blood metabolites in day and night in type 2 diabetes
PR:PROJECT_SUMMARY               	Our hypothesis is that diabetes leads to differential regulation of circulating
PR:PROJECT_SUMMARY               	metabolites during the day and the night. We performed an untargeted global
PR:PROJECT_SUMMARY               	metabolomics study of plasma murine samples collected from 10-month old control
PR:PROJECT_SUMMARY               	(db/m) and type 2 diabetic (db/db) mice (n=3). Plasma was collected in EDTA
PR:PROJECT_SUMMARY               	tubes at a day (ZT5) and at a night (ZT17) timepoint and was frozen. Samples
PR:PROJECT_SUMMARY               	were shipped on dry ice and analyzed by Metabolon Inc with their untargeted
PR:PROJECT_SUMMARY               	global metabolomic platform and using UPLC- MS/MS to detect metabolites.
PR:INSTITUTE                     	Indiana University School of Medicine
PR:DEPARTMENT                    	Ophthalmology
PR:LABORATORY                    	Maria Grant Laboratory
PR:LAST_NAME                     	Beli
PR:FIRST_NAME                    	Eleni
PR:ADDRESS                       	97 Lisburn Road
PR:EMAIL                         	e.beli@qub.ac.uk
PR:PHONE                         	2890976461
PR:FUNDING_SOURCE                	NIH- NIE
PR:PUBLICATIONS                  	Nutrients.2019. Beli E. Loss of diurnal oscillatory rhythms in gut microbiota
PR:PUBLICATIONS                  	correlates with changes in circulating metabolites in type 2 diabetic, db/db
PR:PUBLICATIONS                  	mice
#STUDY
ST:STUDY_TITLE                   	Phenotyping Mouse blood metabolites in day and night in type 2 diabetes
ST:STUDY_TYPE                    	time course in a 24hr period
ST:STUDY_SUMMARY                 	This experiment compares the metabolites in control db/m and diabetic db/db in
ST:STUDY_SUMMARY                 	day and night.
ST:INSTITUTE                     	Indiana University School of Medicine
ST:DEPARTMENT                    	Ophthalmology
ST:LABORATORY                    	Maria Grant Laboratory
ST:LAST_NAME                     	Beli
ST:FIRST_NAME                    	Eleni
ST:ADDRESS                       	97 Lisburn Road
ST:EMAIL                         	e.beli@qub.ac.uk
ST:PHONE                         	5176144409
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	15
ST:NUM_MALES                     	15
ST:PUBLICATIONS                  	Nutrients.2019. Beli E. Loss of diurnal oscillatory rhythms in gut microbiota
ST:PUBLICATIONS                  	correlates with changes in circulating metabolites in type 2 diabetic, db/db
ST:PUBLICATIONS                  	mice
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	db/db
SU:AGE_OR_AGE_RANGE              	10 months
SU:WEIGHT_OR_WEIGHT_RANGE        	70-80gr
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	Jackson B6.BKS(D)-Leprdb/J (stock number:000697) homozygous db/db mice
SU:ANIMAL_HOUSING                	Indiana University LARC
SU:ANIMAL_LIGHT_CYCLE            	12:12
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	6924	diabetes:db/db | time of day:ZT5	
SUBJECT_SAMPLE_FACTORS           	-	6914	diabetes:db/db | time of day:ZT5	
SUBJECT_SAMPLE_FACTORS           	-	6991	diabetes:db/db | time of day:ZT5	
SUBJECT_SAMPLE_FACTORS           	-	5111	diabetes:db/db | time of day:ZT5	
SUBJECT_SAMPLE_FACTORS           	-	7001	diabetes:db/m | time of day:ZT5	
SUBJECT_SAMPLE_FACTORS           	-	7002	diabetes:db/m | time of day:ZT5	
SUBJECT_SAMPLE_FACTORS           	-	7003	diabetes:db/m | time of day:ZT5	
SUBJECT_SAMPLE_FACTORS           	-	7004	diabetes:db/m | time of day:ZT5	
SUBJECT_SAMPLE_FACTORS           	-	7005	diabetes:db/m | time of day:ZT5	
SUBJECT_SAMPLE_FACTORS           	-	6541	diabetes:db/db | time of day:ZT17	
SUBJECT_SAMPLE_FACTORS           	-	2891	diabetes:db/db | time of day:ZT17	
SUBJECT_SAMPLE_FACTORS           	-	2831	diabetes:db/db | time of day:ZT17	
SUBJECT_SAMPLE_FACTORS           	-	7011	diabetes:db/m | time of day:ZT17	
SUBJECT_SAMPLE_FACTORS           	-	7022	diabetes:db/m | time of day:ZT17	
SUBJECT_SAMPLE_FACTORS           	-	7021	diabetes:db/m | time of day:ZT17	
#COLLECTION
CO:COLLECTION_SUMMARY            	Upon euthanasia, blood was collected via cardiac puncture in EDTA tubes and
CO:COLLECTION_SUMMARY            	stored on ice until plasma isolation. Plasma isolation was done at 4oC for 20
CO:COLLECTION_SUMMARY            	min 800g. Plasma immediately was frozen in liquid ntirogen and stored at -80oC
CO:COLLECTION_SUMMARY            	until sended to Metabolon Inc
CO:SAMPLE_TYPE                   	Blood (plasma)
CO:COLLECTION_METHOD             	cardiac puncture
CO:COLLECTION_LOCATION           	INDIANAPOLIS
CO:COLLECTION_DURATION           	1hr
CO:VOLUMEORAMOUNT_COLLECTED      	500ul
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	EDTA vials
CO:STORAGE_VIALS                 	0.5ml microcentrifuge tubes
CO:COLLECTION_TUBE_TEMP          	ice
#TREATMENT
TR:TREATMENT_SUMMARY             	Animals were fed ad lib for 10 months with chow diet (2018SX, Harlan, 18%
TR:TREATMENT_SUMMARY             	protein, 5% fat, 5% fiber). We obtained plasma samples at ZT5 and ZT17. Mice
TR:TREATMENT_SUMMARY             	were held in Controlled-humidity, temperature and light environment facility at
TR:TREATMENT_SUMMARY             	Indiana University, Indianapolis
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Frozen tissues were kept in 0.5 ml round-bottomed Eppendorf tubes at -80oC and
SP:SAMPLEPREP_SUMMARY            	send to Metabolon Inc
SP:SAMPLEPREP_PROTOCOL_ID        	Metabolon
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Method
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:SAMPLE_RESUSPENSION           	100ul
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	LC/MS Pos Late: Waters Acquity , Reversed phase, BEH C18 (100 X2mm, 1.7um),
CH:CHROMATOGRAPHY_SUMMARY        	acidic positive ion conditions
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (100 x 2mm, 1.7um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Heated electrosplay ionization HESI-II
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	VolNormImp Area counts
MS_METABOLITE_DATA_START
Samples	6924	6914	6991	5111	7001	7002	7003	7004	7005	6541	2891	2831	7011	7022	7021
Factors	diabetes:db/db | time of day:ZT5	diabetes:db/db | time of day:ZT5	diabetes:db/db | time of day:ZT5	diabetes:db/db | time of day:ZT5	diabetes:db/m | time of day:ZT5	diabetes:db/m | time of day:ZT5	diabetes:db/m | time of day:ZT5	diabetes:db/m | time of day:ZT5	diabetes:db/m | time of day:ZT5	diabetes:db/db | time of day:ZT17	diabetes:db/db | time of day:ZT17	diabetes:db/db | time of day:ZT17	diabetes:db/m | time of day:ZT17	diabetes:db/m | time of day:ZT17	diabetes:db/m | time of day:ZT17
bilirubin (Z,Z)	0.5042	1.9141	3.2737	1.2995	0.0326	0.0326	0.0517	1.0798	0.9839	0.7687	0.427	1.0161	0.7309	0.5906	0.6892
biliverdin	1.2927	1.4894	1.0194	1.0495	0.271	0.2951	0.2497	1.1086	1.3166	0.7553	0.696	0.9282	0.7665	0.7034	0.7682
heme	2.1056	0.6974	0.0995	0.9475	2.1792	2.1133	2.3207	0.7284	0.9743	0.5227	1.5003	0.9329	0.9368	1.1239	0.8556
protoporphyrin IX	1.4374	1.0379	54.0862	2.1234	1.1134	1.065	2.7763	0.8635	0.7506	0.7076	0.7786	1.8184	0.557	0.3848	0.3848
alpha-tocopherol	1.5241	1.9276	2.0314	1.8471	0.4945	0.6616	0.5653	0.7835	0.7625	1.5825	1.624	2.1244	0.8836	0.9932	0.9082
gamma-tocopherol/beta-tocopherol	2.4973	2.4933	3.0518	2.6057	0.4432	0.532	0.6112	0.6468	0.5279	2.6222	1.6062	4.3202	0.3992	1.2171	0.8434
carotene diol (1)	1.4036	1.7053	1.333	0.7107	0.4532	0.6493	0.5547	0.6442	0.4832	1.305	1.0519	3.0147	0.7515	0.4502	0.6296
carotene diol (2)	1.0171	1.8796	0.4904	1.1027	0.1925	0.1925	0.1925	0.8349	0.3911	1.6531	0.9154	2.6977	0.9281	0.5287	0.8609
carotene diol (3)	0.5453	1.7976	0.0581	0.4252	0.0581	0.0581	0.0581	0.1687	0.0581	1.3363	0.4993	2.1239	0.4922	0.0581	0.1336
retinal	3.7451	2.0279	0.3977	0.3977	0.3977	0.3977	0.4909	1.7778	1.468	1.1704	1.144	0.9784	0.5787	0.909	1.2606
retinol (Vitamin A)	1.4525	2.6039	0.6853	0.1942	0.6335	0.6039	0.5841	1.1158	1.1746	1.8976	1.5694	0.8375	1.147	1.646	1.377
ceramide (d16:1/24:1, d18:1/22:1)	1.616	1.4686	1.5411	0.8113	1.418	1	1.5265	0.1272	0.6822	3.8018	0.3843	1.3036	0.7217	0.4525	0.349
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)	3.7067	1.7247	1.5201	4.3798	0.7994	0.9926	0.9423	0.798	0.811	2.8468	2.7336	1.5577	0.8039	0.7643	0.5866
ceramide (d18:2/24:1, d18:1/24:2)	1.9448	1.2141	3.4135	2.1997	1.3405	0.946	1.054	0.7115	0.8378	1.939	1.2198	2.1923	0.6424	0.5039	0.4274
N-behenoyl-sphingadienine (d18:2/22:0)	1.8671	0.7758	0.9265	1.5777	1.5707	1.2519	1.7566	0.7456	1.5484	1	2.0007	0.9121	1.0037	1.4204	1.1522
N-palmitoyl-sphingosine (d18:1/16:0)	4.6616	3.0017	2.4885	6.0049	0.6537	0.6603	0.5167	0.6055	0.7943	2.6143	2.3165	4.1391	0.6478	1.0151	0.7721
N-stearoyl-sphingosine (d18:1/18:0)	3.7647	3.1813	2.2794	5.0437	0.1354	0.1372	0.0686	0.2403	0.2613	1.6945	2.3745	1	0.057	0.0987	0.1057
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])	2.5096	0.5557	1.1031	3.6571	0.9752	0.6231	0.7079	0.8293	1.1175	1.2368	3.0558	5.1195	1	2.0727	1.6588
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]	1.0711	0.3511	0.9959	1.5859	0.8414	0.571	0.6605	1.1942	1.249	1.0041	3.0309	3.3234	1.4566	2.6452	1.5455
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]	1.8569	0.3825	2.0967	2.1681	0.7952	0.4681	1.1834	1.7565	1.959	1.4486	5.0119	4.2846	1.4176	2.9537	2.0106
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]	1.3772	1.0428	1.3045	0.8382	0.807	0.7267	0.5226	1.5657	1.3732	0.8684	3.5329	1.8967	1.4645	1.7527	1.0547
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]	0.4828	0.2654	0.2654	0.2654	1.1998	0.7985	1	2.0909	1.2922	0.2796	0.2654	0.7873	1.1849	1.0414	0.7839
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]	1.6845	0.6178	2.0586	0.8306	0.6599	1	0.4494	1.7421	1.5138	0.8377	5.7855	5.6809	2.4193	6.8612	4.5753
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]	1.7685	0.2259	2.7812	0.2259	0.6654	1	0.7258	2.2722	1.8743	0.5329	4.4668	2.7818	1.7688	5.7241	4.8394
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]	2.0621	0.7366	2.2546	1.6344	0.825	0.855	0.5734	2.0061	1.743	0.9199	5.1003	4.5421	1.9293	4.5344	3.6916
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]	3.0162	1.102	1.4254	2.1012	0.5958	0.3178	0.5967	0.652	0.9973	1.7803	3.7131	4.2466	0.5748	1.7772	1.0027
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	2.0849	1.3026	1.3833	2.7939	0.6718	0.6277	0.4645	1.115	1.0423	0.8262	4.8686	3.2475	1.1584	2.4458	1.837
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	3.3774	1.2521	2.0039	2.3273	0.7088	0.6483	0.5825	0.9908	1.0092	0.7708	4.634	2.6877	1.0422	2.2284	1.6776
oleoyl-oleoyl-glycerol (18:1/18:1) [1]	4.5264	4.0905	0.1447	4.9999	0.1447	0.1447	0.1447	0.2061	0.4015	0.1447	8.7878	4.1768	0.3333	0.9435	0.1996
oleoyl-oleoyl-glycerol (18:1/18:1) [2]	9.9803	3.9327	1.4553	6.8159	0.652	0.4434	0.3421	0.2399	0.303	0.8177	8.2071	3.8195	0.5481	1.2458	0.6273
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]	2.3229	1.1169	0.9989	1.5772	1.0889	0.69	0.5178	0.6407	0.8424	0.8566	3.7334	3.0835	0.9537	1.2879	0.5377
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]	0.2188	0.2188	0.2188	1.2389	0.2188	0.4303	0.2188	0.9326	1.0156	0.7751	0.2188	2.1479	0.2188	1.5513	1.0465
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]	1.8835	0.478	0.478	0.5848	0.478	0.478	0.478	0.478	0.478	0.478	1.1873	2.5979	0.478	0.9965	0.478
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]	1.9224	0.958	1.1906	2.3479	0.6224	0.6939	0.4161	1.0497	0.7094	1.0202	3.5653	4.1959	1.1359	2.4907	1.919
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]	2.8641	0.8131	1.8427	2.0479	0.7584	0.8515	0.7104	0.9798	0.7847	1.0697	4.0293	3.662	1.1798	2.6776	2.037
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]	3.4478	0.9462	0.9845	2.7122	0.1267	0.1267	0.1267	0.1397	0.1267	1.0155	2.9351	3.2297	0.3739	1.1781	0.6155
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]	2.5784	1.3362	0.2995	1.7526	0.2995	0.2995	0.3187	0.4316	1.9211	1.0911	1.481	3.4514	0.9088	1.0454	0.6748
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]	2.0142	0.9684	1.7504	1.1353	0.5559	0.958	0.1225	0.1225	0.1225	0.2342	3.8806	3.4386	0.818	2.4045	1.4325
N-palmitoyl-sphinganine (d18:0/16:0)	2.3494	0.968	1.4401	4.0737	0.5426	0.8874	1.2925	1.2826	1.2237	1.6731	2.2086	3.507	1.18	3.4912	2.8416
oleoyl ethanolamide	1.0986	1.5061	1.9118	1.3308	0.7988	0.7388	0.7063	0.9424	0.8977	0.9082	0.7493	1.0311	0.6608	0.5614	0.5086
arachidonoylcholine	0.1392	1.4788	0.1392	2.0058	0.7134	0.7605	0.4922	1.9643	3.4011	2.2154	0.3682	1.0161	0.9096	0.3036	0.3606
docosahexaenoylcholine	0.1269	0.5465	0.1269	1.1283	0.3576	0.2912	0.1269	1.1037	1.8367	0.7144	0.1269	0.1269	0.352	0.1269	0.1269
linoleoylcholine	0.1637	0.9706	0.1637	2.1277	0.5815	0.5203	0.439	3.7158	5.7554	0.9638	0.2368	0.6245	1.336	0.4461	0.5246
oleoylcholine	0.3012	0.9515	0.3012	1.2565	0.3012	0.3012	0.3012	0.8929	2.4235	1.2784	0.3012	0.9844	0.3012	0.3012	0.3012
palmitoylcholine	0.133	1.0241	0.133	1.7485	0.5995	0.5983	0.3432	2.4392	4.9804	1.3987	0.2623	0.8227	0.9759	0.3491	0.3918
stearoylcholine	0.2013	1.6615	0.2013	4.0645	0.5003	0.5482	0.2901	2.8637	4.8423	1.9788	0.47	0.8614	0.9561	0.257	0.4249
3-hydroxyoleoylcarnitine	1.1965	1.232	0.8205	0.8471	1.0281	0.6284	0.4538	0.2627	0.3742	0.983	1.0085	2.3198	0.782	0.6588	0.5174
3-hydroxypalmitoylcarnitine	0.9255	0.9275	1.4594	0.9083	1.3086	0.8655	0.6579	0.5407	0.7221	0.7675	1.0555	2.3165	1.2002	0.9903	1.0097
5-dodecenoylcarnitine (C12:1)	0.9222	0.5714	1.6532	1.221	0.8785	1.0777	1.0624	0.8918	0.7628	0.9523	0.9876	0.7995	1.6342	0.4664	0.523
arachidonoylcarnitine (C20:4)	0.8067	1.4495	1.4985	1.3622	1.1901	0.9969	1.1479	2.007	1.7466	0.7804	0.6069	0.9028	0.5389	0.3436	0.3494
arachidoylcarnitine (C20)	0.5393	0.5393	1.6846	1.6957	0.9382	0.882	0.9222	0.8709	0.9604	0.5393	0.656	1.7476	2.0397	2.3029	1.9392
behenoylcarnitine (C22)	0.7256	0.9421	1.2211	2.5694	1.1461	1.0258	1.077	2.0988	1.7377	1.0541	1.0899	1.8916	2.5585	2.7939	2.7634
cis-4-decenoylcarnitine (C10:1)	0.3882	1.0246	1.4453	1.8094	1.4259	0.9826	1.1474	1.377	0.9278	0.6162	0.7622	0.7357	1.3289	0.4884	0.329
decanoylcarnitine (C10)	0.9405	0.8672	1.8406	1.6685	0.7934	0.6925	0.821	0.7114	0.3499	0.3499	0.3499	0.5437	0.716	0.3499	0.3499
dihomo-linolenoylcarnitine (C20:3n3 or 6)	1.005	1.8192	4.0348	1.1713	0.995	0.8952	0.9185	1.5086	1.1985	0.5498	0.5588	0.704	0.5392	0.2676	0.1918
dihomo-linoleoylcarnitine (C20:2)	1.0144	1.1916	12.0671	1.2146	1.0228	0.9266	0.8567	1.0289	0.9298	0.6108	0.9467	1.0381	0.8946	0.3929	0.3586
eicosenoylcarnitine (C20:1)	1.3253	1.9993	5.2784	1.1219	1.0334	0.7988	0.8302	0.9485	1.024	0.938	0.7469	0.976	0.9108	0.4541	0.4868
laurylcarnitine (C12)	1.0098	0.9832	2.8225	1.6667	0.9936	0.7814	0.6946	1.0064	0.8142	0.8171	0.7574	0.7812	1.1527	0.5308	0.3911
lignoceroylcarnitine (C24)	1.0398	0.9963	1.2351	2.8413	1.2358	1.1521	1.1656	2.181	2.125	1.0391	1.2382	1.6053	2.1254	2.0991	2.316
linolenoylcarnitine (C18:3)	0.6705	0.94	6.6041	0.7599	1.1848	0.9703	1.0886	1.3474	1.1229	0.4597	0.7324	0.6306	0.9037	0.4198	0.33
linoleoylcarnitine (C18:2)	0.9356	1.0272	9.4046	1.3307	1.0991	0.8948	0.8689	1.085	0.8242	0.6301	1.0243	0.9677	1.0152	0.4406	0.3158
margaroylcarnitine (C17)	0.9839	0.9571	3.1205	1.8799	1.1428	1.1402	1.1892	1.5541	1.4732	0.53	1.0158	1.2063	1.1373	0.8301	0.8434
myristoleoylcarnitine (C14:1)	1.4199	1.3557	1.4115	1.4658	0.7827	0.5478	0.5306	0.3943	0.4202	1.0889	1.0681	0.8519	1.0091	0.2706	0.2097
myristoylcarnitine (C14)	0.8539	1.0014	3.7928	1.2707	1.2135	0.9032	0.8449	0.9127	1.112	0.7869	0.9034	0.8675	0.9793	0.5692	0.4745
nervonoylcarnitine (C24:1)	0.4135	0.9105	1.0137	1.9236	1.0394	0.9015	1.0185	0.996	1	1.0003	0.6707	1.3219	1.6728	1.6543	1.671
octadecanedioylcarnitine (C18-DC)	1.0752	0.9361	0.4977	0.4661	0.4661	0.9192	0.6541	0.4661	0.6762	0.4661	0.5338	0.4661	0.4661	0.4661	0.4661
octadecenedioylcarnitine (C18:1-DC)	1.1874	1.0982	0.4723	0.3541	0.849	0.8501	0.7603	0.9432	0.7257	0.5547	0.6195	0.8048	0.3874	0.4275	0.3541
octanoylcarnitine (C8)	0.9783	0.9564	1.7762	1.7646	1.4446	0.944	1.3735	1.16	0.8777	0.6611	0.8375	0.6778	1.4524	0.5129	0.3434
oleoylcarnitine (C18:1)	1.4293	1.8338	3.5884	1.6036	0.752	0.6586	0.5617	0.6119	0.6125	0.9058	1.1764	1.0336	0.5991	0.2547	0.1814
palmitoleoylcarnitine (C16:1)	1.3607	1.4037	4.4608	1.261	0.9923	0.7167	0.6698	0.4722	0.4644	0.9172	0.9096	0.7906	0.8116	0.2814	0.1776
palmitoylcarnitine (C16)	1.0277	1.6219	3.4203	1.9831	0.9914	1.0086	0.9879	1.6124	1.6748	0.6981	0.8801	0.8782	0.8293	0.5247	0.4875
pentadecanoylcarnitine (C15)	0.9137	1.1709	2.8604	1.1095	0.9793	0.7733	0.9867	1.1354	1.0128	0.5179	0.8477	0.7961	1.1203	0.5653	0.5556
stearoylcarnitine (C18)	1.5156	1.7996	2.9007	2.7416	0.9467	0.9381	0.9488	1.5286	1.934	0.7863	1.216	1.3682	0.9714	0.7717	0.8431
glycosyl ceramide (d18:1/20:0, d16:1/22:0)	3.4427	2.9067	2.3574	7.353	0.5791	0.981	0.8412	0.8889	0.6385	1.5478	2.674	0.8906	0.854	0.7691	0.9854
glycosyl ceramide (d18:2/24:1, d18:1/24:2)	0.914	1.668	5.2272	3.3382	0.9535	0.7404	0.9392	0.9699	0.9648	1.0936	0.7275	1.1152	1.0424	0.8993	0.8149
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	2.014	4.127	5.1949	7.7501	0.5937	0.5074	0.6106	0.8408	0.7743	1.8635	1.3132	1.8658	0.6455	0.7838	0.9707
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	3.8875	7.8431	3.1366	7.4969	0.2321	0.2479	0.1717	0.2407	0.1989	0.9764	2.2241	0.6603	0.2216	0.2324	0.2266
1-arachidonoyl-GPC (20:4n6)	1.3908	1.8763	0.6563	0.7823	0.6621	0.6054	0.5865	0.726	0.6962	1.3704	1.2358	1.3173	0.5101	0.4632	0.5097
1-arachidonoyl-GPE (20:4n6)	1.4354	1.6997	0.7112	1.6539	1.0464	0.8939	0.9199	0.8027	0.8274	1.378	1.7986	1.5859	0.6902	0.7221	0.7525
1-lignoceroyl-GPC (24:0)	0.9212	1.153	1.2538	1.2262	1.1634	1.0637	1.0977	1.5934	1.6441	0.7804	0.9375	1.1782	0.9804	1.2337	1.3581
1-linolenoyl-GPC (18:3)	1.2206	1.6291	0.9211	0.9478	1.001	0.7323	0.9531	1.7318	1.5233	0.999	1.2392	1.8461	0.8974	0.9312	0.9927
1-linoleoyl-GPC (18:2)	1.3664	1.4494	1.0417	0.9963	0.8549	0.7645	0.8122	1.4414	1.3039	0.7684	1.1003	1.1646	0.838	0.8133	0.8373
1-linoleoyl-GPE (18:2)	1.0234	0.8561	1.046	1.0333	0.9072	0.8948	0.9193	1.2875	1.0462	0.7204	1.7356	1.2042	0.9125	1.368	1.117
1-oleoyl-GPC (18:1)	1.5694	2.3897	0.8955	1.1212	0.7168	0.6599	0.6429	1.0515	0.9941	1.5145	0.9768	1.767	0.6001	0.5794	0.5243
1-oleoyl-GPE (18:1)	1.1444	1.0361	0.8942	1.1487	0.8491	0.8901	1.0353	1.0089	0.9361	1.2927	1.3131	2.1063	0.8027	1.1464	0.9084
1-palmitoleoyl-GPC (16:1)	1.1216	2.1226	0.9794	1.098	0.7866	0.6211	0.6906	0.9357	1.0982	1.602	0.7335	1.8485	0.6273	0.4694	0.4638
1-palmitoyl-GPC (16:0)	1.0445	1.3993	1.0808	1.1014	0.7598	0.7303	0.751	1.4549	1.3978	0.9656	1.0203	1.1674	0.9214	0.8857	0.8907
1-palmitoyl-GPE (16:0)	0.8473	0.9227	0.8003	1.8772	0.8314	0.9532	0.8625	0.8129	1.0137	1.4415	1.3324	1.9795	1.2271	1.3024	1.1906
1-stearoyl-GPC (18:0)	1.557	1.7404	1.3713	1.9546	0.6406	0.5935	0.6173	1.294	1.2144	1.0457	1.5978	1.3184	0.792	0.7836	0.8596
1-stearoyl-GPE (18:0)	1.232	1.3438	1.1277	2.834	0.7426	0.7443	0.7028	0.9179	1.0009	1.2124	1.6847	1.9835	1.0797	1.224	1.1404
1-(1-enyl-oleoyl)-GPE (P-18:1)	1.2327	0.6216	1.3415	0.8141	0.8886	1.101	1.5507	1.1051	1.7962	1.039	0.8198	1.7231	0.8621	0.9711	0.9472
1-(1-enyl-palmitoyl)-GPC (P-16:0)	0.7098	0.7179	1.0275	1.0424	0.7098	0.7098	0.7098	1.5825	1.3855	0.7098	0.7098	0.7326	0.7098	0.7098	0.7098
1-(1-enyl-palmitoyl)-GPE (P-16:0)	1.1374	0.7706	1.0389	1.0688	0.8751	1.0025	1.328	1.4325	1.8828	0.8186	0.8682	1.356	1.0857	0.9975	1.1097
1-(1-enyl-stearoyl)-GPE (P-18:0)	0.9499	1.0573	1.4227	1.6952	0.6959	0.901	0.9972	1.6782	1.9477	0.9219	1.0028	1.731	1.1506	1.0818	1.2057
1-docosahexaenoylglycerol (22:6)	0.6092	0.3201	0.7803	0.3963	0.3201	0.3201	0.3201	0.3201	0.6152	2.5093	2.1255	0.7769	1	0.4315	0.5011
1,2-dilinoleoyl-GPC (18:2/18:2)	1.1061	1.0357	1.0668	0.5894	0.8748	0.7658	0.9253	1.3492	1.0733	0.5119	1.1184	1.1146	1.0152	1.6377	1.3796
1,2-dipalmitoyl-GPC (16:0/16:0)	1.3933	1.541	0.9301	2.3757	1.2424	1.5828	1.5107	1.8117	2.2226	0.9299	0.6718	1.5835	1.023	1.1045	1.1234
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)	1.6073	2.1358	0.9547	0.687	0.9773	0.91	0.981	0.9312	0.8488	1.3654	1.5791	2.4249	0.9319	1.1215	1.0431
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)	0.9767	1.0276	1.4417	0.4995	1.2187	0.9035	1.3369	1.3058	1.0233	0.4553	1.3086	1.1768	1.1832	1.8917	1.5092
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)	2.0102	2.8665	1.3417	0.3077	1	0.6744	0.9938	0.6179	0.3077	4.0377	1.8563	3.9988	0.6746	0.9497	1.2679
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	0.207	0.6932	1.4551	0.5965	1.1325	1.0544	0.9094	0.809	1.2608	0.207	0.207	1.0226	1.0431	1.369	1.0041
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)	1.4074	2.182	0.9475	0.9521	0.9687	0.9351	0.9791	0.9233	0.8738	2.4032	1.5184	2.2529	0.8167	0.8517	0.8835
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)	1.1489	1.2888	1.087	1	1.2907	0.7521	1.0642	0.3177	0.1382	1.6711	1.1063	2.9782	1.0296	0.9931	0.7816
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	1.4018	1.4489	0.9227	0.9447	0.9806	0.876	1.09	0.6902	0.7345	1.8877	1.3534	1.6464	0.8794	0.9651	1.0975
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	1.2518	1.4343	0.9155	1.3453	1.0349	0.9509	1.026	0.9361	0.9561	1.3743	1.1435	1.1821	0.8814	0.8855	0.9116
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)	1.1921	1.0347	0.8928	1.0743	1.0808	0.703	1.2712	0.7097	0.9136	1.5687	1.151	3.0431	1.0813	1.2289	1.5178
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	1.1358	0.9916	1.1781	1.0132	0.9311	0.8791	1.0654	1.1166	1.0863	0.9443	1.1288	1.0951	1.0084	1.1684	1.3212
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	1.5301	2.1493	0.9322	1.6768	1.0245	0.9177	0.923	0.6825	0.9416	1.8313	0.9554	1.979	0.7544	0.8734	0.7933
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)	1.1704	1.62	1.0796	1.1482	1.1659	0.8361	0.9363	0.5064	0.6461	3.4677	0.7696	4.0711	0.8422	0.9807	0.8555
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	2.209	2.2037	1.0112	3.4077	0.9704	1.2003	1.2187	1.8627	2.3252	1.0474	1.1814	1.7253	0.8436	1.1037	1.0747
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	1.8863	1.7609	1.1282	1.5922	0.807	0.8005	0.9533	0.6392	0.6056	1.9404	1.948	1.7594	0.7255	0.8401	0.9618
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	1.6173	1.6563	0.8856	2.2744	0.7517	0.7449	0.6079	0.665	0.5501	1.3816	1.5522	1.1635	0.7589	0.7338	0.6031
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)	1.3697	1.1287	1.2833	1.5006	0.8263	0.7665	0.868	1.0547	0.9397	0.902	1.3909	1.1621	0.8685	1.0435	1.1595
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	2.4111	2.788	1.1434	3.2454	0.7682	0.6798	0.6958	0.8251	0.9449	2.35	1.6331	2.4473	0.6335	0.9037	0.8578
1,2-dilinoleoyl-GPE (18:2/18:2)	0.9757	1.1397	0.7475	4.407	1.1937	1.8658	2.3555	1.8009	3.1326	0.2863	0.8995	1.599	2.1776	4.3341	2.3549
1,2-dipalmitoyl-GPE (16:0/16:0)	2.6383	4.7551	0.1842	8.5204	1.6903	3.1162	2.1887	3.1234	6.4469	0.2753	0.4962	2.0106	0.5082	0.1842	0.2573
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)	2.516	3.1556	0.4111	5.6191	2.0857	3.408	2.8284	2.7562	4.5258	0.6183	0.8744	2.6355	1.0286	1.2213	0.6997
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)	1.9785	2.9502	0.3141	3.7325	1.4737	1.8654	1.6762	1.3111	1.9378	1.6934	1.0446	3.3533	0.8408	1	0.7659
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)	1.411	1.5907	0.8594	4.0656	1.2847	1.9054	1.9746	1.1413	1.8827	1.1157	1.212	2.68	1.6012	3.1323	1.99
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)	0.9727	1.4779	0.5005	3.3606	1.6267	2.0031	1.6722	0.9517	1.5529	2.5973	1.4626	4.3021	1.3167	2.019	1.3356
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)	0.5718	0.8884	0.6569	4.5004	2.1574	1.8955	1.8184	0.6535	1.1878	3.0427	1.6883	3.8464	2.7953	3.7623	2.0972
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	0.5986	0.6834	1.0354	2.8856	1.5783	1.8621	1.9588	1.0474	1.7853	1.2705	1.5507	2.2648	2.1192	4.2957	3.0417
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	2.4979	3.2557	0.4954	6.1608	1.4003	2.52	2.1764	1.7288	3.3748	1.1671	0.894	2.9825	0.9574	1.5188	0.9852
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	0.9491	0.9691	0.8299	3.9819	1.1275	1.2836	1.2621	0.5654	0.9163	2.3007	2.1589	3.0393	1.2364	1.9084	1.5462
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)	1.0101	1.0141	1.4371	3.7481	1.1871	1.445	1.4657	0.7203	0.9218	1.7403	3.0939	3.3726	2.0893	4.5222	2.904
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	1.6118	1.5608	0.8828	4.5553	0.9313	1.395	1.2008	0.9251	1.6057	1.6613	2.0587	3.4441	1.4606	3.1374	2.0993
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)	1.2669	1.9292	1.057	0.6175	1.0644	1.0131	0.9869	0.6636	0.8722	1.3064	0.7095	3.2595	0.6621	0.5725	0.6795
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)	0.9417	1.0119	0.9806	0.9584	1.1804	1.0129	1.0384	0.9628	1.2792	0.9624	0.6574	2.3615	0.6434	0.9141	0.8218
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	0.6825	0.4584	1.1708	0.963	1.4531	1.2818	1.3566	1.9165	2.2371	0.5656	0.7322	1.8918	1.2496	1.67	1.4596
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	1.4407	1.5366	1.1957	1.145	0.8763	0.8381	0.8368	0.8682	0.8662	0.7079	1.0813	1.0784	0.7435	0.7518	0.7397
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	0.8716	0.6086	1.2679	0.8574	1.1542	1.083	1.1227	1.9688	1.8564	0.5918	1.1323	1.6158	1.2831	1.5937	1.3942
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)	1.0942	0.7644	1.0375	1.2895	0.8885	0.9755	0.9326	1.3716	0.9444	0.9325	0.6976	0.7551	1.1457	1.1917	1.272
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)	0.7705	0.6476	0.9426	0.9228	0.972	1.1826	1.2668	1.6386	1.7648	0.6647	0.5717	1.1048	1.1152	1.258	1.4464
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)	0.6365	0.2879	0.7602	0.6921	1.5575	1.4186	1.2407	2.0869	1.6289	0.2879	0.4897	0.4439	1.4583	1.9629	1.4309
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)	0.2689	0.2689	0.2689	0.2689	0.8791	1.1112	0.8294	1.5918	1.6265	0.2689	0.2689	0.2689	1.1497	1.7218	1.4168
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)	0.4816	0.6054	1.2255	1	1.4206	1.3266	0.9654	1.7991	1.6982	0.686	0.1576	0.1576	1.3497	1.3092	1.0349
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)	1.2464	1.6345	0.579	1.811	1.2067	1.6596	1.5719	1.8649	2.5304	0.6565	0.4611	1.1601	0.9312	1.3588	1.0713
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)	0.6627	0.7395	0.8835	1.4154	1.7994	1.9886	1.1933	2.2983	1.8757	0.7147	0.2966	0.885	1.8151	2.2993	2.0509
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)	1.0657	1.2268	1.1396	1.4318	0.7698	0.8924	0.8629	1.2701	1.11	1.239	1.2625	2.207	0.9722	1.1309	1.2619
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)	0.7378	0.8623	1.1484	1.2499	0.939	1.1257	1.0608	1.5741	1.6	0.6989	1.0573	1.2126	1.1693	1.7309	1.6886
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	1.1451	1.9691	0.3585	2.5365	0.5797	1.0979	0.3585	1.6875	2.1015	0.7364	0.5977	1.8115	0.9846	1.3278	1.3883
behenoyl dihydrosphingomyelin (d18:0/22:0)	1.6843	1.4868	0.4554	9.9637	0.7488	1.2755	0.8504	1.2505	2.0162	0.8121	1.0235	2.1552	1.5343	1.4396	1.1799
behenoyl sphingomyelin (d18:1/22:0)	0.9983	1.0017	0.4441	3.1115	1.0661	1.3016	1.052	1.3091	1.5845	0.8804	0.7992	1.7108	1.5971	1.7435	1.6718
lignoceroyl sphingomyelin (d18:1/24:0)	1.2683	1.5747	0.7285	4.494	0.9895	1.1696	1.0636	1.3069	1.8554	1.0914	0.8792	2.8195	1.4743	1.4346	1.2489
palmitoyl dihydrosphingomyelin (d18:0/16:0)	1.0298	1.1118	1.3905	5.7236	0.7598	0.8676	0.9258	1.5918	1.5912	1.0252	0.997	1.8149	1.0595	1.4765	1.3975
palmitoyl sphingomyelin (d18:1/16:0)	1.145	1.5795	1.4085	3.4564	0.7421	0.7475	0.6894	1.0685	1.0566	0.902	0.9678	1.2827	0.9633	1.0472	0.951
sphingadienine	2.0633	0.5687	1.5506	0.9415	0.7153	1.4493	1.3616	0.4744	0.4556	0.3356	0.1925	1.0629	0.4778	0.5262	0.1925
sphinganine	3.1066	1.1782	1.6796	3.0944	0.5657	0.973	1.027	0.3654	0.678	1.4264	0.7187	3.1062	0.5883	0.5504	0.4544
sphinganine-1-phosphate	1.4028	2.2021	2.1239	2.8626	0.1571	0.2681	0.2264	0.4346	0.8889	3.25	1.8524	3.8155	0.9202	0.9709	0.8687
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)	1.0023	1.4014	1.3291	2.4945	0.8964	1.0564	0.9677	1.522	1.3914	0.5432	0.988	0.934	1.2289	1.4831	1.2847
sphingomyelin (d18:0/18:0, d19:0/17:0)	2.926	4.1139	0.8464	28.5484	0.4055	0.9295	0.5374	1.2596	1.5139	1.0427	1.2298	1.8793	0.6984	0.8739	0.7255
sphingomyelin (d18:1/14:0, d16:1/16:0)	1.3163	2.23	1.209	2.6629	0.6905	0.7032	0.7175	0.9983	1.0748	1.0304	1.0949	1.2431	0.7244	1.0403	0.9644
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	1.2367	1.7666	1.2373	3.1431	0.6378	0.7354	0.7829	1.2792	1.0234	0.5274	1.1605	0.9331	0.9245	1.2308	1.0973
sphingomyelin (d18:1/18:1, d18:2/18:0)	1.1328	1.6052	0.9893	2.19	0.7883	0.8076	0.6556	0.8876	0.9751	0.7183	1.0649	0.8294	0.8601	0.9029	0.8294
sphingomyelin (d18:1/19:0, d19:1/18:0)	1.1051	1.1738	0.6719	3.3612	0.7524	1.2787	1.2024	1.6539	1.1827	0.3652	0.9406	0.5383	1.3301	1.5653	1.6801
sphingomyelin (d18:1/20:0, d16:1/22:0)	1.4584	1.1643	0.5572	3.2741	0.7252	0.9542	0.7854	1.1196	1.1965	1.0248	1.0862	1.0772	1.0433	1.187	1.2252
sphingomyelin (d18:1/20:1, d18:2/20:0)	0.7809	1.0451	0.6644	1.5584	0.9352	1.2686	0.9549	1.2624	1.3	0.7279	0.8488	0.6703	1.1877	1.3741	1.2511
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)	0.8776	0.9444	0.5619	2.7795	1.7348	1.995	1.8793	2.2949	2.4789	0.5501	0.8567	1.3257	2.536	3.1658	2.7814
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)	0.8776	0.8293	0.5645	1.6211	1.4056	1.5901	1.4066	1.6543	1.9854	1.0631	0.7584	1.2423	1.5317	1.9956	1.9025
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)	0.4941	0.747	0.8726	1.4544	1.2937	1.5481	1.2926	1.2916	1.2566	0.5206	0.4484	0.7344	1.2277	1.3789	1.2743
sphingomyelin (d18:1/24:1, d18:2/24:0)	0.9024	1.3363	0.9516	3.1792	0.8852	0.9832	0.872	1.0233	1.2043	1.4232	0.6423	2.1124	1.1806	1.0539	1.0168
sphingomyelin (d18:2/14:0, d18:1/14:1)	0.7723	1.6756	0.4286	1.0176	0.8222	0.8453	0.8106	1	1.2322	0.6211	0.4286	0.7939	0.6286	0.8539	0.6853
sphingomyelin (d18:2/16:0, d18:1/16:1)	1.0495	1.1688	0.9117	1.8774	1.0799	0.9611	1.0117	1.4862	1.5148	0.6779	1.018	1.0538	1.0635	1.5305	1.3887
sphingomyelin (d18:2/18:1)	1.1474	1.4931	0.9607	2.6041	0.6536	0.6713	0.6703	0.8327	0.8593	1.0068	0.9932	1.2945	0.7297	0.8943	0.8428
sphingomyelin (d18:2/21:0, d16:2/23:0)	0.7297	0.9394	0.4909	1.1253	1.5898	2.1863	2.2125	1.8675	1.9606	0.3277	0.5066	0.8616	1.9059	2.3507	2.2992
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)	0.7855	1.0027	0.7924	1.9554	1.0862	1.2172	1.1088	1.2478	1.3759	0.6482	0.7644	1.4686	1.4211	1.3994	1.2222
sphingomyelin (d18:2/23:1)	0.4989	0.7148	1.1179	1.6036	0.9997	1.1763	1.3081	1.3951	1.5705	0.4629	0.539	1.0585	1.1012	1.3072	1.3056
sphingomyelin (d18:2/24:1, d18:1/24:2)	0.7987	1.0762	1.2254	2.2495	0.9855	1.0868	0.9988	1.2673	1.4189	0.8822	0.6648	1.5552	1.0389	1.1146	1.057
sphingomyelin (d18:2/24:2)	0.3208	0.5104	1.325	1.2336	1.0542	1.1901	1.0868	1.2829	1.2674	0.3994	0.4163	0.8283	1.1111	1	1.074
sphingosine	2.2576	0.7006	2.2055	1.8655	0.881	1.1962	1.3641	0.5755	0.7937	0.8254	0.478	2.13	0.6824	0.6729	0.5006
stearoyl sphingomyelin (d18:1/18:0)	1.6858	2.0868	0.9089	4.9062	0.6295	0.7415	0.6895	0.989	0.9577	0.8176	1.1954	0.6742	0.7945	0.7823	0.8755
tricosanoyl sphingomyelin (d18:1/23:0)	1.6664	1.4636	1.0225	6.1854	0.6388	0.6931	0.7797	0.9292	1.0317	1.0714	1.3657	2.3974	1.0876	1.0041	0.9769
4-cholesten-3-one	1.9949	2.0593	1.1754	2.4243	0.316	0.316	0.316	0.418	0.6866	1.7535	1.5191	1.9644	0.476	0.7468	0.5721
beta-sitosterol	2.3778	1.9363	1.49	2.7615	0.8189	0.6798	0.5818	0.5551	0.7352	1.0811	1.7846	1.0746	0.4687	0.665	0.6015
campesterol	3.0875	2.7111	1.8524	3.2307	0.7624	0.7156	0.6332	0.6137	0.8623	1.7376	2.5643	1.7333	0.7909	0.8122	0.8959
cholesterol	1.2497	1.3524	1.0641	2.0477	0.7408	0.6054	0.7	0.6062	0.7373	1.5571	1.1259	2.0393	0.8352	1.031	1.1485
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PLATFORM	Retention index	MASS	PUBCHEM ID	CHEMSPIDER	KEGG ID	HMDB ID
bilirubin (Z,Z)	LC/MS Pos Late	1840	585.27076	5280352	4444055	C00486	HMDB00054
biliverdin	LC/MS Pos Late	1016	583.25512	5353439	10628548	C00500	HMDB01008
heme	LC/MS Pos Late	1124	616.1762	26945		C00032	HMDB03178
protoporphyrin IX	LC/MS Pos Late	1417	563.26529	4971	10469486	C02191	HMDB00241
alpha-tocopherol	LC/MS Pos Late	2522	430.37818	14985	14265	C02477	HMDB01893
gamma-tocopherol/beta-tocopherol	LC/MS Pos Late	2384	416.36427
carotene diol (1)	LC/MS Pos Late	1720	568.42759
carotene diol (2)	LC/MS Pos Late	1904	568.42793
carotene diol (3)	LC/MS Pos Late	1948	568.42786
retinal	LC/MS Pos Late	1666	285.2213	638015	553582	C00376	HMDB01358
retinol (Vitamin A)	LC/MS Pos Late	1636	269.22639	445354	393012	C00473	HMDB00305
ceramide (d16:1/24:1, d18:1/22:1)	LC/MS Pos Late	3850	620.59763
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)	LC/MS Pos Late	3920	594.58199
ceramide (d18:2/24:1, d18:1/24:2)	LC/MS Pos Late	3858	646.6133
N-behenoyl-sphingadienine (d18:2/22:0)	LC/MS Pos Late	3911	620.59763
N-palmitoyl-sphingosine (d18:1/16:0)	LC/MS Pos Late	2893	538.51937	5283564	4446677		HMDB04949
N-stearoyl-sphingosine (d18:1/18:0)	LC/MS Pos Late	3392	566.55067	5283565	4446678		HMDB04950
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])	LC/MS Pos Late	2733	608.52486
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]	LC/MS Pos Late	2590	658.54051				HMDB07257
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]	LC/MS Pos Late	2650	658.54051				HMDB07257
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]	LC/MS Pos Late	2450	682.54051
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]	LC/MS Pos Late	2500	682.54051				HMDB07266
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]	LC/MS Pos Late	2426	632.52486				HMDB07249
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]	LC/MS Pos Late	2478	632.52486				HMDB07250
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]	LC/MS Pos Late	2720	634.54051				HMDB07248
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]	LC/MS Pos Late	2990	660.55616				HMDB07228
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	LC/MS Pos Late	3115	636.55616		23975985		HMDB07219
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	LC/MS Pos Late	3223	636.55616		29788004		HMDB07219
oleoyl-oleoyl-glycerol (18:1/18:1) [1]	LC/MS Pos Late	3571	638.57181				HMDB07218
oleoyl-oleoyl-glycerol (18:1/18:1) [2]	LC/MS Pos Late	3695	638.57181				HMDB07218
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]	LC/MS Pos Late	2664	608.52486				HMDB07132
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]	LC/MS Pos Late	2916	634.54051				HMDB07112
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]	LC/MS Pos Late	3015	634.54051				HMDB07112
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]	LC/MS Pos Late	3080	610.54051	9543695	7822645		HMDB07103
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]	LC/MS Pos Late	3197	610.54051				HMDB07103
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]	LC/MS Pos Late	3695	612.55616			C13861	HMDB07102
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]	LC/MS Pos Late	3404	662.57181
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]	LC/MS Pos Late	3762	638.57181
N-palmitoyl-sphinganine (d18:0/16:0)	LC/MS Pos Late	3090	540.53503	5283572	4446685		HMDB11760
oleoyl ethanolamide	LC/MS Pos Late	1661	326.30536	5283454	4446574		HMDB02088
arachidonoylcholine	LC/MS Pos Late	1390	390.33666
docosahexaenoylcholine	LC/MS Pos Late	1378	414.33666
linoleoylcholine	LC/MS Pos Late	1388	366.33666
oleoylcholine	LC/MS Pos Late	1449	368.35231
palmitoylcholine	LC/MS Pos Late	1482	342.33666	151731	133731
stearoylcholine	LC/MS Pos Late	1520	370.36797
3-hydroxyoleoylcarnitine	LC/MS Pos Late	1406	442.3527		48061587
3-hydroxypalmitoylcarnitine	LC/MS Pos Late	1380	416.33705
5-dodecenoylcarnitine (C12:1)	LC/MS Pos Late	1135	342.26389
arachidonoylcarnitine (C20:4)	LC/MS Pos Late	1353	448.34215
arachidoylcarnitine (C20)	LC/MS Pos Late	1512	456.40474		28639199		HMDB06460
behenoylcarnitine (C22)	LC/MS Pos Late	1561	484.43604		28639204
cis-4-decenoylcarnitine (C10:1)	LC/MS Pos Late	1057	314.23259		28639171
decanoylcarnitine (C10)	LC/MS Pos Late	1130	316.24824	10245190	8420677		HMDB00651
dihomo-linolenoylcarnitine (C20:3n3 or 6)	LC/MS Pos Late	1392	450.35777
dihomo-linoleoylcarnitine (C20:2)	LC/MS Pos Late	1436	452.37343
eicosenoylcarnitine (C20:1)	LC/MS Pos Late	1484	454.38909
laurylcarnitine (C12)	LC/MS Pos Late	1235	344.27954	10427569	8602997		HMDB02250
lignoceroylcarnitine (C24)	LC/MS Pos Late	1603	512.46733
linolenoylcarnitine (C18:3)	LC/MS Pos Late	1310	422.32649
linoleoylcarnitine (C18:2)	LC/MS Pos Late	1430	424.34214	6450015	4952667		HMDB06469
margaroylcarnitine (C17)	LC/MS Pos Late	1424	414.35779		35015987		HMDB06210
myristoleoylcarnitine (C14:1)	LC/MS Pos Late	1316	370.29471	90659872	34999520
myristoylcarnitine (C14)	LC/MS Pos Late	1350	372.31084	6426854	4932274		HMDB05066
nervonoylcarnitine (C24:1)	LC/MS Pos Late	1602	510.45168
octadecanedioylcarnitine (C18-DC)	LC/MS Pos Late	1227	458.34762		28639203
octadecenedioylcarnitine (C18:1-DC)	LC/MS Pos Late	1180	456.33197		28639201
octanoylcarnitine (C8)	LC/MS Pos Late	950	288.21694	123701	110274	C02838	HMDB00791
oleoylcarnitine (C18:1)	LC/MS Pos Late	1423	426.35779	6441392	21403150		HMDB05065
palmitoleoylcarnitine (C16:1)	LC/MS Pos Late	1357	398.32649	71464547	28639183
palmitoylcarnitine (C16)	LC/MS Pos Late	1425	400.34214	461	448	C02990	HMDB00222
pentadecanoylcarnitine (C15)	LC/MS Pos Late	1362	386.32649
stearoylcarnitine (C18)	LC/MS Pos Late	1485	428.37344	6426855	21233653		HMDB00848
glycosyl ceramide (d18:1/20:0, d16:1/22:0)	LC/MS Pos Late	3414	756.6348
glycosyl ceramide (d18:2/24:1, d18:1/24:2)	LC/MS Pos Late	3380	808.66609
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	LC/MS Pos Late	2623	700.5722
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	LC/MS Pos Late	3053	728.6035
1-arachidonoyl-GPC (20:4n6)	LC/MS Pos Late	1460	544.33977		21403155	C05208	HMDB10395
1-arachidonoyl-GPE (20:4n6)	LC/MS Pos Late	1470	502.29282	42607465	21403171		HMDB11517
1-lignoceroyl-GPC (24:0)	LC/MS Pos Late	1907	608.46497		24766539		HMDB10405
1-linolenoyl-GPC (18:3)	LC/MS Pos Late	1410	518.32412				HMDB10388
1-linoleoyl-GPC (18:2)	LC/MS Pos Late	1465	520.33977	11988421	10160888	C04100	HMDB10386
1-linoleoyl-GPE (18:2)	LC/MS Pos Late	1482	478.29282	52925130	21403170		HMDB11507
1-oleoyl-GPC (18:1)	LC/MS Pos Late	1540	522.35542	16081932	17240641		HMDB02815
1-oleoyl-GPE (18:1)	LC/MS Pos Late	1554	480.30847	9547071	7826021		HMDB11506
1-palmitoleoyl-GPC (16:1)	LC/MS Pos Late	1450	494.32412	24779461	21403152		HMDB10383
1-palmitoyl-GPC (16:0)	LC/MS Pos Late	1525	496.33977	86554	78064		HMDB10382
1-palmitoyl-GPE (16:0)	LC/MS Pos Late	1544	454.29282	9547069	7826019		HMDB11503
1-stearoyl-GPC (18:0)	LC/MS Pos Late	1606	524.37107	497299	435389		HMDB10384
1-stearoyl-GPE (18:0)	LC/MS Pos Late	1626	482.32412	9547068	7826018		HMDB11130
1-(1-enyl-oleoyl)-GPE (P-18:1)	LC/MS Pos Late	1566	464.3136
1-(1-enyl-palmitoyl)-GPC (P-16:0)	LC/MS Pos Late	1547	480.34485	10917802	9093054		HMDB10407
1-(1-enyl-palmitoyl)-GPE (P-16:0)	LC/MS Pos Late	1558	438.2979		10471193
1-(1-enyl-stearoyl)-GPE (P-18:0)	LC/MS Pos Late	1649	466.3292
1-docosahexaenoylglycerol (22:6)	LC/MS Pos Late	1542	420.31084		10477810		HMDB11587
1,2-dilinoleoyl-GPC (18:2/18:2)	LC/MS Pos Late	2006	782.56944	5288075	4450312		HMDB08138
1,2-dipalmitoyl-GPC (16:0/16:0)	LC/MS Pos Late	2365	734.56944	452110	398235		HMDB00564
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)	LC/MS Pos Late	1969	806.56944		24766809		HMDB08147
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)	LC/MS Pos Late	1939	780.55378		24766802		HMDB08141
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)	LC/MS Pos Late	1914	754.53813		24766559		HMDB07883
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	LC/MS Pos Late	2147	706.53813	129657	114798		HMDB07869
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)	LC/MS Pos Late	2011	832.58509		24766785		HMDB08123
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)	LC/MS Pos Late	1850	754.53813		24766677		HMDB08008
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	LC/MS Pos Late	2091	782.56944	10747814	8923140		HMDB07982
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	LC/MS Pos Late	2023	806.56944	6441886	4946007		HMDB07991
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)	LC/MS Pos Late	2034	756.55378		24766645		HMDB07974
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	LC/MS Pos Late	2160	758.56944	5287971	4450224		HMDB07973
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	LC/MS Pos Late	2358	760.58509	6436017	4940699		HMDB07972
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)	LC/MS Pos Late	2160	732.55378				HMDB07969
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	LC/MS Pos Late	2653	762.60074		24766643		HMDB07970
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	LC/MS Pos Late	2300	810.60074	16219824	17347139		HMDB08048
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	LC/MS Pos Late	2197	834.60128				HMDB08057
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)	LC/MS Pos Late	2380	786.60074				HMDB08039
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	LC/MS Pos Late	2644	788.61639		24766704		HMDB08038
1,2-dilinoleoyl-GPE (18:2/18:2)	LC/MS Pos Late	2083	740.52248	9546812	7825762		HMDB09093
1,2-dipalmitoyl-GPE (16:0/16:0)	LC/MS Pos Late	2498	692.52248	445468	393103		HMDB08923
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)	LC/MS Pos Late	2030	764.52248		24768565		HMDB09102
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)	LC/MS Pos Late	2200	766.53813		24768534		HMDB09069
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)	LC/MS Pos Late	2270	742.53813	9546753	7825703		HMDB05349
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)	LC/MS Pos Late	2198	740.52248	9546800	7825750		HMDB05323
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)	LC/MS Pos Late	2119	764.52248	9546799	7825749		HMDB05324
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	LC/MS Pos Late	2275	716.52248	9546747	7825697		HMDB05322
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	LC/MS Pos Late	2509	718.53813	5283496	4446615		HMDB05320
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	LC/MS Pos Late	2424	768.55378	5289133	4451158		HMDB09003
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)	LC/MS Pos Late	2522	744.55378	9546749	7825699		HMDB08994
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	LC/MS Pos Late	2858	746.56944				HMDB08993
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)	LC/MS Pos Late	2568	902.57531				HMDB09844
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)	LC/MS Pos Late	2567	876.55966		24767674		HMDB09789
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	LC/MS Pos Late	2730	852.55966		21403024		HMDB09784
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	LC/MS Pos Late	3000	904.59096		21403055		HMDB09815
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	LC/MS Pos Late	3185	880.59096		24767694		HMDB09809
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)	LC/MS Pos Late	2154	766.57452		24767495		HMDB11220
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)	LC/MS Pos Late	2270	724.52757		24769238		HMDB11352
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)	LC/MS Pos Late	2226	742.57452		24767486		HMDB11211
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)	LC/MS Pos Late	2351	700.52757		24769229		HMDB11343
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)	LC/MS Pos Late	2443	744.59017
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)	LC/MS Pos Late	2600	702.54322		24769228		HMDB11342
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)	LC/MS Pos Late	2454	718.57452	11146967	9322076		HMDB11206
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)	LC/MS Pos Late	2511	752.55887	9547058	7826008		HMDB05779
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)	LC/MS Pos Late	2633	728.55887		24769261		HMDB11376
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	LC/MS Pos Late	2950	730.57452		24769260		HMDB11375
behenoyl dihydrosphingomyelin (d18:0/22:0)	LC/MS Pos Late	3150	789.68441		24846880		HMDB12091
behenoyl sphingomyelin (d18:1/22:0)	LC/MS Pos Late	3083	787.66876		24846873		HMDB12103
lignoceroyl sphingomyelin (d18:1/24:0)	LC/MS Pos Late	3437	815.70006		24846875
palmitoyl dihydrosphingomyelin (d18:0/16:0)	LC/MS Pos Late	2290	705.5905	9939965	8115586
palmitoyl sphingomyelin (d18:1/16:0)	LC/MS Pos Late	2168	703.57485	9939941	8115562
sphingadienine	LC/MS Pos Late	1350	298.27406	6449795	4952479
sphinganine	LC/MS Pos Late	1413	302.30536	3126	3014	C00836	HMDB00269
sphinganine-1-phosphate	LC/MS Pos Late	1431	382.27169	520	505		HMDB01383
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)	LC/MS Pos Late	2082	689.5592		28532779
sphingomyelin (d18:0/18:0, d19:0/17:0)	LC/MS Pos Late	2362	733.6218		24846878		HMDB12087
sphingomyelin (d18:1/14:0, d16:1/16:0)	LC/MS Pos Late	1998	675.54355	11433862	9608732		HMDB12097
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	LC/MS Pos Late	2312	717.5905
sphingomyelin (d18:1/18:1, d18:2/18:0)	LC/MS Pos Late	2167	729.5905	6443882	4947837		HMDB12101
sphingomyelin (d18:1/19:0, d19:1/18:0)	LC/MS Pos Late	2330	745.62178
sphingomyelin (d18:1/20:0, d16:1/22:0)	LC/MS Pos Late	2685	759.6375		23113477		HMDB12102
sphingomyelin (d18:1/20:1, d18:2/20:0)	LC/MS Pos Late	2383	757.6218
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)	LC/MS Pos Late	2793	773.65311
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)	LC/MS Pos Late	2666	785.65311		29368329		HMDB12104
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)	LC/MS Pos Late	2209	783.63746
sphingomyelin (d18:1/24:1, d18:2/24:0)	LC/MS Pos Late	3033	813.68441		24846874		HMDB12107
sphingomyelin (d18:2/14:0, d18:1/14:1)	LC/MS Pos Late	1860	673.5279
sphingomyelin (d18:2/16:0, d18:1/16:1)	LC/MS Pos Late	2002	701.5592
sphingomyelin (d18:2/18:1)	LC/MS Pos Late	1904	727.57485
sphingomyelin (d18:2/21:0, d16:2/23:0)	LC/MS Pos Late	2330	771.63748
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)	LC/MS Pos Late	2845	799.66868
sphingomyelin (d18:2/23:1)	LC/MS Pos Late	2315	797.65308
sphingomyelin (d18:2/24:1, d18:1/24:2)	LC/MS Pos Late	2635	811.66868
sphingomyelin (d18:2/24:2)	LC/MS Pos Late	2215	809.65308
sphingosine	LC/MS Pos Late	1393	300.28971	5353955	4510275	C00319	HMDB00252
stearoyl sphingomyelin (d18:1/18:0)	LC/MS Pos Late	2400	731.60615	6453725	4956085	C00550	HMDB01348
tricosanoyl sphingomyelin (d18:1/23:0)	LC/MS Pos Late	3200	801.68441				HMDB12105
4-cholesten-3-one	LC/MS Pos Late	2520	385.3465	91477	427	C00599	HMDB00921
beta-sitosterol	LC/MS Pos Late	3054	397.38289	222284	192962	C01753	HMDB00852
campesterol	LC/MS Pos Late	2873	383.36724	173183	151215	C01789	HMDB02869
cholesterol	LC/MS Pos Late	2707	369.35159	11025495	4937803	C00187	HMDB00067
METABOLITES_END
#END