#METABOLOMICS WORKBENCH rpatterson@chem.ufl.edu_20151117_9462901_mwtab.txt DATATRACK_ID:423 STUDY_ID:ST000269 ANALYSIS_ID:AN000431 PROJECT_ID:PR000213
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic analysis of Nonalcoholic Fatty Liver Disease and Nonalcoholic
PR:PROJECT_TITLE                 	in mice and humans
PR:PROJECT_SUMMARY               	This project aims to understand the metabolic changes associated with the
PR:PROJECT_SUMMARY               	of NAFLD to NASH using a mouse model fed a high trans fat diet. This portion,
PR:PROJECT_SUMMARY               	particular, focuses on targeted lipidomics, whereas a future portion will be
PR:PROJECT_SUMMARY               	lipidomics. 
PR:INSTITUTE                     	University of Florida
PR:DEPARTMENT                    	Chemistry
PR:LABORATORY                    	Yost Laboratory
PR:LAST_NAME                     	Yost
PR:FIRST_NAME                    	Richard
PR:ADDRESS                       	214 Leigh Hall, University of Florida, Gainesville, FL 32611
PR:EMAIL                         	ryost@ufl.edu
PR:PHONE                         	392-352-0557
PR:FUNDING_SOURCE                	National Institutes of Health Grant # U24 DK097209; National Institutes of
PR:FUNDING_SOURCE                	CTSI Grant #UL1 TR000064
#STUDY
ST:STUDY_TITLE                   	Diacylglyceride and Ceramide analysis in TFD mice
ST:STUDY_TYPE                    	diet/age comparison
ST:STUDY_SUMMARY                 	Mice were fed with a TFD for 8 or 24 weeks to induce NAFLD or NASH,
ST:STUDY_SUMMARY                 	Targeted analyses examined diacylglycerols and ceramides in 6-8 mice per group
ST:STUDY_SUMMARY                 	4 groups including 8 week control, 24 week control, 8 week TFD, and 24 week
ST:STUDY_SUMMARY                 	Samples were analyzed via UHPLC-HRMS
ST:INSTITUTE                     	University of Florida
ST:DEPARTMENT                    	Chemistry
ST:LABORATORY                    	Yost Laboratory
ST:LAST_NAME                     	Patterson
ST:FIRST_NAME                    	Rainey
ST:ADDRESS                       	214 Leigh Hall, University of Florida, Gainesville, FL 32611
ST:EMAIL                         	rpatterson@chem.ufl.edu
ST:PHONE                         	392-352-0551
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	28
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL/6
SU:AGE_OR_AGE_RANGE              	8 or 24 week
SU:GENDER                        	male
SU:ANIMAL_ANIMAL_SUPPLIER        	Jackson Laboratories
SU:ANIMAL_FEED                   	Control (Research Diets, Inc. # D09100304) and trans-fat diet (Research Diets,
SU:ANIMAL_FEED                   	# D09100301)
SU:SPECIES_GROUP                 	Mammal
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	4/16/2013 - Control E	QE1_REP_18_01	Age (weeks):24 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	4/15/2013 - Control A	QE1_REP_18_02	Age (weeks):24 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	4/16/2013 - Control D	QE1_REP_18_05	Age (weeks):24 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	4/16/2013 - Control C	QE1_REP_18_06	Age (weeks):24 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	4/15/2013 - Control B	QE1_REP_18_09	Age (weeks):24 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	8/12/2013 - A2	QE1_REP_18_11	Age (weeks):24 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	8/15/2013 - A3	QE1_REP_18_12	Age (weeks):24 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	8/6/2013 - A1	QE1_REP_18_14	Age (weeks):24 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	4/15/2013 - TF B	QE1_REP_18_03	Age (weeks):24 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	4/15/2013 - TF A	QE1_REP_18_04	Age (weeks):24 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	4/16/2013 - TF D	QE1_REP_18_07	Age (weeks):24 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	4/16/2013 - TF E	QE1_REP_18_08	Age (weeks):24 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	8/17/2013 - B3	QE1_REP_18_10	Age (weeks):24 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	8/5/2013 - B1	QE1_REP_18_13	Age (weeks):24 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	8/9/2013 - B2	QE1_REP_18_15	Age (weeks):24 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	6/2/2014 - A1	QE1_REP_18_16	Age (weeks):8 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	6/5/2014 - A2	QE1_REP_18_17	Age (weeks):8 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	6/10/2014 - A3	QE1_REP_18_19	Age (weeks):8 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	3/3/2014 - A1	QE1_REP_18_23	Age (weeks):8 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	3/10/2014 - A2	QE1_REP_18_24	Age (weeks):8 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	7/31/2013 - A1	QE1_REP_18_27	Age (weeks):8 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	7/31/2013 - A2	QE1_REP_18_29	Age (weeks):8 | Diet:Control	
SUBJECT_SAMPLE_FACTORS           	6/4/2014 - B1	QE1_REP_18_18	Age (weeks):8 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	6/9/2014 - B3	QE1_REP_18_20	Age (weeks):8 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	6/6/2014 - B2	QE1_REP_18_21	Age (weeks):8 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	3/5/2014 - B2	QE1_REP_18_22	Age (weeks):8 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	3/11/2014 - B3	QE1_REP_18_25	Age (weeks):8 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	3/4/2014 - B1	QE1_REP_18_26	Age (weeks):8 | Diet:Trans Fat Diet	
SUBJECT_SAMPLE_FACTORS           	7/23/2013 - B1	QE1_REP_18_28	Age (weeks):8 | Diet:Trans Fat Diet	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
CO:SAMPLE_TYPE                   	tissue (liver)
CO:COLLECTION_METHOD             	tissue flash frozen in liquid nitrogen immediately after sacrifice
#TREATMENT
TR:TREATMENT_SUMMARY             	Mice were either fed a control diet or high fructose trans-fat diet for 8 or 24
TR:TREATMENT_COMPOUND            	diet (Research Diets, Inc)
TR:TREATMENT_ROUTE               	oral
TR:ANIMAL_ANESTHESIA             	isoflurane (3% in O2)
TR:ANIMAL_ENDP_CLINICAL_SIGNS    	accompanied histology
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Tissues were cryogenically ground prior to beign weighed and homogenized in
SP:SAMPLEPREP_SUMMARY            	and methanol for the Folch extraction
SP:PROCESSING_METHOD             	homogenization (zirconium beads, 1.0 mm diameter), lipid extraction
SP:PROCESSING_STORAGE_CONDITIONS 	Liquid nitrogen and on ice
SP:EXTRACTION_METHOD             	Folch
SP:EXTRACT_STORAGE               	-80C
SP:SAMPLE_RESUSPENSION           	isopropanol
SP:SAMPLE_SPIKING                	Internal Standards: Cer(d18:1/17:0) and d5-DAG (20:2/20:2) and d5-DG (20:5/20:5)
SP:ORGAN                         	liver
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Waters Acquity BEH C18 (2.1 x 50 mm, 1.7 um) with guard was used to separate
CH:CHROMATOGRAPHY_SUMMARY        	with mobile phases made of isopropanol, acetonitrile, and water.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (50 x 2.1mm, 1.7um)
CH:METHODS_FILENAME              	REP_18
CH:COLUMN_TEMPERATURE            	30 C
CH:FLOW_GRADIENT                 	32% B to 98% B over 18 mins
CH:FLOW_RATE                     	0.5 mL/min
CH:INJECTION_TEMPERATURE         	4 C
CH:SOLVENT_A                     	60:40 acetonitrile:water (10 mM ammonium formate, 0.1% formic acid)
CH:SOLVENT_B                     	90:10 isopropanol:acetonitrile (10 mM ammonium formate, 0.1% formic acid)
CH:ANALYTICAL_TIME               	18 mins
CH:CAPILLARY_VOLTAGE             	350 C
CH:TIME_PROGRAM                  	0-1 min: 32%B --> 1-1.5 min: 40% B --> 4 min: 45% B --> 5 min: 50% B --> 8 min:
CH:TIME_PROGRAM                  	B --> 11 min: 70% B --> 14 min: 80% B --> 16-17 min: 100%B --> 18 min: 32%B -->
CH:TIME_PROGRAM                  	min: 32% B
CH:STRONG_WASH_SOLVENT_NAME      	1:1:1 isopropanol:acetonitrile:water
CH:STRONG_WASH_VOLUME            	100 uL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Garrett Laboratory
AN:ACQUISITION_DATE              	41823
AN:ACQUISITION_PARAMETERS_FILE   	REP_18
AN:OPERATOR_NAME                 	Rainey Patterson
AN:PROCESSING_PARAMETERS_FILE    	REP_18_sequence_processing
AN:DETECTOR_TYPE                 	orbitrap
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:CAPILLARY_TEMPERATURE         	300
MS:DRY_GAS_FLOW                  	30
MS:ION_SOURCE_TEMPERATURE        	350
MS:ION_SPRAY_VOLTAGE             	3500
MS:MASS_ACCURACY                 	3 ppm
MS:AUTOMATIC_GAIN_CONTROL        	3000000
MS:DESOLVATION_TEMPERATURE       	350
MS:RESOLUTION_SETTING            	17500
MS:SCAN_RANGE_MOVERZ             	150-2000
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	nmol/g liver protein
MS_METABOLITE_DATA_START
Samples	QE1_REP_18_01	QE1_REP_18_02	QE1_REP_18_05	QE1_REP_18_06	QE1_REP_18_09	QE1_REP_18_11	QE1_REP_18_12	QE1_REP_18_14	QE1_REP_18_03	QE1_REP_18_04	QE1_REP_18_07	QE1_REP_18_08	QE1_REP_18_10	QE1_REP_18_13	QE1_REP_18_15	QE1_REP_18_16	QE1_REP_18_17	QE1_REP_18_19	QE1_REP_18_23	QE1_REP_18_24	QE1_REP_18_27	QE1_REP_18_29	QE1_REP_18_18	QE1_REP_18_20	QE1_REP_18_21	QE1_REP_18_22	QE1_REP_18_25	QE1_REP_18_26
Factors	Age (weeks):24 | Diet:Control	Age (weeks):24 | Diet:Control	Age (weeks):24 | Diet:Control	Age (weeks):24 | Diet:Control	Age (weeks):24 | Diet:Control	Age (weeks):24 | Diet:Control	Age (weeks):24 | Diet:Control	Age (weeks):24 | Diet:Control	Age (weeks):24 | Diet:Trans Fat Diet	Age (weeks):24 | Diet:Trans Fat Diet	Age (weeks):24 | Diet:Trans Fat Diet	Age (weeks):24 | Diet:Trans Fat Diet	Age (weeks):24 | Diet:Trans Fat Diet	Age (weeks):24 | Diet:Trans Fat Diet	Age (weeks):24 | Diet:Trans Fat Diet	Age (weeks):8 | Diet:Control	Age (weeks):8 | Diet:Control	Age (weeks):8 | Diet:Control	Age (weeks):8 | Diet:Control	Age (weeks):8 | Diet:Control	Age (weeks):8 | Diet:Control	Age (weeks):8 | Diet:Control	Age (weeks):8 | Diet:Trans Fat Diet	Age (weeks):8 | Diet:Trans Fat Diet	Age (weeks):8 | Diet:Trans Fat Diet	Age (weeks):8 | Diet:Trans Fat Diet	Age (weeks):8 | Diet:Trans Fat Diet	Age (weeks):8 | Diet:Trans Fat Diet
Cer(d18:1/16:0)	39.7781	43.5475	44.5386	54.3828	52.6249	49.5199	63.1386	58.2842	60.7369	62.0321	88.7485	102.9011	91.7774	73.8710	107.7551	68.4652	52.9173	52.9571	43.0869	57.9738	41.6995	44.0501	82.4208	72.7379	87.2239	44.0868	100.8398	59.3115
Cer(d18:1/18:0)	620.7596	868.9008	893.4733	775.6084	743.4802	402.6260	810.5499	1114.4681	1648.8060	1906.4218	2033.0780	2023.1317	1428.2899	1087.9876	1350.5062	769.6561	544.1239	635.7141	989.1692	1006.6683	525.5759	409.5315	1598.4569	1399.6623	1482.1400	1108.7001	1609.4389	1713.2757
Cer(d18:1/20:0)	2.0240	2.4023	2.0397	2.8429	3.4568	1.6594	2.5250	2.4511	3.2538	1.5034	2.1626	3.3948	3.2832	2.7101	2.5458	2.5876	1.5946	2.1779	1.7220	2.2769	1.6948	2.0633	5.5460	1.4563	5.1034	3.4005	6.0580	5.2417
Cer(d18:1/22:0)	24.9634	33.6550	27.1965	38.1649	33.1818	30.4058	32.0431	36.6563	57.4525	52.5575	47.8227	70.2183	82.1869	68.1278	49.4671	25.7735	23.3249	22.4577	29.5000	23.9449	35.2248	43.7170	108.5357	33.0012	88.7332	77.9824	97.9068	114.8795
Cer(d18:1/23:0)	81.9490	114.9878	106.5895	141.6328	125.9117	119.5699	126.9789	140.2196	208.9623	167.7022	181.1160	256.8158	262.6973	249.0004	243.8128	107.8788	81.2736	101.2288	122.2549	108.3562	126.4502	115.0364	259.1493	155.0116	236.6128	289.6079	290.7599	248.9323
Cer(d18:1/24:0)	172.2832	197.0231	239.7523	326.4438	245.8957	255.7798	263.9447	285.7853	424.5555	467.3787	452.9809	564.8232	583.3818	498.6609	580.0252	251.7157	183.0515	204.5579	303.5603	230.0910	321.5916	227.2466	429.3529	360.2060	458.8751	470.6357	472.8901	446.7553
Cer(d18:1/24:1)	308.1160	386.9164	384.5171	431.9039	434.7972	395.2349	500.2172	497.3896	649.2463	804.3999	828.4616	950.1980	822.2230	807.6684	926.5531	394.2033	452.1293	396.9903	394.6519	424.6991	381.5692	371.4546	791.8552	806.6450	811.6865	672.0038	881.9821	699.6017
DG(16:0_16:1)	9.9279	25.0309	5.9933	9.4012	24.7511	9.6137	17.4571	17.0286	55.6992	47.9292	79.7569	82.2885	77.5181	69.9701		15.1842	14.6329	20.0307	9.3874	9.4463	4.8474	0.0674	55.0809	17.3620	42.2707	14.2756	67.3903	33.4319
DG(16:0_18:0)	21.2770	37.3369	26.0810	31.9324	33.3377	21.9923	32.8746	61.0566	60.8743	127.0614	60.3401	174.5808	80.0002	71.2089		26.7035	16.0395	25.9728	57.3040	60.3992	20.1574	21.9670	60.4981	105.8771	62.1439	41.6228	102.3315	52.1500
DG(16:0_18:1)	166.9829	343.8619	115.3486	123.3322	403.4542	166.0794	277.1147	291.5946	3678.5436	2805.3142	3677.5007	4231.8699	4366.1157	3808.2200		305.3410	269.3579	248.6437	203.4654	250.9471	126.4905	330.8696	2239.1208	1292.9722	1380.6250	499.8252	2856.4770	1398.5917
DG(16:0_20:4)	59.1366	102.0364	56.0371	75.0479	101.9877	69.8559	87.3766	147.4564	98.4318	237.6906	89.6775	137.2375	134.8396	114.5942		67.1097	125.0501	81.6426	69.5824	41.9698	45.3691	305.1035	86.5291	91.1211	81.9992	60.1048	90.5709	82.1117
DG(16:0_22:6)	91.0344	144.5224	74.4874	101.1725	170.6430	84.9707	134.6402	135.4701	254.6623	234.2004	266.7792	408.6804	367.9773	285.1194		161.2830	149.9072	143.6531	96.8395	96.4453	73.0306	120.6531	259.5340	328.8478	222.2027	112.7172	316.4298	226.4722
DG(16:1/16:1)	5.4466	14.9868	2.5572	3.8001	11.5433	4.6357	6.8895	9.9341	38.9271	33.5099	65.4912	66.6271	61.3863	50.4899		12.0467	8.7146	10.8656	5.9157	7.5445	3.3360	10.8637	36.4603	20.0077	28.5250	10.7430	55.2516	30.0141
DG(16:1_18:2)	58.5580	362.7016	33.9843	48.5904	99.6846	59.0513	77.1401	121.1453	437.2512	355.6127	728.5546	756.4693	778.7148	595.8379		101.7634	75.2926	104.9747	75.0331	73.8670	38.8940	132.7889	472.8982	226.4421	340.8841	154.2871	741.2079	444.7272
DG(16:1_22:6)	14.1502	21.9677	8.4900	10.3592	21.9606	10.5269	19.2064	22.0659	57.0155	52.6087	71.0118	95.7251	98.1999	66.7358		22.6079	15.8177	21.3337	10.9038	17.4405	9.0063	13.6292	51.2955	55.5513	42.1016	14.4127	68.2392	45.2220
DG(18:0_20:4)	19.8254	41.6100	17.0954	18.4014	46.9157	31.4211	35.7941	40.8797	957.8201	738.0675	791.3830	978.5910	973.7545	905.8709		40.4207	68.8443	31.1375	41.2224	33.0756	35.7044	52.5909	390.5001	454.7137	262.0077	79.2988	458.5383	241.8469
DG(18:0_22:6)	27.4334	32.2528	33.4677	27.5283	45.9750	25.3340	46.1819	34.3937	60.7284	43.6146	53.2933	89.1393	62.0289	52.4986		45.1525	47.2504	36.9169	20.4396	25.4659	21.4106	35.8432	52.0532	52.6930	49.9250	28.4685	60.7814	46.0941
DG(18:1_18:1)	123.0305	230.6899	78.2485	109.6153	318.0752	118.4212	238.2691	209.0271	982.7676	820.1735	1148.3130	1249.9220	1299.6281	1122.7178		206.6086	198.3702	181.7342	122.3671	130.3986	80.3048	244.6662	826.4474	283.2206	633.7573	201.3268	977.9286	538.7978
DG(18:1_18:2)	258.5422	621.6844	207.2696	214.4745	459.3097	366.5338	349.1044	495.8505	3336.4813	2246.2908	3854.5011	4414.7875	4502.6758	3548.9290		611.0848	404.3495	467.9177	448.4842	467.0320	279.6791	2.2932	2591.5185	1791.7533	1514.1894	756.2850	3583.1999	2056.8431
DG(18:1/18:2)	106.8357	296.1729	95.3875	100.6706	178.5314	192.4303	150.1643	240.9611	794.9463	484.0618	1114.8438	1202.3421	1149.6082	845.5326		319.3300	190.6388	211.5387	252.4096	240.0837	171.1044	301.0946	809.2577	624.7287	449.6712	270.9542	1263.2017	780.2258
DG(18:1_20:4)	74.8000	163.0821	59.5995	76.5293	147.0147	102.2456	119.0956	138.6594	853.9469	708.3542	791.8359	1109.5280	1050.1288	894.4312		118.6898	194.9593	128.2579	110.5441	92.6906	71.3957	134.4520	430.6613	725.1115	305.2579	175.7810	564.8346	311.0661
DG(18:1_22:6)	36.5603	72.8816	38.7919	41.3679	66.2223	65.6773	54.9272	81.0092	321.9143	214.0822	317.3620	452.6732	386.0501	274.9138		86.3300	137.4968	63.5975	87.6696	84.5924	76.9433	74.3925	190.7172	433.9554	127.5717	70.4013	298.9677	177.9701
DG(18:2_20:2)	98.5345	103.5644	113.1466	109.8721	147.6850	93.1703	131.7019	105.0662	183.1410	141.2845	143.2375	242.1309	208.1669	192.2062		95.8031	208.4954	126.4097	114.9717	123.9132	81.9168	95.5448	174.0847	181.1472	128.5732	83.3638	156.9602	121.8863
DG(18:2_20:4)	34.9326	84.0297	28.4855	38.5051	57.2380	54.0274	52.7585	69.2336	240.0247	200.0214	282.4264	336.1700	322.2966	251.7471		86.1033	85.0637	70.9711	72.9068	68.9022	46.5165	74.6987	125.2005	244.1513	83.6673	43.1246	196.5524	107.4454
DG(20:2_20:4)	8.2529	16.2863	10.1829	7.0548	14.2116	18.5944	15.6630	16.9445	131.6394	95.7937	87.5561	130.3920	143.1624	139.3650		18.1927	82.6630	15.9971	19.2505	19.0099	18.1272	18.2705	43.6571	200.4166	27.0056	8.8640	64.3484	20.7524
DG(22:6/22:6)	806.1015	1521.9937	739.9514	1164.6219	1028.1325	910.7842	1296.8658	1166.0129	1564.0788	1291.7865	1658.3340	1598.8738	1745.7966	1583.4455		1625.5563	1268.1948	1677.8766	1119.8592	1232.3961	791.9420	1007.9647	1633.3492	1229.2447	1745.3093	1437.7771	1961.5918	1733.8680
DG(34:2)	212.7994	471.5729	148.7958	194.6848	432.2502	257.7651	351.1493	371.9573	1205.2626	922.8702	1631.5621	1757.7310	1812.2255	1480.2005		421.9807	331.3654	381.0730	255.7488	247.1008	169.0161	503.0231	1205.0366	477.5234	883.2088	343.7506	1525.2360	948.7232
HexCer(d18:1/16:0)	37.8801	37.0135	45.4564	59.1811	38.4525	43.3462	60.2060	61.2683	34.8594	64.2418	53.4559	45.8745	45.9741	35.0262	52.7075	84.4044	34.5137	43.0993	56.9001	62.5295	37.2266	34.0857	24.3112	44.4935	25.2951	15.8788	35.7142	26.0075
HexCer(d18:1/22:0)	98.3851	109.9975	117.7848	144.5402	102.4621	110.9854	129.9690	148.7660	62.7123	106.2343	90.9827	102.7565	97.4873	88.8033	96.6395	174.4614	78.3504	107.9029	145.2998	149.6860	139.7905	106.7543	101.7559	123.4687	88.0667	12.8685	121.6463	106.9972
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
Cer(d18:1/16:0)				5283564				UFLORIDA_FEATURE
Cer(d18:1/18:0)				5283565		C00195		UFLORIDA_FEATURE
Cer(d18:1/20:0)				5283566				UFLORIDA_FEATURE
Cer(d18:1/22:0)				5283567				UFLORIDA_FEATURE
Cer(d18:1/23:0)				52931115				UFLORIDA_FEATURE
Cer(d18:1/24:0)				5283571				UFLORIDA_FEATURE
Cer(d18:1/24:1)				5283568				UFLORIDA_FEATURE
DG(16:0_16:1)								UFLORIDA_FEATURE
DG(16:0_18:0)								UFLORIDA_FEATURE
DG(16:0_18:1)								UFLORIDA_FEATURE
DG(16:0_20:4)								UFLORIDA_FEATURE
DG(16:0_22:6)								UFLORIDA_FEATURE
DG(16:1/16:1)								UFLORIDA_FEATURE
DG(16:1_18:2)								UFLORIDA_FEATURE
DG(16:1_22:6)								UFLORIDA_FEATURE
DG(18:0_20:4)								UFLORIDA_FEATURE
DG(18:0_22:6)								UFLORIDA_FEATURE
DG(18:1_18:1)								UFLORIDA_FEATURE
DG(18:1_18:2)								UFLORIDA_FEATURE
DG(18:1/18:2)								UFLORIDA_FEATURE
DG(18:1_20:4)								UFLORIDA_FEATURE
DG(18:1_22:6)								UFLORIDA_FEATURE
DG(18:2_20:2)								UFLORIDA_FEATURE
DG(18:2_20:4)								UFLORIDA_FEATURE
DG(20:2_20:4)								UFLORIDA_FEATURE
DG(22:6/22:6)								UFLORIDA_FEATURE
DG(34:2)								UFLORIDA_FEATURE
HexCer(d18:1/16:0)								UFLORIDA_FEATURE
HexCer(d18:1/22:0)								UFLORIDA_FEATURE
METABOLITES_END
#END