#METABOLOMICS WORKBENCH sbhattacharya_20170606_122506 DATATRACK_ID:971 STUDY_ID:ST000620 ANALYSIS_ID:AN000952 PROJECT_ID:PR000453
VERSION             	1
CREATED_ON             	June 15, 2017, 2:42 pm
#PROJECT
PR:PROJECT_TITLE                 	DBA2J Mice Aqueous Humor and Trabecular Meshwork Sphingolipids
PR:PROJECT_SUMMARY               	Identified the sphingolipid and ceramide species and their quantitative
PR:PROJECT_SUMMARY               	differences between normotensive and hypertensive intraocular pressure states in
PR:PROJECT_SUMMARY               	DBA/2J mouse aqueous humor (AH) and trabecular meshwork (TM).
PR:INSTITUTE                     	University of Miami
PR:LAST_NAME                     	Bhattacharya
PR:FIRST_NAME                    	Sanjoy
PR:ADDRESS                       	1638 NW 10th Avenue, Miami, Florida, 33136, USA
PR:EMAIL                         	sbhattacharya@med.miami.edu
PR:PHONE                         	3054824103
#STUDY
ST:STUDY_TITLE                   	Sphingolipid Analysis of hyper and normotensive DBA2J mice aqueous humor and
ST:STUDY_TITLE                   	trabecular meshwork
ST:STUDY_SUMMARY                 	To determine the differential profiles of sphingomyelin, sphingoid base,
ST:STUDY_SUMMARY                 	sphingoid base-1-phosphate, and ceramide and their quantitative differences
ST:STUDY_SUMMARY                 	between trabecular meshwork (TM) and aqueous humor (AH) derived from
ST:STUDY_SUMMARY                 	normotensive and hypertensive intraocular pressure states of DBA/2J mice.
ST:INSTITUTE                     	University of Miami
ST:LAST_NAME                     	Bhattacharya
ST:FIRST_NAME                    	Sanjoy
ST:ADDRESS                       	McKnight Vision Research Building, Bascom Palmer Eye Institute, University of
ST:ADDRESS                       	Miami Miller School of Medicine, 1638 NW 10th Avenue, Room 706A, Miami, Florida
ST:ADDRESS                       	33136
ST:EMAIL                         	SBhattacharya@med.miami.edu
ST:PHONE                         	305-482-4103
#SUBJECT
SU:SUBJECT_TYPE                  	Mouse
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	3M_FAH	Phenotype:Normotensive	Tissue Location=AH; Age (months)=3; Sex=F
SUBJECT_SAMPLE_FACTORS           	-	3M_FTM	Phenotype:Normotensive	Tissue Location=TM; Age (months)=3; Sex=F
SUBJECT_SAMPLE_FACTORS           	-	3M_MAH	Phenotype:Normotensive	Tissue Location=AH; Age (months)=3; Sex=M
SUBJECT_SAMPLE_FACTORS           	-	3M_MTM	Phenotype:Normotensive	Tissue Location=TM; Age (months)=3; Sex=M
SUBJECT_SAMPLE_FACTORS           	-	7.5M_FAH	Phenotype:Normotensive	Tissue Location=AH; Age (months)=7.5; Sex=F
SUBJECT_SAMPLE_FACTORS           	-	7.5M_FTM	Phenotype:Normotensive	Tissue Location=TM; Age (months)=7.5; Sex=F
SUBJECT_SAMPLE_FACTORS           	-	7.5M_MAH	Phenotype:Normotensive	Tissue Location=AH; Age (months)=7.5; Sex=M
SUBJECT_SAMPLE_FACTORS           	-	7.5M_MTM	Phenotype:Normotensive	Tissue Location=TM; Age (months)=7.5; Sex=M
SUBJECT_SAMPLE_FACTORS           	-	8-8.5M_FAH	Phenotype:Hypertensive	Tissue Location=AH; Age (months)=8-8.5; Sex=F
SUBJECT_SAMPLE_FACTORS           	-	8-8.5M_FTM	Phenotype:Hypertensive	Tissue Location=TM; Age (months)=8-8.5; Sex=F
SUBJECT_SAMPLE_FACTORS           	-	8-8.5M_MAH	Phenotype:Hypertensive	Tissue Location=AH; Age (months)=8-8.5; Sex=M
SUBJECT_SAMPLE_FACTORS           	-	8-8.5M_MTM	Phenotype:Hypertensive	Tissue Location=TM; Age (months)=8-8.5; Sex=M
SUBJECT_SAMPLE_FACTORS           	-	10M_FAH	Phenotype:Hypertensive	Tissue Location=AH; Age (months)=10; Sex=F
SUBJECT_SAMPLE_FACTORS           	-	10M_FTM	Phenotype:Hypertensive	Tissue Location=TM; Age (months)=10; Sex=F
SUBJECT_SAMPLE_FACTORS           	-	10M_MAH	Phenotype:Hypertensive	Tissue Location=AH; Age (months)=10; Sex=M
SUBJECT_SAMPLE_FACTORS           	-	10M_MTM	Phenotype:Hypertensive	Tissue Location=TM; Age (months)=10; Sex=M
SUBJECT_SAMPLE_FACTORS           	-	12M_FAH	Phenotype:Hypertensive	Tissue Location=AH; Age (months)=12; Sex=F
SUBJECT_SAMPLE_FACTORS           	-	12M_FTM	Phenotype:Hypertensive	Tissue Location=TM; Age (months)=12; Sex=F
SUBJECT_SAMPLE_FACTORS           	-	12M_MAH	Phenotype:Hypertensive	Tissue Location=AH; Age (months)=12; Sex=M
SUBJECT_SAMPLE_FACTORS           	-	12M_MTM	Phenotype:Hypertensive	Tissue Location=TH; Age (months)=12; Sex=M
#COLLECTION
CO:COLLECTION_SUMMARY            	Breeding pairs of DBA/2J mice originally procured from The Jackson Laboratory
CO:COLLECTION_SUMMARY            	(Bar Harbor, ME) were maintained at the animal facility/McKnight vivarium at
CO:COLLECTION_SUMMARY            	University of Miami Miller School of Medicine. All animal protocols were
CO:COLLECTION_SUMMARY            	reviewed and approved by Institutional Animal Care and Use Committee (IACUC) and
CO:COLLECTION_SUMMARY            	in accordance with the ARVO statement for use of animals in ophthalmic and
CO:COLLECTION_SUMMARY            	vision research. Mice gender and ages used are as indicated in individual
CO:COLLECTION_SUMMARY            	experiments with an n=40 for each time point unless stated otherwise. IOP
CO:COLLECTION_SUMMARY            	measurements were obtained using a TonoLab instrument (Colonial Medical
CO:COLLECTION_SUMMARY            	Supplies, NH). Average IOP from two weeks of twice daily measurements were
CO:COLLECTION_SUMMARY            	calculated. We considered ~3-7.5 month old mice as normotensive (IOP ≤15 mm of
CO:COLLECTION_SUMMARY            	Hg) and ~8-12 month old mice as hypertensive when carefully measured IOP showed
CO:COLLECTION_SUMMARY            	an IOP ≥18mm of Hg at every single measurement. For the normotensive group no
CO:COLLECTION_SUMMARY            	single IOP measurement had been >17 mm of Hg and average IOP over two weeks of
CO:COLLECTION_SUMMARY            	measurement had been ≤15 mm of Hg. At 8-9 months of age the IOP elevation in
CO:COLLECTION_SUMMARY            	DBA/2J mice is asynchronous and thus any mice that showed an IOP <18 mm of Hg at
CO:COLLECTION_SUMMARY            	any single point measurement was excluded from the study. Normotensive and
CO:COLLECTION_SUMMARY            	hypertensive AH was sampled from the anterior chamber of DBA/2J mice by
CO:COLLECTION_SUMMARY            	paracentesis via syringe (catalog no. 7635-01 Hamilton, Reno, Nevada) with a
CO:COLLECTION_SUMMARY            	small 33 gauge removable needle (701RN, catalog no. 7803-05 Hamilton, Reno,
CO:COLLECTION_SUMMARY            	Nevada), which is a well established procedure. The syringe and needle were
CO:COLLECTION_SUMMARY            	rinsed with LC-MS grade water 5 times preceding and following extraction to
CO:COLLECTION_SUMMARY            	flush out impurities. To ensure that samples are contamination free, in between
CO:COLLECTION_SUMMARY            	the samples, the wash from a syringe was also evaluated using mass spectrometry.
CO:COLLECTION_SUMMARY            	Prior to collection, mice were anesthetized with an injection (0.1ml) of
CO:COLLECTION_SUMMARY            	ketamine (100mg/kg) and xylazine (9mg/kg) administered intraperitoneally. A drop
CO:COLLECTION_SUMMARY            	of tetracaine hydrochloride ophthalmic solution, 0.5% (Bausch & Lomb, USA) was
CO:COLLECTION_SUMMARY            	used to anesthetize the ocular surface just prior to sample collection. A total
CO:COLLECTION_SUMMARY            	of ~1-2 μl of AH was collected per animal and used for lipid extraction.
CO:COLLECTION_SUMMARY            	Surgical removal of TM samples after euthanasia followed established protocols.
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment was applied
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	AH and TM samples were subjected to lipid extraction using suitable modification
SP:SAMPLEPREP_SUMMARY            	of the Bligh and Dryer method. All extractions were made without addition of any
SP:SAMPLEPREP_SUMMARY            	extraneous ions such as lithium or acetate ions unless stated otherwise. Some
SP:SAMPLEPREP_SUMMARY            	confirmatory additional experiments were performed, where 1mM LiCl or 1mM
SP:SAMPLEPREP_SUMMARY            	ammonium acetate (for positive and negative ion mode analyses, respectively) was
SP:SAMPLEPREP_SUMMARY            	added to the aliquot being analyzed just before analyses. The samples were dried
SP:SAMPLEPREP_SUMMARY            	with a Speed-Vac and flushed with argon gas. Uniformity of extraction was
SP:SAMPLEPREP_SUMMARY            	ensured with an added external standard (1,
SP:SAMPLEPREP_SUMMARY            	2-ditridecanoyl-snglycero-3-phosphocholine) during tissue homogenization. All
SP:SAMPLEPREP_SUMMARY            	extractions and subsequent handling were done using glass vials to avoid
SP:SAMPLEPREP_SUMMARY            	contaminating impurities. Extracted lipids were dried and resuspended in LC-MS
SP:SAMPLEPREP_SUMMARY            	grade Acetonitrile:Isopropanol (1:1).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	None (Direct infusion)
CH:INSTRUMENT_NAME               	None
CH:COLUMN_NAME                   	none
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Thermo Quantiva Access Max
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak Area
MS_METABOLITE_DATA_START
Samples	3M_FAH	3M_FTM	3M_MAH	3M_MTM	7.5M_FAH	7.5M_FTM	7.5M_MAH	7.5M_MTM	8-8.5M_FAH	8-8.5M_FTM	8-8.5M_MAH	8-8.5M_MTM	10M_FAH	10M_FTM	10M_MAH	10M_MTM	12M_FAH	12M_FTM	12M_MAH	12M_MTM
Factors	Phenotype:Normotensive	Phenotype:Normotensive	Phenotype:Normotensive	Phenotype:Normotensive	Phenotype:Normotensive	Phenotype:Normotensive	Phenotype:Normotensive	Phenotype:Normotensive	Phenotype:Hypertensive	Phenotype:Hypertensive	Phenotype:Hypertensive	Phenotype:Hypertensive	Phenotype:Hypertensive	Phenotype:Hypertensive	Phenotype:Hypertensive	Phenotype:Hypertensive	Phenotype:Hypertensive	Phenotype:Hypertensive	Phenotype:Hypertensive	Phenotype:Hypertensive
SM(d18:0/26:0)	30428.60168					4125.015211	9048.721133													2900.553559
SM(d17:1/26:1)	3837.329779			13695.71385												2742.538647			3617.584006	
SM(d18:1/17:0)	992.4614763				2586.226448		2680.063769										1979.804149			
Sphingosine-1-phosphate	80092.03664	19833.46614	5455.66959	117593.0812	52150.98272	138684.1656	5140.917534	14013.46792	611.8863373	41499.59747	15825.0176	45411.44369			2781.675018	84426.38332	67198.35075	1213.667035		38924.08897
Sphinganine-phosphate	86335.59822	15307.4342	8006.621895	49717.82173	34732.29739	2435.214452			17840.76558	118320.7677	292.0271169	11040.86847		4394.028686		8980.026753	18563.39083		7875.030744	6493.61665
Sphingosine	623946.7832	209661.7963	38802.90289	756419.5461	533098.1596	20645.15706	227923.5653	114309.9454	448352.831	1489623.873	5021.614278	656030.3486	15208.72811		69455.1573	417250.6039	237112.2969	26156.52337	29377.77458	328496.0842
Fumonisin C2	493983.8097	12663.32804	2785.378083	38897.37003			2080.976509	8866.670501	78001.38449			12767.42845			90290.7603	14033.54671	49675.7136	43733.1939	188999.3162	88138.43064
Fumonisin B2	239120.6883	111476.417		4701.177046	111809.7672	97365.66681		69934.23192	172735.6197	18181.72367					11570.30371	383703.0157	38549.71231	497472.6723	73709.46981	260054.5215
Sphingosine-1-phosphocholine	197732.8683	29521.13654	76076.51779	868885.3085	576853.1916	23529.77839	343325.9733	43302.61979	207399.1704	10338.42373	2097.088148	3578.878742				55066.65848	198959.4372	37647.03444	91362.87341	228313.5057
Penaresidin A	145683.2975	43957.58173		58239.97861	126299.0746	1016.325721	111343.3818	2204.954927	2468.884335	21695.80561		40515.57492					2478.736416	64910.53107	1568.920866	67189.12199
Fumonisin B4	122654.5113			109577.7961	14403.39227	57063.50137	604314.0215	272813.6741	56999.21732	244536.8007		66077.92583			160641.478		225530.2777	19073.50341	79311.14811	101020.7532
Micropine	112866.7076	288728.343		53792.73099	249875.3602	67513.64594	44958.29685	77863.61662		50164.83496	1421.316231				12813.67288	69550.2773	25514.51012	5221.198671		104587.9631
Fumonisin C1	93600.99771	321572.1313		38022.06128	5204.415238	207688.2038	215649.322	144554.4384	75427.60427			6512.835039			47715.33708	396364.6961	126802.2387	71946.56238	29099.96947	252713.4054
Aplidiasphingosine	90402.27192	14406.41805		5865.967069			4107.998028	17647.71151	6691.211869	85509.51746	6167.835771					47209.60058	7779.796513	9203.441945	51722.83517	20404.9239
Rhizochalinin D	57421.27423	15445.28611		2167.576022	130842.705	11778.3253	8920.283739	8285.550946		30832.19606	19252.81689	24163.53723	10274.66441		8317.707453	25123.13025		28416.70324	78201.68949	
"N,N,N-trimethyl-sphingosine"	56358.68228	50258.22369	6656.621859	28191.59833	114610.402	243904.215	29426.60884	14648.94982	12434.17582	597974.0915		85048.56108			3380.641495	55299.26268		17313.95156	30941.2916	
Penazetidine A	53365.33606				92854.18502															
C17 Sphingosine	52757.90869	192440.375		9129.204735	49087.14348		12954.67635	117177.321	2567.864739			48962.26829	7744.183593			1989.280591	2946.49474		1168.173073	62321.67716
C16 Sphingosine-1-phosphate	50802.58204	6300.778588	2484.881641	29339.31874	192524.5687	3824.448788		14322.05955	5356.397268	16305.89754		96194.33041	1690.623407	5166.85481		1769.018724	2477.598642	21384.17084	8178.800562	
C16 Sphinganine-1-phosphate	47762.70442	2527.523127	2086.004556	37911.96197	230164.8452	57431.98963	64998.62066	11504.20639	60995.5849	66123.19448	4395.927328	10885.50564		26083.79512		15856.53929			2262.370763	2372.162534
C19 Sphingosine-1-phosphate	45706.47172	13067.80325	10813.12085	33625.78092	43325.22504	12635.44567	52870.74404		5894.948749	117235.3676		177329.6261			24303.42175	6360.927568	78022.19104	12696.16226	56361.58202	
"N,N-dimethylsphingosine"	37077.5645	56422.45587	24688.85995	12616.42925	39744.005	8854.695026	15279.10341		15384.39981	1775.200095		312536.4857			30766.86449	1209.881457	5610.757066	5058.82979	21159.09703	5409.782814
Leucettamol A	31924.57378	11634.81665			150751.6439	10278.12968	13816.74637	14346.59637	61561.24496							14313.27106	27232.35427		11197.87356	29181.28625
Sphinganine-1-phosphocholine	29623.89177	27700.23603	4089.087271	337090.5127	320482.2908	38953.46203	180626.8645	104750.6383	88685.37657	150233.5451		12116.91015			143255.822	198067.2311		39663.06581	6060.578415	143377.4903
Sulfamisterin	29132.2596	35682.84825		39494.57424	63492.55944	38125.80245	57147.52772	84308.36645	20036.07883	60117.2523		30132.89675			447.7650756		2507.894715		6947.721395	143466.7063
Hemsleyin imine A	28624.29563	6190.152135		50162.40981		3288.225543	64567.45229	143722.7561				31081.63367					4817.594582			
Fumonisin C4	24179.56763		6604.381134			52894.03212		3424.112952	20608.35529								58422.28617	8287.428503		
Fumonisin B1	23335.93667					114567.3088	113421.0123			2533.913378	3587.969704	14272.46323	389.3424058		9926.252991					28896.82012
C17 sphingosine-1-phosphocholine	22262.56049	8052.235774		40709.37912	8163.903916		109649.9805	904.941083	8828.575996	71334.73504		26262.96034			25813.70446	27119.18784	87936.96003	7039.217994	52091.98905	17826.63725
Halaminol A	21650.85562		2986.146418	5809.581037	21610.08525	44602.77229	163957.0675	160218.0142	71458.49965			26393.21511			21359.66254	212116.726	33294.08792		191423.5903	55593.61631
Plakoside A	19488.98863	22906.50303	22098.75044						76549.56999											
"(4E,6E,d14:2) sphingosine"	17670.88732	119485.4792	741.5965548	51157.5955	19017.23588	231130.6426	62482.9632	236209.6222	68446.90559		3787.508022	16721.4653	30829.00977		165178.1826	292440.9697	558342.8213	879.1068207	154164.1975	292759.457
R-Dysidazirine	17544.54453	81042.10503		2618.308874	17087.69448	25362.97933	6282.951505	3783.600855	1014.617102		1782.297798					12034.06779				
Scyphostatin A	16053.05603		24329.04588	13199.11689	154241.5053	138794.4815	259545.7794	49802.29598			6455.424372	32493.26745				49033.50497		285618.1597	11146.64586	17539.63319
Oceanalin A	15109.32988			11892.50663		14794.06432									14704.3513					130085.1552
C17 Sphingosine-1-phosphate	11342.44744	3394.493697	65320.99928	1064.544593		39712.37275	40228.88213	1379.022386	7739.247041	175272.6747	8296.571148	15857.23359	5787.340748	4920.020721		123632.7949	38531.82707	3203.498327	13842.93658	
C17 Sphinganine-1-phosphate	10484.34679	11082.54673		12672.59381	1120.448221	1120.448221	5879.036658	82272.74736		57730.36394	12009.23392	96580.42053			6661.579438	37116.8366	47058.15731		19288.11833	3412.340849
C14 sphingosine	7091.469305	52879.74321	19026.07833	145279.5997	48161.65568	116864.545	61097.87665	67031.52229	107763.6704	3575.271183		2543.383794	9034.714274		101632.303	11142.52841	21963.56373		107457.9939	60156.75077
Termitomycesphin A	6359.031925	11479.42695				6803.983536	206710.8783			13315.51913		32272.94681					20985.02599			
Sphinganine	1390.450818	54394.28953		34246.76575	142066.2248	28288.35197		35136.76569	71993.68065	49078.24929		3605.610499			70926.76746				39012.9518	13333.30753
Sphingofungin B	1017.131837	2668.559886	18234.20612	14262.2382	68214.49996	8146.182576		4063.717107	93599.40039	1431.046545					8298.953679	203.9932197		131303.7607		90636.83148
Dehydrophytosphingosine	824.7016698	77134.54177	58415.69814	2192.707897	370389.6009	4750.029124	48653.83435	25702.15271	181006.0191	108568.603		139712.2552	1422.448003		46780.26182	110353.7193	1431.454794	3136.493893	13391.46379	600.5086926
Xestoaminol C	462.1005861	55585.46606		4836.168911	40368.65891	4114.677612	13006.93963	836.2740613	34152.04752		24168.13673	2878.105909			632.4320445		26703.6135	6811.925019	183500.6566	17498.3045
Cer(d18:1/24:0)	123484.1753				2815.154298		8585.637831		68065.27345		25245.79191		4096.974184	8917.868488		2197.991655	6508.682321	12198.05104		10640.59135
Cer(d18:1/18:1(9Z))	91387.08388	159003.1181	89237.21946	459944.9696	807989.099	609926.3376	129666.3182	371838.0866	2667989.935		4356475.698		4491959.311	1381423.865	3605434.059	701769.6908	2094019.274	722899.8548	2879862.661	1702461.191
Cer(d18:1/19:0)	52194.27593	13337.78006	3765.097441	46617.02135	136059.2435		4896.855567	2805.525093	4336.345158		31725.74478		511.1575664	1077.93207	7749.006501	5388.75905	43454.58359	1398.508287	1335.725208	
Cer(d18:0/22:0)	34597.6408		13641.1124	6192.699953	62111.30165	7838.417823		8686.34323	4975.78811		6139.37991				32105.61546	2451.516842	4478.77872	38840.39371	33418.34869	13762.42592
Cer(d18:1/26:0)	32723.56025	3398.920346					722.3756872				5934.472621				10099.64029	363.28594		18734.789	1967.34652	
Cer(t20:0/26:0(2OH))	32232.2621	2435.21064						7109.236466			8769.662462					4066.627371	8784.828225		1426.947758	16285.7633
Cer(d18:2/15:0)	27685.05951	2030.161222	1983.820554		7928.503007				16828.24188		1261.54552		3999.044488	5452.26406	11756.25242	6465.821389		7862.386184	10472.44638	11383.89999
CerP(d18:1/2:0)	18774.609	688.4912252		2820.021512	4185.742216	74368.25055	10166.97894		19133.35481				13036.89904		780.9360707	4582.670725	9003.847188		1413.471935	890.7285732
Cer(d18:0/15:0)	16830.47847			16452.65821		15964.33265	16755.42361	1092.62505	206144.5789		7877.519921		23867.01438		30870.24606	12396.30839		48968.11091	97655.96692	24822.32747
CerP(d18:1/20:0)	15541.95431				3403.435729				3154.174655									1949.832724	3179.230368	16381.44476
Cer(d18:1/18:0)	10173.24372		9852.969465	7017.286759	17595.48802	37075.14601	2561.321328	15318.47475	34842.30716		582061.931		326164.3723	276253.7479	143251.6072	36784.27296	177334.752	34116.13645	109484.8274	65310.16896
Cer(d18:1/23:0)	10036.32398	3849.995891		4966.783404	1386.44637									1245.749032	8826.533117	7570.894099		4126.357137		
Cer(d18:2/14:0)	9356.030109	2246.580359		5093.512405	4023.16841				27658.37252		9097.106064		5081.033085		1056.083919	10525.21959	43531.94111	7019.402329	5721.282545	11673.17419
Cer(d18:0/20:0(2OH))	8625.418653	6391.308912			3538.404554		48658.80406		1311.675789		5905.65034		5132.966384			4303.453302	35215.0724	9896.702822	108200.3409	4533.116733
Cer(d20:0/26:0)	8502.907707			6174.298043	2608.408519		1913.811752	23720.8373			3133.768691		30140.84327		1178.321736	17877.08078	6502.735683		11728.83704	20234.50291
Cer(t18:0/24:0(2OH))	7747.145264	1357.559053					3895.799353		1053.594477						2353.33881		13565.87696	17109.61737	7640.010161	17717.01146
Cer(d18:1/17:0)	7578.23043			33252.29165	34586.92333			2867.499335	11049.40943		19952.91265			3991.505202	26283.04222		9016.246513		10645.57948	1389.524248
Cer(d18:0/26:0)	7351.834254			2880.713032		15658.23145	12334.30114		2051.652959				3555.431625	9412.668575	1746.973474	57563.73737		60158.1799	19554.31551	
Cer(d14:1(4E)/20:0(2OH))	6803.094709	3057.457909		38275.17373	14512.22046	3255.748336	2278.877705	7840.219665	25492.27969				45948.29027		7654.21782	14382.30765	27650.54389	15096.04745	53047.39597	29452.61059
Cer(d18:1/20:0)	6766.239178	20378.4495			12108.32495	1951.331522		10061.44768	20701.35523				3347.341439		68717.45127		10112.91484	1802.948182	62773.35399	42700.45958
Cer(d18:0/h24:0)	5977.621294			2514.660496	157695.997	11324.44796			9521.356298		10416.38325		4063.142223	9442.069144	6445.518671	5019.331402	42280.23267	105251.5838	3291.281494	66261.70984
Cer(d18:1/24:1(15Z))	5476.238709					7072.069531					6395.250408		4314.789263	10519.9442		23685.81377		21921.1666		
Cer(d18:2/16:0)	5457.925617	53117.61531	5765.56681	68127.65219	18361.36638	98471.21467	31126.29749	12500.93935	67145.79497		16021.55739		63799.63117			8416.839127		9907.284227	71123.90539	21404.1725
"Cer(d14:2(4E,6E)/18:1(9Z))"	5292.526455	17867.49369			6182.222777		42462.58678		14484.14872					1296.134145		5079.044981	4469.987359	1079.284834		1034.895066
Cer(t18:0/26:0(2OH))	5268.363524					7215.769972	1484.405394	1335.50395			5767.751734		2692.68754		11498.93343	975.2352739		1302.362695		
Cer(t18:0/20:0(2OH))	5068.897102					30518.62688			5044.941351					2136.816517			1117.638137			
Cer(t18:0/16:0(2OH))	4407.700079			15670.36955	2358.553474		11734.72104	8554.318159	17993.11497		21846.97176		45492.83022	36262.17601	1184.638641	18763.36763	5751.131932	1546.003158		
CerP(d18:1/26:0)	4250.713428	7053.420379					5254.651296		978.7891819						2318.668819	21988.61323		15757.37942	5755.701885	
CerP(d18:1/24:0)	3973.867087	63911.56336		8713.903584	16058.23196		2569.627219	3061.749263	27841.52682		10381.47632		42866.3158	34094.47163	19004.4803	163624.9035	2338.807796	59877.84956	7829.315833	
Cer(d14:1(4E)/22:0(2OH))	3692.340407	37948.23387				6785.509525	27448.07575	2889.798961	8625.008516		1741.028679		5230.723905		3571.301204	17844.37241	101015.9018	7829.037006	32589.30142	7977.4791
"Cer(d15:2(4E,6E)/22:0)"	3629.583968	582.9452576		4149.118201	176.0912675	21894.52761		1051.873251	14758.64009		9323.139547		2976.59626	2426.711978	5971.660484	3428.949467	75289.87419			
1-O-cerotoyl-Cer(d18:1/16:0)	3442.90455		1468.242672												20566.31491					
Cer(d18:2/20:1)	3160.206942	3243.025191		33558.64745				7728.220504	15307.34587		9345.586236			25650.42957	18936.55428	18442.18478	50795.14811	96221.95677		10092.11649
Cer(d18:0/24:0)	2746.296664	2291.176743			4217.531314	61088.67792	11089.06783				14233.21846		30915.99244	4828.365292	18662.73011	1792.731893		14343.73666	16504.72852	
1-O-eicosanoyl-Cer(d18:1/16:0)	2654.358974			722.960184									3737.484773		1282.127244	13264.86811			64186.91185	
Cer(d18:1/12:0)	1988.812668	2396.069672	877.9786673	9429.948321	29576.05053	3779.099045	10105.18436	40253.13939	9051.58228					564.2430672	4871.934634	735.3922553	767.0651	14289.471	6659.716455	8559.640218
CerP(d18:1/16:0)	1596.489499					2023.211227	5585.023744	1177.437877	4026.701212				6269.185147	7152.339057	5606.827758	2308.986092		56311.11101	14947.33503	26463.56813
Cer(d20:0/26:0(2OH))	1509.819469	23739.92542	1037.108226					12456.99547	5294.723486		19581.01823		3744.173386		17456.04948		48415.16514	21080.65635	12232.33231	17302.02177
Cer(d18:0/20:0)	923.4168539	2342.988589		10243.01086		7272.609102	4474.96553		7292.972374		28701.62027		14882.52573	13329.08747	39886.71161	414.3954362	64280.47611	20036.85927		
Cer(d18:1/22:0)	861.478764	6778.500849				1585.78617								1270.786965	1570.764806	724.8421284		8131.180002	1890.740318	
SM(d18:2/18:1)		43168.36287	19257.7029			4720.963873										1718.191045			2825.262761	
SM(d18:0/12:0)		34259.8738	3173.206914	2099.427961	2487.55428					141580.4923	10939.92021		7073.405758	16936.64747		8562.447129		193745.9172		11050.26972
SM(d18:2/22:1)		33359.76674	31557.30696								36257.82003									4263.421522
SM(d18:1/19:0)		10991.95814														1576.96283				86119.69014
SM(d16:1/24:1)		9374.531895				3113.042928			10322.20443	2136.08222				18433.99805		6530.918916		8563.382691		
SM(d18:1/14:0)		7285.774605					2231.609959	1571.279659			7819.700982									1179.103377
SM(d18:0/22:0)		6499.251402		3678.12438				7127.808279		15659.04876		759.1186423		8557.040029						
SM(d16:1/22:1)		3611.079656		10275.87225											2589.850608		2521.829922	4021.680974		
SM(d18:1/26:1(17Z))		1309.350416								29287.07082								19668.22355		
SM(d18:0/17:0)		791.6622115													1619.567272					
Calicogorgin A		158377.2718																		
"(4E,8E,9Me-d19:2)sphingosine"		136131.3649	3946.517899	88320.68749	224870.1084	72656.31956	77414.84469	7250.622459	71286.78483	148850.7364	19104.82924	31249.30007			140483.4764	163836.4073	196494.7642		69533.82489	135062.3292
Prosafrinine		93485.53065		1333.701016	8885.469105		63411.80751	29629.93921			737.2252529	1717.023689				11355.15796			414570.3246	20218.95691
Sphingofungin A		63803.10498		62980.18206	65625.71918	52253.61826				13045.97506		10842.16705				6015.993606		35314.70533	23470.81419	130768.3536
C16 Sphingosine		58386.47745		34799.25571	61510.3874					32645.49745		60911.96459							13391.59622	3226.045219
Sphingofungin E		42339.12605		73025.28082						17447.94655		17768.73837					3343.917324	15358.55082	38414.68061	
Phytosphingosine 1-phosphate		39683.66378		40980.26704	2255.013774	7467.839403	45596.43893	830.5144263	13412.57763	1370.134367	78646.24316	9536.750861	4264.184112		1172.852042	7436.815588			1177.645358	18749.43581
"(4E,8E,10E-d18:3)sphingosine"		34552.52443		9554.173093	40267.40778		427097.2656		12075.78128	31116.28254	75922.28658	9745.582015			39446.8083		1887.45823		25264.53927	18218.94867
C16 Sphinganine		17271.05056	8163.434404		5714.235886		3002.434628			100878.809		43481.06963						1509.371138		39023.94411
Myriocin		2414.132443	66982.5859	6372.41047	23944.45668		114610.1581	133861.1308	37135.18365	2678.282022	38902.88099	47173.3463				6086.896351	24804.79907	4241.39338		7848.405393
Cer(d18:0/16:0)		542704.3081		182349.3028	156862.3836	118259.5109	161107.632	182505.5343	345517.2127		244587.5034		52209.43894	516963.8574	279580.7857	486455.3616	230650.525	560874.1843	58355.74184	174897.0222
Cer(d18:0/14:0)		404984.2725	4873.340375	63078.35846	54575.88245	15527.1338	174312.4672	132697.9682	310882.7765		8971.171713		171587.4181	51301.57651		52344.03205	48600.96125	171328.6761	35009.02966	32006.94293
Cer(d18:1/16:0)		121242.7154	29463.90248	69920.86114	9048.33649	29368.12234	67149.65084	185142.5517	580602.6786		52336.83491		498351.5194	352237.6378	157581.7212	695760.8672	199775.3427	78062.03249	197650.8273	386814.7608
Cer(d18:1/14:0)		25652.73296		46010.86758		24590.47211	6417.040495	5390.204559	75816.93251				3066.253953	9338.652804	59180.68063	8173.647083	26299.83875	1357.089659	526.8886366	49072.79297
Cer(d18:0/h17:0)		23097.16331		4397.729031	4125.405407	1404.494066		71898.33427	23204.11817		7690.633868		96950.83966	31563.20794	21623.30024	17933.3173	70637.14519	41953.58019	93898.56308	27407.87947
Cer(t18:0/22:0(2OH))		21599.5934			5682.239568				9744.773746		797.3760281			3433.500562			14520.56733	12649.43037	6991.600421	7860.141953
Cer(d18:0/16:0(2OH))		19900.07361			60034.44868	33226.60675	10835.22164	71451.59035	9027.981128		23010.62378		17434.91974	34133.01751	56152.09113	62395.32575	16519.75675		57253.87561	10763.11026
1-O-carboceroyl-Cer(d18:1/18:0)		19801.74498		9504.116015					5480.013654		15558.29668		4375.852424	11131.12938				5237.192274	2737.084659	5910.084239
CerP(d18:1/24:1(15Z))		18448.95603						1743.963808						4405.412398	14065.79613		1436.52867	12412.98036	10235.72411	
"Cer(d15:2(4E,6E)/20:0)"		16247.93095		40383.52643	5032.760878	24141.23924	6663.497812	712.6242274	46475.36669				259150.1581		28170.40186		17855.90064	2045.800201	3156.100441	14109.31215
Cer(d18:0/h26:0)		14408.51147	1855.655889		5345.845259		2177.070793	9794.611104			2166.710022						4335.785086	139407.1267	63692.34952	73681.09963
Cer(d16:1/17:0)		13348.57751			2810.859819	2701.672279	2507.156842						11149.73108	5872.840414	7501.90078	11317.06732	21214.65232	10921.95443	2195.383945	5018.207213
Cer(d18:2/18:1)		9520.548498		6449.539961	3067.37936	22865.44952			16894.14452		17469.5536		46588.47198	145898.8556	13106.16769	3662.599864	116043.6633	130402.661		33808.00642
CerP(d18:1/12:0)		7958.915726		7072.394297			1262.494985	8069.419968												
Cer(d18:2/22:0)		5947.641295		3417.064803		13584.62191		440.9485633						2504.712137		29799.23876		2164.527353		11890.97356
Cer(d18:0/22:0(2OH))		5393.926864		708.0366312		10842.94652	12397.33324	6232.371551	19349.50573		49132.13443		13856.95275			4575.371988	3516.327016	19821.96598	10352.42596	42258.15338
Cer(t18:0/18:0(2OH))		4454.291637			1128.450628	11277.13827		9736.431909			14866.17563		10406.81746		13157.06087	61941.928		6166.153311		2078.034722
Cer(d16:1/23:0)		4287.418853		453.7604022	12474.29484	24071.54225	4327.5893		17750.39364				14956.76509	11271.26843	31100.91507		2862.638395			
"Cer(d14:2(4E,6E)/16:0)"		3885.042872	989.8457054		12452.67281	1708.896486		5450.600324	3279.36887				4254.887827	94546.9271	17110.61845	1083.072649	29358.19683	1515.507738	5782.0327	18641.45985
"Cer(d14:2(4E,6E)/20:1(11Z)(2OH))"		3125.073137											52549.14332							
Cer(d18:1/2:0)		2418.014419		8810.041255	526.3113543				1122.798039		525.2331821			613.0890901						
Cer(d18:0/13:0)		1367.004609		83861.74354	24373.59736	2294.033294		1063.804366	79195.62848		8798.079269		20871.21343	5910.092294	344.8092899	1773.733887	33683.54805	565.3482147	5327.570331	51744.99198
Cer(d18:0/18:0)		978.7970259		6842.616024	6269.787185	756.8935179	10272.46642	3543.702483	11785.0029		4383.272453		17497.7645		4332.645992	14586.3049				99507.70196
1-O-stearoyl-Cer(d18:1/16:0)		467.2407655							1615.674391				1438.179595		3188.631351			5378.585368	3701.479184	
SM(d18:1/24:1(15Z))			111348.0682					2449.797217			2878.911791			18400.83961						
SM(d18:2/15:0)			35943.06314										5149.963385							
SM(d18:2/14:0)			10743.40015							16117.03106			4683.972244							
SM(d18:2/20:1)			9834.138956				5499.882876										3748.760273		31320.09725	
SM(d18:1/24:0)			7402.765211	2066.167494					683.1103131					12697.2473						
SM(d18:1/12:0)			2316.62221						5298.974271	12702.80443				757.3979133		6318.334162			21192.58702	
SM(d18:0/13:0)			1513.993592							4048.610515										
Calyxinin			27816.26154		40320.79256		23922.5429	29322.64277		9813.061132		30439.65232			128300.3792	16291.12873	41800.08122	47764.93071	92782.67618	35411.69673
"(9Me,4E,8E,10E-d19:3)sphingosine"			8792.770242	82099.56981		22455.5432		7716.384493		61861.02018	3206.378258				16254.50975		38642.04709			2839.009798
Clavepictine B			4859.073563	34309.00168	42822.6492	3213.645261	36022.57651		15146.98843			10850.46429			2206.648114				22595.24151	25197.94126
Cer(d18:0/18:0(2OH))			6320.121523	8744.863776	71165.99286	33605.43933	11624.52207	8221.72004	20644.38865		41385.16699		33556.73589	11876.36111	854.5695473	78607.89764	57238.44847		15367.99679	38119.33298
"Cer(d14:2(4E,6E)/20:1(11Z))"			3237.349869	16483.23695			2333.723358	1025.495316			475.3803246			15035.55143		89934.29382		8903.525959	1545.333922	37163.34954
1-O-carboceroyl-Cer(d18:1/16:0)			3083.062465	6256.19014	2790.18888	5742.393358	15477.10867	2122.340755	55567.5429				11510.72331		11052.81757	1473.766279	2362.608939	4824.988134	36071.6446	14394.95258
Cer(d14:1(4E)/20:1(11Z)(2OH))			1391.754099																	
SM(d18:0/20:0)				11334.99572		2024.331362													2092.529411	
SM(d18:1/18:0)				4289.190463						6524.592661	3792.05367				10892.80654		8035.172424	3194.713782	17951.34828	
SM(d18:0/24:0)				4188.582733											5137.853467				1761.914922	7044.200534
SM(d18:1/16:0)				3376.653622							16704.06121									3821.968839
SM(d18:0/15:0)				3076.306244						5606.276484										
SM(d18:2/21:0)				1185.536612																
S-Antazirine				52410.0899	50627.72953	18159.8337		10309.86621	27027.30822	13431.02022						11595.64638				9514.004596
Pramanicin				37405.16818		1284.209417						14643.0912								9680.317393
C17 Sphinganine				19682.33963	34166.71178	24919.97696		3523.646707	54998.11176	117742.476		264502.714				22135.57322	16731.94147		13677.08938	
Fumonisin A1				9617.398572					13918.4959	159617.9159						3796.333088				30110.4006
3-ketosphingosine				3427.949201	6872.103248	2869.201296	12812.95155					5531.130067			123717.0156	9980.486648	62405.70735	4523.049334	251165.3704	863368.8132
C18:1 Ceramide (d18:1/18:1(9Z))				62752.55879										27207.26427						
CerP(d18:1/26:1(17Z))				47575.78089			4570.6833	1641.493243							5628.383357		18687.19684			
Cer(d14:1(4E)/24:0(2OH))				11467.21298			1086.381691		3003.887033		39770.38907		7297.768161			3904.436212	22933.58186	1558.467066		
Cer(d18:2/20:0)				11009.8498	5079.958541		21086.4656	40795.89259	6171.178671		935.7137235		277643.3057	48899.23144	167590.3346	441868.9206	412478.9159	76693.14003	207587.6168	64156.73422
"Cer(d16:2(4E,6E)/24:0(2OH))"				8079.02901									1057.852606							
Cer(d18:2/21:0)				6745.585455	10878.57389	28821.22837			591.2898647		3216.158063		1324.865021	2007.704693			4573.822505	8971.10803	13323.81083	30963.95893
CerP(d18:1/22:0)				6364.028761	6019.260269		10402.66149		7428.565828		9922.866011				5537.449871			2661.969124	18228.32018	
SM(d17:1/24:1)					1759.336066													4486.721676		
Sphingosine (d18:1)					119961.0688		11187.79136	7498.213833											69687.89273	
Phytosphingosine					29546.40025				682.8316766	11702.47458					9847.058408	22179.31124			3088.437093	17430.19814
CerP(d18:1/18:0)					7653.882402	6444.486567		4044.351394	2762.783657				1568.482318	5014.680675	3143.323966	2011.077546	36045.56549			
Cer(d14:1(4E)/26:0(2OH))					3278.211201			8605.318504			2651.619134		20956.62899	1164.561351		307471.732	14010.67223	49980.83133		23922.68937
Cer(d18:1/26:1(17Z))					3230.883513				25655.75795					970.3958204	6072.103242					
"Cer(d14:2(4E,6E)/22:1(13Z)(2OH))"					2950.628205															
1-O-behenoyl-Cer(d18:1/16:0)					1464.396042				2341.997974				1789.414234					3938.723171	4338.916748	1785.543908
CerP(d18:1/8:0)					1192.849519									5081.730718						4606.377424
SM(d18:1/26:0)						8210.538887									6125.128774	3081.216914				
SM(d18:1/18:1(9Z))						3873.868776	4377.06004						3625.728995							
SM(d16:1/23:0)						2039.259904	3843.605608													
1-O-tricosanoyl-Cer(d18:1/18:0)						32842.19801			11828.95023					5938.838907						
1-O-lignoceroyl-Cer(d18:1/16:0)						16049.06019							5382.000676				4669.373444			4577.974378
1-O-myristoyl-Cer(d18:1/16:0)						6881.735279	3213.55339		2811.790298		1164.229942		1511.386198		23027.08853	118472.9699	18833.40171	4432.156571		419.9941161
SM(d16:1/17:0)							4336.935184													
1-O-cerotoyl-Cer(d18:1/18:0)							7054.519052		28280.10225											
1-O-tricosanoyl-Cer(d18:1/16:0)							5164.024212							1932.677107			1676.517956	7337.0095	17184.25094	1305.244665
"Cer(d15:2(4E,6E)/20:0(2OH))"							1705.932032													
1-O-palmitoyl-Cer(d18:1/16:0)								18721.33346	3613.929999											
CerP(d18:0/16:0)								1052.10868											444.2898764	
Cer(d18:1/25:0)								408.7517635	35636.23988		17170.60825		30042.61416	4651.876426	3802.198426	4680.183957			10599.21578	
SM(d18:1/25:0)									3724.528476				33402.87722				419.2806236			
Prosopinine									17421.09809											
Cer(d18:2/23:0)									2598.967939				3564.398341	1563.757699	5194.164869		4319.182198	2212.857441		15458.2355
SM(d16:1/18:1)										52854.76166			1927.480191				8228.465691			4421.636207
SM(d18:0/16:0)										2719.926565				3013.713108						
SM(d18:2/24:1)										2628.409283	33810.19807		4693.900165			1993.258539	10737.40116			
SM(d18:0/18:0)										1160.365537	9217.2735								7435.540663	600.1111893
Obscuraminol A										2681.301307	1111.12167					2143.961617		2229.114369	47940.28201	
SM(d18:1/22:0)											3975.362741	6036.547101	2059.154096	14302.0887			4397.76314	132334.4943		
SM(d16:1/25:0)														2230.293777		640.3421386				
SM(d18:0/14:0)														1708.677858						
Cer(d18:0/17:0)															6926.570482					
CerP(d18:1/14:0)																13534.64541				
SM(d18:1/20:0)																				1889.245058
Cer(d14:1(4E)/22:1(13Z)(2OH))																				44870.94174
"Cer(d14:2(4E,6E)/24:0(2OH))"																				619.0972161
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	M/Z
"(4E,6E,d14:2) sphingosine"	242.2142
"(4E,8E,10E-d18:3)sphingosine"	296.2611
"(4E,8E,9Me-d19:2)sphingosine"	312.2924
"(9Me,4E,8E,10E-d19:3)sphingosine"	310.2768
1-O-behenoyl-Cer(d18:1/16:0)	858.8257
1-O-carboceroyl-Cer(d18:1/16:0)	900.8726
1-O-carboceroyl-Cer(d18:1/18:0)	970.9509
1-O-cerotoyl-Cer(d18:1/16:0)	914.8883
1-O-cerotoyl-Cer(d18:1/18:0)	942.9196
1-O-eicosanoyl-Cer(d18:1/16:0)	830.7944
1-O-lignoceroyl-Cer(d18:1/16:0)	886.857
1-O-myristoyl-Cer(d18:1/16:0)	746.7005
1-O-palmitoyl-Cer(d18:1/16:0)	774.7318
1-O-stearoyl-Cer(d18:1/16:0)	802.7631
1-O-tricosanoyl-Cer(d18:1/16:0)	872.8413
1-O-tricosanoyl-Cer(d18:1/18:0)	998.9822
3-ketosphingosine	298.2768
Aplidiasphingosine	370.3343
C14 sphingosine	244.2298
C16 Sphinganine	274.2768
C16 Sphinganine-1-phosphate	352.2231
C16 Sphingosine	272.2611
C16 Sphingosine-1-phosphate	350.2075
C17 Sphinganine	288.2924
C17 Sphinganine-1-phosphate	366.2388
C17 Sphingosine	286.2768
C17 Sphingosine-1-phosphate	364.2231
C17 sphingosine-1-phosphocholine	451.3323
C18:1 Ceramide (d18:1/18:1(9Z))	562.418
C19 Sphingosine-1-phosphate	392.2544
Calicogorgin A	380.3186
Calyxinin	487.4497
Cer(d14:1(4E)/20:0(2OH))	552.497
Cer(d14:1(4E)/20:1(11Z)(2OH))	550.4814
Cer(d14:1(4E)/22:0(2OH))	580.5283
Cer(d14:1(4E)/22:1(13Z)(2OH))	578.5127
Cer(d14:1(4E)/24:0(2OH))	608.5596
Cer(d14:1(4E)/26:0(2OH))	636.5909
"Cer(d14:2(4E,6E)/16:0)"	478.4238
"Cer(d14:2(4E,6E)/18:1(9Z))"	504.4395
"Cer(d14:2(4E,6E)/20:1(11Z)(2OH))"	548.4657
"Cer(d14:2(4E,6E)/20:1(11Z))"	532.4708
"Cer(d14:2(4E,6E)/22:1(13Z)(2OH))"	576.497
"Cer(d14:2(4E,6E)/24:0(2OH))"	606.544
"Cer(d15:2(4E,6E)/20:0(2OH))"	564.497
"Cer(d15:2(4E,6E)/20:0)"	548.5021
"Cer(d15:2(4E,6E)/22:0)"	576.5334
Cer(d16:1/17:0)	522.4864
Cer(d16:1/23:0)	606.5803
"Cer(d16:2(4E,6E)/24:0(2OH))"	634.5753
Cer(d18:0/13:0)	496.4708
Cer(d18:0/14:0)	510.4864
Cer(d18:0/15:0)	524.5021
Cer(d18:0/16:0(2OH))	554.5127
Cer(d18:0/16:0)	538.5177
Cer(d18:0/17:0)	552.5334
Cer(d18:0/18:0(2OH))	582.544
Cer(d18:0/18:0)	566.549
Cer(d18:0/20:0(2OH))	610.5753
Cer(d18:0/20:0)	594.5803
Cer(d18:0/22:0(2OH))	638.6066
Cer(d18:0/22:0)	622.6116
Cer(d18:0/24:0)	650.6429
Cer(d18:0/26:0)	678.6742
Cer(d18:0/h17:0)	568.5283
Cer(d18:0/h24:0)	666.6379
Cer(d18:0/h26:0)	694.6692
Cer(d18:1/12:0)	480.4395
Cer(d18:1/14:0)	508.4708
Cer(d18:1/16:0)	536.5021
Cer(d18:1/17:0)	550.5177
Cer(d18:1/18:0)	564.5334
Cer(d18:1/18:1(9Z))	562.5177
Cer(d18:1/19:0)	578.549
Cer(d18:1/2:0)	340.283
Cer(d18:1/20:0)	592.5647
Cer(d18:1/22:0)	620.596
Cer(d18:1/23:0)	634.6116
Cer(d18:1/24:0)	648.6273
Cer(d18:1/24:1(15Z))	646.6116
Cer(d18:1/25:0)	662.6429
Cer(d18:1/26:0)	676.6586
Cer(d18:1/26:1(17Z))	674.6429
Cer(d18:2/14:0)	506.4551
Cer(d18:2/15:0)	520.4708
Cer(d18:2/16:0)	534.4864
Cer(d18:2/18:1)	560.5021
Cer(d18:2/20:0)	590.549
Cer(d18:2/20:1)	588.5334
Cer(d18:2/21:0)	604.5647
Cer(d18:2/22:0)	618.5803
Cer(d18:2/23:0)	632.596
Cer(d20:0/26:0(2OH))	722.7005
Cer(d20:0/26:0)	706.7055
Cer(t18:0/16:0(2OH))	570.5076
Cer(t18:0/18:0(2OH))	598.5389
Cer(t18:0/20:0(2OH))	626.5702
Cer(t18:0/22:0(2OH))	654.6015
Cer(t18:0/24:0(2OH))	682.6328
Cer(t18:0/26:0(2OH))	710.6641
Cer(t20:0/26:0(2OH))	738.6954
CerP(d18:0/16:0)	618.4841
CerP(d18:1/12:0)	560.4058
CerP(d18:1/14:0)	588.4371
CerP(d18:1/16:0)	616.4684
CerP(d18:1/18:0)	644.4997
CerP(d18:1/2:0)	420.2493
CerP(d18:1/20:0)	672.531
CerP(d18:1/22:0)	700.5623
CerP(d18:1/24:0)	728.5936
CerP(d18:1/24:1(15Z))	726.578
CerP(d18:1/26:0)	756.6249
CerP(d18:1/26:1(17Z))	754.6093
CerP(d18:1/8:0)	504.3432
Clavepictine B	306.2819
Dehydrophytosphingosine	316.2873
Fumonisin A1	764.409
Fumonisin B1	722.3985
Fumonisin B2	706.4036
Fumonisin B4	690.4086
Fumonisin C1	708.3828
Fumonisin C2	692.3879
Fumonisin C4	676.393
Halaminol A	228.2349
Hemsleyin imine A	606.5847
Leucettamol A	473.4129
Micropine	266.2142
Myriocin	402.2877
"N,N,N-trimethyl-sphingosine"	343.3472
"N,N-dimethylsphingosine"	328.3237
Obscuraminol A	278.2506
Oceanalin A	737.5338
Penaresidin A	330.303
Penazetidine A	370.3707
Phytosphingosine	318.303
Phytosphingosine 1-phosphate	396.2493
Plakoside A	948.7889
Pramanicin	370.2251
Prosafrinine	284.2611
Prosopinine	288.256
R-Dysidazirine	308.2611
Rhizochalinin D	647.5232
S-Antazirine	434.0352
Scyphostatin A	512.3398
SM(d16:1/17:0)	689.5619
SM(d16:1/18:1)	701.5619
SM(d16:1/22:1)	757.6245
SM(d16:1/23:0)	773.6558
SM(d16:1/24:1)	785.6558
SM(d16:1/25:0)	801.6871
SM(d17:1/24:1)	799.6715
SM(d17:1/26:1)	827.7028
SM(d18:0/12:0)	649.5306
SM(d18:0/13:0)	663.5463
SM(d18:0/14:0)	677.5619
SM(d18:0/15:0)	691.5776
SM(d18:0/16:0)	705.5932
SM(d18:0/17:0)	719.6089
SM(d18:0/18:0)	733.6245
SM(d18:0/20:0)	761.6558
SM(d18:0/22:0)	789.6871
SM(d18:0/24:0)	817.7184
SM(d18:0/26:0)	845.7497
SM(d18:1/12:0)	647.515
SM(d18:1/14:0)	675.5463
SM(d18:1/16:0)	703.5776
SM(d18:1/17:0)	717.5932
SM(d18:1/18:0)	731.6089
SM(d18:1/18:1(9Z))	729.5932
SM(d18:1/19:0)	745.6245
SM(d18:1/20:0)	759.6402
SM(d18:1/22:0)	787.6715
SM(d18:1/24:0)	815.7028
SM(d18:1/24:1(15Z))	813.6871
SM(d18:1/25:0)	829.7184
SM(d18:1/26:0)	843.7341
SM(d18:1/26:1(17Z))	841.7184
SM(d18:2/14:0)	673.5306
SM(d18:2/15:0)	687.5463
SM(d18:2/18:1)	727.5776
SM(d18:2/20:1)	755.6089
SM(d18:2/21:0)	771.6402
SM(d18:2/22:1)	783.6402
SM(d18:2/24:1)	811.6715
Sphinganine	302.3081
Sphinganine-1-phosphocholine	467.3636
Sphinganine-phosphate	380.2544
Sphingofungin A	432.3095
Sphingofungin B	390.2877
Sphingofungin E	418.2827
Sphingosine	300.2924
Sphingosine (d18:1)	300.392
Sphingosine-1-phosphate	378.2388
Sphingosine-1-phosphocholine	465.3479
Sulfamisterin	462.2159
Termitomycesphin A	744.5648
Xestoaminol C	230.2506
METABOLITES_END
#END