#METABOLOMICS WORKBENCH jravilap_20190117_120535_mwtab.txt DATATRACK_ID:1606 STUDY_ID:ST001127 ANALYSIS_ID:AN001852 PROJECT_ID:PR000754
VERSION             	1
CREATED_ON             	February 4, 2019, 12:30 pm
#PROJECT
PR:PROJECT_TITLE                 	Bacteroides-derived sphingolipids are critical for maintaining intestinal
PR:PROJECT_TITLE                 	homeostasis and symbiosis
PR:PROJECT_SUMMARY               	Sphingolipids are structural membrane components and important eukaryotic
PR:PROJECT_SUMMARY               	signaling molecules. We hypothesized that sphingolipids mediate intestinal
PR:PROJECT_SUMMARY               	health as they were identified as the most upregulated metabolite feature in
PR:PROJECT_SUMMARY               	stool of inflammatory bowel disease (IBD) patients. Commensal Bacteroidetes also
PR:PROJECT_SUMMARY               	produce sphingolipids, but the impact of these metabolites on host pathways is
PR:PROJECT_SUMMARY               	largely uncharacterized. To study Bacteroidetes sphingolipids in intestinal
PR:PROJECT_SUMMARY               	health, we colonized germ-free mice with a sphingolipid-deficient Bacteroides
PR:PROJECT_SUMMARY               	thetaiotaomicron strain. A lack of Bacteroides-derived sphingolipids increased
PR:PROJECT_SUMMARY               	intestinal inflammation, dysregulated innate immunity and altered the host
PR:PROJECT_SUMMARY               	ceramide pool. Using metabolomic analysis, we described the Bacteroides
PR:PROJECT_SUMMARY               	sphingolipid biosynthesis pathway and revealed a greater variety of
PR:PROJECT_SUMMARY               	Bacteroides-derived sphingolipids than previously recognized, including ceramide
PR:PROJECT_SUMMARY               	phosphoinositol and deoxy-sphingolipids. We annotated Bacteroides sphingolipids
PR:PROJECT_SUMMARY               	in an IBD metabolomic dataset, discovering lower abundances in IBD and negative
PR:PROJECT_SUMMARY               	correlations with gut inflammation and host sphingolipid production. These data
PR:PROJECT_SUMMARY               	highlight the role of sphingolipids in maintaining host-bacterial symbiosis and
PR:PROJECT_SUMMARY               	intestinal homeostasis.
PR:INSTITUTE                     	Broad Institute of MIT and Harvard
PR:LAST_NAME                     	Avila-Pacheco
PR:FIRST_NAME                    	Julian
PR:ADDRESS                       	415 Main Street, Cambridge MA
PR:EMAIL                         	jravilap@broadinstitute.org
PR:PHONE                         	617-714-8264
PR:FUNDING_SOURCE                	National Institutes of Health (P30 DK043351 and R01 AT009708)
PR:CONTRIBUTORS                  	Eric M. Brown, Xiaobo Ke, Daniel Hitchcock, Timothy D. Arthur, Toru Nakata,
PR:CONTRIBUTORS                  	Nadine Fornelos, Cortney Heim, Eric A. Franzosa1,4, Curtis Huttenhower1,4, Henry
PR:CONTRIBUTORS                  	J. Haiser3, Glen 6 Dillow3, Daniel B. Graham1, B. Brett Finlay, Aleksandar D.
PR:CONTRIBUTORS                  	Kostic, Jeffrey A. Porter, Hera Vlamakis, Sarah Jeanfavre, Julian Avila-Pacheco,
PR:CONTRIBUTORS                  	Clary B. Clish, and Ramnik J. Xavier
#STUDY
ST:STUDY_TITLE                   	Lipid profiling of caecal samples from GF mice colonized with B.
ST:STUDY_TITLE                   	thetaiotaomicron WT or the ΔSPT mutants (part III)
ST:STUDY_SUMMARY                 	To study Bacteroidetes sphingolipids in intestinal health, we colonized
ST:STUDY_SUMMARY                 	germ-free mice with wild type or a sphingolipid-deficient Bacteroides
ST:STUDY_SUMMARY                 	thetaiotaomicron strain. A lack of Bacteroides derived sphingolipids increased
ST:STUDY_SUMMARY                 	intestinal inflammation, dysregulated innate immunity and altered the host
ST:STUDY_SUMMARY                 	ceramide pool.
ST:INSTITUTE                     	Broad Institute of MIT and Harvard
ST:LAST_NAME                     	Avila-Pacheco
ST:FIRST_NAME                    	Julian
ST:ADDRESS                       	415 Main Street
ST:EMAIL                         	jravilap@broadinstitute.org
ST:PHONE                         	617-714-8264
ST:NUM_GROUPS                    	3
ST:TOTAL_SUBJECTS                	14
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL/6 germ-free mice
SU:ANIMAL_ANIMAL_SUPPLIER        	Taconic
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	BTWT Cecal_1	Inoculum:Bacteroides thetaiotaomicron | Strain:WT (VPI-5482)	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S01.raw
SUBJECT_SAMPLE_FACTORS           	-	BTWT Cecal_2	Inoculum:Bacteroides thetaiotaomicron | Strain:WT (VPI-5482)	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S02.raw
SUBJECT_SAMPLE_FACTORS           	-	BTWT Cecal_3	Inoculum:Bacteroides thetaiotaomicron | Strain:WT (VPI-5482)	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S03.raw
SUBJECT_SAMPLE_FACTORS           	-	BTWT Cecal_4	Inoculum:Bacteroides thetaiotaomicron | Strain:WT (VPI-5482)	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S04.raw
SUBJECT_SAMPLE_FACTORS           	-	BTWT Cecal_5	Inoculum:Bacteroides thetaiotaomicron | Strain:WT (VPI-5482)	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S05.raw
SUBJECT_SAMPLE_FACTORS           	-	BTWT Cecal_6	Inoculum:Bacteroides thetaiotaomicron | Strain:WT (VPI-5482)	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S06.raw
SUBJECT_SAMPLE_FACTORS           	-	BTSPR Cecal_1	Inoculum:Bacteroides thetaiotaomicron | Strain:SPT K.O. (BT_0870)	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S07.raw
SUBJECT_SAMPLE_FACTORS           	-	BTSPR Cecal_2	Inoculum:Bacteroides thetaiotaomicron | Strain:SPT K.O. (BT_0870)	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S08.raw
SUBJECT_SAMPLE_FACTORS           	-	BTSPR Cecal_3	Inoculum:Bacteroides thetaiotaomicron | Strain:SPT K.O. (BT_0870)	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S09.raw
SUBJECT_SAMPLE_FACTORS           	-	BTSPR Cecal_4	Inoculum:Bacteroides thetaiotaomicron | Strain:SPT K.O. (BT_0870)	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S10.raw
SUBJECT_SAMPLE_FACTORS           	-	BTSPR Cecal_5	Inoculum:Bacteroides thetaiotaomicron | Strain:SPT K.O. (BT_0870)	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S11.raw
SUBJECT_SAMPLE_FACTORS           	-	BTSPR Cecal_6	Inoculum:Bacteroides thetaiotaomicron | Strain:SPT K.O. (BT_0870)	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S12.raw
SUBJECT_SAMPLE_FACTORS           	-	GF Cecal_1	Inoculum:None | Strain:None	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S13.raw
SUBJECT_SAMPLE_FACTORS           	-	GF Cecal_2	Inoculum:None | Strain:None	Sample Type=Mouse Cecal Extract; Raw File Name:=Brown_S14.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Caecal samples from GF mice colonized with B. thetaiotaomicron WT or the ΔSPT
CO:COLLECTION_SUMMARY            	mutant were weighed, and 20 mg of each wet-weight sample was used for lipid
CO:COLLECTION_SUMMARY            	profiling.
CO:SAMPLE_TYPE                   	Cecum
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	In an anaerobic chamber, bacterial cultures from frozen stocks were first plated
TR:TREATMENT_SUMMARY             	on BHI supplemented with hemin and vitamin K, and subsequently pure cultures
TR:TREATMENT_SUMMARY             	were selected and mixed together at a 1:1 ratio in sterile, reduced PBS.
TR:TREATMENT_SUMMARY             	Bacterial mixtures in PBS were removed from the anaerobic chamber and
TR:TREATMENT_SUMMARY             	immediately transported to the animal facility for gavage experiments. The
TR:TREATMENT_SUMMARY             	volume of the mixture received per mouse was 100 μL, at a concentration of 10^9
TR:TREATMENT_SUMMARY             	cells/mL. The concentration of the mixture in cell/mL was determined using a UV
TR:TREATMENT_SUMMARY             	spectrometer, and gavage doses were confirmed by back-titering the inocula.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	20 mg of each wet-weight cecal sample was extracted using 200 μL isopropanol +
SP:SAMPLEPREP_SUMMARY            	0.1 ng/μL C24:0 PC as internal standard, incubated at RT for 1 hr, and
SP:SAMPLEPREP_SUMMARY            	centrifuged for 10 min at 10,000g.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu Nexera X2
CH:COLUMN_NAME                   	Waters Acquity BEH C8 (100 x 2.1mm, 1.7um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Metabolomics Platform
AN:OPERATOR_NAME                 	Daniel Hitchcock
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Focus
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Raw data were processed using TraceFinder 3.1 (Thermo Fisher) and Progenesis QI
MS:MS_COMMENTS                   	(Nonlinear dynamics). Retention time, m/z, MS/MS fragmentation were used to
MS:MS_COMMENTS                   	confirm the identity of metabolite using authentic reference standards when
MS:MS_COMMENTS                   	available (level 1 identifications), in addition to monitoring the product ions
MS:MS_COMMENTS                   	produced and the retention time and mass of species belonging to the each lipid
MS:MS_COMMENTS                   	class (level 2-3 annotation).
MS:MS_RESULTS_FILE               	ST001127_AN001852_Results.txt	UNITS:abundance	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Abundances
MS_METABOLITE_DATA_START
Samples	BTWT Cecal_1	BTWT Cecal_2	BTWT Cecal_3	BTWT Cecal_4	BTWT Cecal_5	BTWT Cecal_6	BTSPR Cecal_1	BTSPR Cecal_2	BTSPR Cecal_3	BTSPR Cecal_4	BTSPR Cecal_5	BTSPR Cecal_6	GF Cecal_1	GF Cecal_2
Factors	Inoculum:Bacteroides thetaiotaomicron | Strain:WT (VPI-5482)	Inoculum:Bacteroides thetaiotaomicron | Strain:WT (VPI-5482)	Inoculum:Bacteroides thetaiotaomicron | Strain:WT (VPI-5482)	Inoculum:Bacteroides thetaiotaomicron | Strain:WT (VPI-5482)	Inoculum:Bacteroides thetaiotaomicron | Strain:WT (VPI-5482)	Inoculum:Bacteroides thetaiotaomicron | Strain:WT (VPI-5482)	Inoculum:Bacteroides thetaiotaomicron | Strain:SPT K.O. (BT_0870)	Inoculum:Bacteroides thetaiotaomicron | Strain:SPT K.O. (BT_0870)	Inoculum:Bacteroides thetaiotaomicron | Strain:SPT K.O. (BT_0870)	Inoculum:Bacteroides thetaiotaomicron | Strain:SPT K.O. (BT_0870)	Inoculum:Bacteroides thetaiotaomicron | Strain:SPT K.O. (BT_0870)	Inoculum:Bacteroides thetaiotaomicron | Strain:SPT K.O. (BT_0870)	Inoculum:None | Strain:None	Inoculum:None | Strain:None
1-deoxysphinganine iso-C16	33592	73274	35326	38396	49338	86297	268	951	297	592	576	430	582	821
1-deoxysphinganine iso-C17	176114	328500	138080	140843	183982	298411	12927	23902	13447	19607	12879	16455	11081	9630
1-deoxysphinganine iso-C18	56855	87235	36647	37484	69146	128806	33	635			26	32		25
3-ketosphinganine iso-C16	6927	15021	9403	8830	21962	24531		235	66	35	39	81	124	44
3-ketosphinganine iso-C17	236590	340503	107876	120472	152882	275108	45191	99317	45234	87150	56380	75246	84399	83745
3-ketosphinganine iso-C18	3528	5778	2228	2178	4352	10815	243	1721	891	1630	847	1375	732	814
CerPE C32	55632	139936	63869	52881	70181	103176	2600	7547	2347	3555	2723	3873	410	328
CerPE C33	743875	1386724	785024	836466	984321	1003067	26980	43906	19001	26883	16882	24422	6301	6520
CerPE C34	3862591	6830964	3858029	3692484	4320237	3998013	60420	115375	29285	21032	16214	14349	15163	13098
CerPE C35	5378272	10843472	5180907	5287925	5885417	6002600	93945	240413	46520	72056	52880	58651	21514	19243
CerPI C34	3012579	3694098	3035391	2680856	2595707	3216252	38622	41811	6519	6037	5023	5588	5870	9927
CerPI C35	4882946	6759639	4338274	3491555	3490762	4333611	187620	243057	92945	113464	106008	115675	42905	43378
CerPI C36	1812528	2592778	1379598	1163360	1440670	1823557	19294	28746	2958	6027	2668	3126	3501	2433
deoxyketosphingosine iso-C17	59261	164965	53795	63279	70821	90719	1388	3563	1629	2678	1659	2307	2289	2081
DHCer C32	64808	187675	63834	51554	60048	170376		268		9				85
DHCer C33	662888	1896326	628566	525142	659152	1358582	115451	205832	68096	115187	83623	105908	19630	16352
DHCer C34	8685514	19504113	7516776	6056461	6367353	11620100	233162	806624	349130	586160	371294	401669	174159	177204
DHCer C35	3048536	9532339	2755820	2292837	2484028	4669782	8397	79929	3995	14050	8414	7866		79
DHCer C36	1054148	2836077	785638	576948	850504	1753048		5074		93				
DHCer C37	6516	16990	4352	2046	4662	18916				209	140			
sphinganine iso-C14	15757	27725	17091	16380	22373	37394								
sphinganine iso-C15	18876	30066	19983	25797	30775	46968	41	92	55				154	134
sphinganine iso-C16	756713	1464118	701667	779130	1110640	1750389	1024	14193	395	1090	392	953	563	673
sphinganine iso-C17	1654176	4441466	1488597	1770732	2021246	2530189	27311	86551	28539	54253	34867	46314	52155	46429
sphinganine iso-C18	367742	712586	235877	197909	326034	667162	641	4314	676	1452	821	1130	499	467
sphinganine iso-C19	153117	360287	106139	107782	149998	277502	24405	77314	34408	63869	39594	48342	19309	17644
Ceramide (d18:1) C14:0	12554	18907	8599	15157	12860	49708	10743	51146	39116	71666	40480	39728	34797	36563
Ceramide (d18:1) C15:1	29976	86458	36102	30209	47854	76453		95						
Ceramide (d18:1) C15:0	38432	72812	27343	47904	31088	120928	46046	150011	91179	175989	102715	101491	62372	60088
Ceramide (d18:1) C16:1	51098	88782	36841	63934	77727	117613	54462	123728	112363	153124	113690	125324	81981	88395
Ceramide (d18:1) C16:0	654734	1734850	573659	980438	732060	1747400	718774	2232973	1009589	2025502	1044880	1140027	613060	565806
Ceramide (d18:1) C17:2	42402	83552	34545	29952	54248	114462	529			116				
Ceramide (d18:1) C17:1	400378	889675	368459	380366	547055	1084679	4185	17604	3579	6269	4772	5673	945	895
Ceramide (d18:1) C17:0	10180	37211	9908	12300	13049	38628	11381	58378	25738	57180	30488	33062	6342	7084
Ceramide (d18:1) C18:1	52104	194587	38525	33094	54109	112501	26350	85933	34813	72609	51586	56896	37459	38469
Ceramide (d18:1) C18:0	83536	206859	41340	57825	66182	168054	52046	162753	81854	149601	98334	105279	63480	63042
Ceramide (d18:1) C19:1	67927	177141	53158	42455	82464	213398	274	715	229	496	273	396	378	220
Ceramide (d18:1) C19:0	46129	99484	36525	28096	60881	188378	129	2			5			79
Ceramide (d18:1) C20:2	11979	42363	11624	10666	16504	26144	10802	39841	16188	38236	26085	29185	4711	4700
Ceramide (d18:1) C20:0	26277	65063	13247	20165	22670	69744	18867	69626	38134	72114	38603	48374	18296	16467
Ceramide (d18:1) C21:0	4527	20863	2723	1297	4477	10153	5435	21990	5431	10928	6008	5764	832	460
Ceramide (d18:1) C22:2	72333	30049	13863	26620	19348	91739	24986	60307	69942	62853	44644	55567	15654	9634
Ceramide (d18:1) C22:1	2625	8532	231	145	1292	13827	731	5172	2728	6859	2240	4243	4781	5910
Ceramide (d18:1) C22:0	49243	138067	23136	32850	36019	57297	41396	102189	38669	70282	42519	54650	40090	33232
Ceramide (d18:1) C23:1	1350	6615	609	766	666	4974	1126	5053	1631	3434	2168	3428	2489	2069
Ceramide (d18:1) C23:0	52992	145808	27032	31346	49192	68621	66056	140970	45187	84510	54486	72131	29753	24167
Ceramide (d18:1) C24:2	17956	42397	6282	22549	8961	12207	8142	26238	4327	32037	8649	17140	28467	17146
Ceramide (d18:1) C24:1	85308	164459	30346	62331	60302	145916	50038	144919	87839	170880	93311	118886	131360	116903
Ceramide (d18:1) C24:0	194250	419675	72132	87725	159225	236096	200639	442351	144582	248066	155860	206687	86748	74479
LPC C14:0	8803	35539	8030	16403	10351	9869	8646	16580	7036	18126	8199	10005	16191	12596
LPC C15:0	10475	45653	11764	24701	12576	22355	14366	35929	17554	43891	16998	23129	16454	12392
LPC C16:0	2568643	7562151	1982619	3034769	2744699	2102902	2453582	3298653	1864051	3588325	2361728	2929061	2103459	1657841
LPC C17:0	489686	665497	454638	500125	463846	580446	489885	727498	560307	682991	515967	552322	436246	431586
LPC C18:0	1850561	6341255	1874371	2509012	2103623	4176713	2009546	5512967	3064446	5946980	3043321	3260513	3117960	2948142
LPC C18:1	248630	1934711	374838	439890	318907	283644	564260	718490	232749	527404	300100	322335	323607	257196
LPC C22:6	22712	76314	16519	21407	19073	36955	26380	53580	29270	40781	23639	24795	118557	82076
LPE C14:0	5193	73934	20967	8381	7610	5035	2641	7870	882	1221	962	492	87	
LPE C15:0	128767	1265165	350588	109943	125639	154486	73450	204304	49067	60278	48320	41902	956	779
LPE C16:0	137008	1115624	302389	150643	144554	170683	249491	535637	149993	218217	148814	139544	79949	59327
LPE C17:0	5839	40796	9608	8232	4547	14566	45546	148314	47470	62547	41686	34550	7957	5872
LPE C18:0	18820	65101	26493	21802	21722	54795	25862	52110	42588	70353	39939	39994	56432	52686
LPE C18:1	13434	138213	30004	20040	12827	29476	18084	67322	20937	31697	18136	15854	7087	6577
LPE C18:2	66368	838252	189069	69341	72965	51282	101469	268076	42229	53333	44370	32911	3037	2506
LPE C20:4	5251	49082	10528	12129	4724	17293	10853	45410	14793	27053	11236	11167	5541	4710
LPE C22:6	1655	6170	1825	4062	1105	5252	2909	14985	5174	8565	3620	3808	4495	3270
LPE-plasmalogen C16:0	2770	7412	3156	4359	3925	9921	2725	10555	6886	15340	9109	6928	7855	6825
4-cholesten-3-one	1131888	2418608	760818	849477	1173055	1725888	793995	1699127	1206966	1796569	1283934	1336716	950769	975243
oleamide	100871	98986	158624	148027	89866	118348	109929	91670	95282	108617	304363	107098	71875	69528
sphingosine	51215	138686	60917	48671	60250	121639	61472	166166	89485	215828	131169	134893	35023	45424
cholesterol	236656	270024	120968	242034	171227	502479	253483	515187	599964	793059	522807	600051	446762	530187
PC C24:0	1125033	1299751	1001695	997141	1078181	1208666	1058883	1280527	1050117	1206423	1036518	1117307	947759	942658
PC C28:0	7368	16785	3895	31611	3785	41327	9163	44491	22224	63458	27588	32579	35908	21962
PC C29:0	62606	146112	65228	99519	79794	144055	23777	98369	77747	163841	72231	93852	90592	82781
PC C30:0	529947	1563780	430281	829705	599562	886857	338088	988133	393894	992751	518165	594548	361091	253074
PC C30:1	4641	26127	5354	90454	8271	24907	6433	65463	7403	71021	8458	21110	32738	12455
PC C31:0	84852	253876	49149	261535	80184	260607	163266	585359	225928	518691	263585	313281	118216	81274
PC C31:1	5482	70331	15880	214853	25737	54353	32774	195447	36874	178215	44105	70117	73406	43209
PC C32:0	3045991	7894742	1597606	3473842	2657262	3242636	2956585	7469263	2848019	6311968	4181846	5009773	2268642	1637346
PC C32:2	90150	432453	72698	668109	95988	206071	113758	531891	110486	396766	125158	215964	191634	78538
PC C33:1	161434	746676	145643	1453864	205760	611638	369710	1924880	459722	1571543	500221	762937	370388	179558
PC C34:0	498696	1370523	298623	702382	504535	779471	601069	1863237	720349	1533221	931782	1083635	569492	396257
PC C34:1	12252416	40053853	8690688	52286177	12633432	23711858	16910575	51259303	15903102	41732731	19470932	26817677	16722443	9261157
PC C34:2	18664866	53261160	12692109	52362950	15166607	19544100	25587069	61695385	16085152	37761312	21815221	29571772	18157072	9811308
PC C35:1	294606	1028514	254006	1892816	320735	1113822	604117	3151981	962064	2657607	927825	1238683	484534	293876
PC C35:2	416343	1471141	329927	2509566	340042	1001773	928170	4307985	881962	2644485	1053953	1609984	589557	318100
PC C36:0	42406	126992	28023	59583	41088	66547	54360	184496	57882	123761	69633	81668	44128	30530
PC C36:1	2826274	8493802	2178294	14007006	2892746	10592271	4124409	19801672	6859014	18849581	6800096	8653538	5689730	3647785
PC C36:2	10980515	28448425	6697978	34902798	7900460	18080142	13126317	46277105	12562068	33118305	14971368	19218592	15204516	8557881
PC C36:3	3089073	11951636	2394743	12740951	2484892	4142116	4523217	16429547	3019004	9900608	3837472	5919723	3754965	2117706
PC C36:4	1331786	7616635	1392599	3616153	1173205	1947045	2050914	7274395	1181133	2890739	1455748	2217809	1532911	1040356
PC C37:3	25239	119044	21781	193338	23293	90199	60312	336113	66599	262539	66310	105004	51389	25647
PC C38:1	32351	118276	24936	210421	37104	107544	42359	229014	71570	202763	73284	103135	66368	39302
PC C38:2	124526	493294	111728	551931	143127	288491	173527	705331	199914	563700	223903	308552	183077	113405
PC C38:4	2177866	4578602	1299968	6794903	1680639	5076804	2790219	11893274	4343317	12041779	4087030	4945327	3405265	1975442
PC C40:1	40074	145559	32338	269768	46432	140666	64618	278426	95383	220368	92036	116768	88178	47954
PC-plasmalogen C34:0	45272	166267	37774	90575	56947	155643	65016	246438	111278	253545	116676	155407	61397	47833
PC-plasmalogen C34:1	499959	1567189	473081	2314837	631358	2095274	667277	3690637	1428919	3793492	1455416	1742232	902134	730685
PC-plasmalogen C36:1	90878	222201	62518	291618	87465	329269	91022	494581	188441	463123	200673	267075	151290	119519
PE C29:0	3672410	8839036	4291598	4481510	5160032	3561673	2302159	3166727	1124249	1613620	1515025	1577770	62663	45400
PE C30:0	12402475	24413518	12333746	13156103	14950574	13882022	8794580	13930415	6298705	9011050	7864895	8328690	177170	111529
PE C31:0	8626949	20359485	9517396	9355956	11230308	10517070	10302149	14968575	6131555	8254905	7121533	8046552	189685	116768
PE C32:0	324902	531652	239068	249818	327749	399942	2118377	3636104	1759265	2241833	1851862	2000768	23426	8692
PE C33:0	73959	69887	51545	54913	60503	99490	127904	191048	126536	149583	139026	157133	7158	3936
PE C33:1	667429	1757618	852925	852055	972589	790992	569012	968599	475664	642263	545953	573355	104895	75008
PE C33:2	4332875	11988637	6116223	5976816	6459089	3103701	4035828	5777653	2030655	2758314	2703983	2906025	23238	9329
PE C33:3	1948250	4650524	2784663	2670499	2883102	1019640	2280058	2736901	943269	1241988	1338510	1490273	3926	327
PE C34:1	475068	1262400	639815	1249997	710028	533868	1196279	1822684	738982	1005774	869252	1023649	248085	138018
PE C35:1	29632	57352	25768	143906	22594	49932	252026	475840	219544	296319	225787	246991	36371	19449
PE C35:2	108635	283221	115933	183659	130595	257209	1818433	2714363	1001757	1292318	1156582	1313222	108628	66231
PE C35:3	432	1973	1953	2714			137231	165642	64767	74367	71801	91908		
PE C36:1	369895	461836	289703	2143129	301854	993249	496725	1299723	689195	1339905	592027	853831	875354	530859
PE C36:2	676857	1130963	435357	2230536	449259	940052	828823	1912621	623147	1309779	679994	964609	1178810	675562
PE C36:3	126843	329149	114166	605549	108130	177451	173317	475017	112894	280640	126818	209279	222345	114386
PE C37:1	4745	9372	2776	27241	3376	13980	5612	22512	10578	26952	10294	11217	10183	5291
PE C37:2	1599	4411	1255	9774	1046	1932	3637	12412	1292	7154	4054	4722	5216	2382
PE C38:1	11307	26776	7671	69343	9517	30902	15666	63640	19566	51656	19732	26629	21609	10760
PE C38:2	9412	13918	7030	77041	7904	23515	13624	43103	13755	37576	11819	22085	25091	12973
PE C38:3	71647	88610	49066	307372	50531	119098	89465	219525	75340	180256	77428	114898	138532	86905
PE C39:1	39051	53110	30616	38708	50484	87654	34990	91881	66491	91790	69879	77833	87607	81158
PE C38:4	317007	463114	203343	1465243	230490	639062	445278	1337254	480838	1213029	467342	621272	685219	384791
PE C42:1	14604	43797	19520	22800	26234	39608	23472	39966	31658	48640	35358	35414	26800	23643
PE C43:1	232	1225	443	148	288		428	1695	294	7	521	90		
PE-plasmalogen C33:3	674290	1919738	880398	768239	985490	639485	280529	469434	186391	240974	217952	219660	3608	1847
PE-plasmalogen C34:1		1446	1099	238	1137	1758	1132	3191	4071	3872	2664	2623	3875	2648
PE-plasmalogen C42:2	11380754	22199305	9886012	11891989	14125477	19042187	12445728	18778016	13467873	17897723	12829882	14863571	4992137	4590134
PE-plasmalogen C42:3	2285361	4919494	1955967	2203851	2491261	3328888	2146196	3472796	2278030	3041182	2212139	2423815	943533	883268
PE-plasmalogen C42:5	705	1146	702	8013	413	3134	583	7403	2880	9327	1850	4152	2076	1073
PE-plasmalogen C29:0	78935	234173	67369	64162	99556	259507	108133	267234	228047	348200	219186	240410	196051	167046
SM C14:0	92665	117456	50591	100870	94617	324007	77339	347874	247894	465366	268539	292271	226749	215477
SM C15:0	244535	517532	147546	286071	233585	424088	204209	634901	399621	686927	398750	490241	239103	219985
SM C16:0	3643423	12606163	3035455	5176219	4198824	6466704	3133679	11196886	3953800	8183164	4579157	5140713	2058274	1707361
SM C18:0	104622	219920	39297	151075	73358	94958	68850	306777	101562	263817	102199	141124	86370	48372
SM C19:2	115578	76815	39506	27706	122333	650702	59300	433806	428489	669212	421221	531085	342119	364668
SM C20:0	91912	129731	23762	81289	43594	37289	29559	130089	34463	124034	34617	62432	41895	16767
SM C22:0	179534	420536	68728	128313	116845	119457	111647	302936	131030	273860	139276	199274	112493	61629
SM C22:1	12374	59503	2215	3532	8151	24608	7172	17364	15571	24305	11616	15910	17552	14070
SM C24:0	248712	447357	81108	141430	155527	171471	175267	372897	189743	348330	194337	270702	184348	116899
SM C24:1	329515	634870	161762	259774	231944	410561	226613	578026	397785	703288	414059	523947	313539	249293
SM C24:2	80896	156978	37112	73259	49423	84977	33843	129467	67115	150121	62976	100812	70233	46889
SM C20:4	15095	12416	12502	12886	12235	24646	12606	14039	15605	18470	22889	17439	17525	19899
CE C16:0	99441	86058	24814	41530	53282	135907	58343	100158	99204	139739	90176	100248	79506	67110
CE C16:1	75476	46064	19662	26653	36492	108431	23897	65769	65961	99732	59600	68228	58536	48728
CE C17:0	44576	62739	20241	35458	48095	51458	48913	69431	46573	70447	47255	57990	32619	25625
CE C17:1	17797	15543	4224	6252	13773	28557	8726	17104	18120	29409	17111	20723	14844	12575
CE C17:3	1166	1650		412	2099	11940	311	4363	5306	10445	5434	6470	2391	2257
CE C18:0	199451	247495	85232	149814	209998	235909	206446	282569	188349	297881	197017	255668	130533	105390
CE C18:1	630860	839964	249362	383928	495415	915268	476839	814802	652574	1003331	697331	799376	402440	363217
CE C18:2	1805085	2779788	632874	1045943	1336256	2662736	1388419	2764550	1907075	3078649	2069286	2418107	1178427	975044
CE C18:3	194213	318943	58748	96127	138363	377155	147826	319733	224864	396398	244553	301590	147496	132008
CE C19:1	450541	887449	378122	455254	635930	733757	576425	816063	603515	874769	623736	729610	376748	326299
CE C19:2	996730	1923443	737463	853588	1311257	1342970	1179234	1458121	1031931	1655208	1206117	1459562	658590	484107
CE C19:3	231983	498261	167138	190851	312416	381122	262130	370337	290086	457212	311284	393197	190315	149442
CE C20:1	735140	1367798	500291	702317	998217	1146000	880534	1349776	878221	1390084	968886	1323961	351494	308711
CE C20:2	3081546	6079085	2465254	2882579	4295661	3816450	3863372	4954635	3181394	4861706	3785287	4591158	1734190	1430601
CE C20:3	942788	1964921	714476	896968	1408830	1406080	1215115	1611045	1045919	1760587	1252661	1583508	671906	548426
CE C22:1	114214	128684	42131	89843	135324	368442	92013	189344	153300	245625	165424	213916	56062	35165
CE C22:3	1358691	4089956	1562751	1682232	2256576	2156294	1998171	3257448	2063319	2857372	2253160	2524131	1103930	976063
MAG C14:0	17036	6287	15639	13686	11516	14702	12302	9397	13278	12254	10663	11051	16544	17625
MAG C16:0	193222	227622	182968	197007	208819	219988	183632	215027	175047	220000	183271	191521	196513	209296
MAG C16:1	16215	34411	17585	15616	18860	36506	18137	33961	26700	38795	25547	25306	14281	13316
MAG C17:0	10252	8318	6908	8431	7454	12634	9164	17861	15322	23193	13794	13399	10045	9784
MAG C18:0	190401	187661	154058	200806	170990	250579	173196	211484	224841	308654	199613	207588	215578	202600
MAG C18:1	501897	1049240	553164	631816	767272	407865	481320	516189	243492	389995	353122	473646	491264	505566
MAG C20:5	915	952	813	560	473	465	397	409	238	237	97	149	201	144
MAG C22:0	26724	14481	8456	9834	15607	40154	12801	24385	29479	53767	28315	31393	21919	22525
MAG C22:1	1030	1535	2253	1659	1062	510	947	1452	417	1211	444	775	536	790
MAG C15:0	99102	172479	161580	90841	97783	196558	93600	163237	143347	207588	132913	124508	13342	13542
DAG C30:0	454253	332469	170327	251683	358783	541285	80832	314541	197180	473901	212745	314629	62692	42716
DAG C30:2	98269	181104	121319	78773	80693	118209	209383	492865	157874	245903	189669	208227	21076	13507
DAG C31:0	245626	241239	137665	182062	294153	377686	147110	232736	271587	799358	356913	510806	15797	16326
DAG C31:2	129715	260425	184095	98616	109682	122650	360288	898162	277534	447678	311522	370991	19445	12156
DAG C32:0	255730	238143	58713	316527	123444	182379	77395	1036416	287970	276093	111643	253787	197756	103080
DAG C32:1	146283	115428	46493	228299	74131	140563	31127	1319372	225605	183045	66983	175722	161688	73589
DAG C32:2	155259	157510	85432	157102	117416	142305	101155	749840	175116	206835	118131	186671	111711	59593
DAG C32:3	10368	8991	2471	8686	12657	35054	13208	71404	13662	28650	14183	25164	19711	12401
DAG C33:1	44531	39694	21630	50516	38127	48541	18500	74951	35275	72194	33171	55123	21234	11004
DAG C34:0	142415	161223	67959	155306	91163	122215	82150	376337	138742	159630	88598	138302	119571	77302
DAG C34:1	1559607	2071030	354435	2216376	2028472	1427985	815331	6139490	1396215	1957613	843911	2019886	1020846	500709
DAG C34:2	3691889	3867206	683859	3590584	4442843	2924259	1965360	7852539	2071730	3602668	1849155	3977868	2208728	1158440
DAG C34:3	392173	502282	70955	476758	438549	408842	201947	1890774	339484	532227	243142	552607	301307	149207
DAG C35:1	21314	16129	2534	46215	18678	29805	15449	83392	27860	65776	23369	45577	19209	8148
DAG C35:2	44168	45749	6482	81826	48408	56415	52005	145017	59583	135692	60321	115423	46152	22884
DAG C35:3	16935	13311	4	12112	20784	7462	10905	32606	4063	12175	2374	16880	4986	47
DAG C36:0	145688	142264	120604	146748	118870	133951	127966	155947	136571	142057	128625	126217	128386	115729
DAG C36:1	358622	433822	64645	588331	443685	457202	200135	1115323	347263	558780	206860	487820	397697	207676
DAG C36:2	2306969	2829152	342277	2398947	3124315	2262322	1176671	5151136	1407444	2776998	1116105	2745577	1799329	898986
DAG C36:3	5376481	5936700	757711	4280276	8090775	4839393	2913859	7934268	2563797	5371854	2937262	6361356	3138321	1658510
DAG C36:4	8313863	8552921	1162027	4968922	11830573	6483740	4527163	5696558	2872799	6427738	4431475	7929283	4135806	2359318
DAG C37:2	8076	13508	1654	13163	10380	11351	4744	39112	11166	18150	10054	16430	7426	2704
DAG C37:4						498		1512	1318	1408	1003	468		
DAG C38:1	46675	79575	20510	44067	71916	55333	31970	73591	32069	59765	36267	60170	31000	21448
DAG C38:2	117515	130395	15074	90361	161578	113497	58872	189360	52550	110769	47877	129746	70361	31310
DAG C38:3	147116	131750	19139	201170	152914	227387	75726	336167	97907	228955	67294	185392	167656	79136
DAG C38:4	28836	27909	2707	54487	29311	43299	15302	105180	25743	53290	14283	44144	34313	14290
DAG C38:5	25060	26688	3571	85554	19746	138154	15692	289694	96447	166588	45944	87819	135706	70983
DAG C38:6	98726	41156	12625	90284	49858	214282	49406	366339	157796	217627	88549	136575	229915	115702
DAG C39:0	10318	24827	7633	4629	7075	3622	7028	16323	5793	7080	7480	7322	771	730
DAG C39:4	344	208		2	0	1674	202	3406	1812	3582	1453	1284	1	1
DAG C40:1	21498	20538	1623	20769	26707	16081	9695	16046	7266	18200	7638	20463	9694	4863
DAG C40:2	70533	63917	4113	37977	83039	52048	30871	38946	16091	49727	18649	64527	33396	15414
DAG C40:6	23986	24733	10247	49129	27505	186036	22036	97683	75733	169870	61255	98423	132216	79880
DAG C33:2	8332	9341	3702	4233	7507	3535	5216	7840	4574	5211	3800	8292	2396	1918
DAG C37:1	1105	220		2240	265	1220	147	5727	1736	2615	1386	2485	905	119
TAG C42:0	145434	37091	30597	23120	21286	21693	28287	61933	27893	26381	28101	29272	20797	19777
TAG C43:0	115040	34261	21622	13483	16855	14929	20925	42947	18481	21499	19743	18850	13626	14730
TAG C44:0	301876	42138	55183	45567	37013	47120	49036	151166	56845	47649	48614	45561	52433	47265
TAG C44:1	137989	41365	44567	31969	33773	34066	34666	120564	45532	34138	39677	35827	40795	26857
TAG C45:0	284834	42342	55380	34173	37603	42456	48802	89406	46887	37776	46831	38322	42506	43490
TAG C45:1	165525	25726	48787	21398	26480	26969	29889	54711	37678	26465	36260	25304	32840	27469
TAG C45:2	59651	606	10992	5042	3209	2657	4903	8737	7090		3363	1609	6840	4296
TAG C46:0	615432	92524	116855	170945	77757	91996	93667	901086	191504	115845	101110	115835	119761	100444
TAG C46:1	408801	76007	119756	125043	85815	110648	80525	665280	172422	125575	112495	128402	142610	90993
TAG C46:2	213856	38697	48756	50436	35291	47578	38347	280318	69972	60473	52548	56128	65817	41771
TAG C46:3	11434	4079	1264	5094	2050	6130	3431	50962	9625	11509	6557	11676	9575	4778
TAG C47:0	496282	56079	85568	61618	58473	64099	72627	135524	72057	56279	72609	56751	68408	70295
TAG C47:1	407229	53853	103400	59266	57312	67349	73397	146978	96167	65665	90177	64255	84350	65835
TAG C47:2	242911	31407	55025	27919	33098	46566	35403	81070	53862	38984	47452	38731	44753	37993
TAG C48:0	790206	276932	201834	672774	196958	222718	169908	4329569	600568	364856	188153	334529	261317	170198
TAG C48:1	731608	147026	205486	748976	182339	207485	124705	3617145	694221	353577	210056	391141	360155	180081
TAG C48:2	581142	94638	116267	383642	123081	156972	106077	2318137	387772	256595	152742	270606	258988	121532
TAG C48:3	107135	107916	45144	95031	65433	112374	55881	512773	108846	135593	80963	114778	72222	37585
TAG C48:4	1504	1154	285	2337	598	4048	522	31008	3806	4429	2123	4105	4861	1186
TAG C49:0	283365	27119	46560	37121	28674	30515	41220	107491	42304	30307	39857	29523	39312	39014
TAG C49:1	394974	58755	97028	80817	66880	66564	74558	237943	101089	67994	89142	71394	90342	64857
TAG C49:3	119630	23767	21170	16348	18677	20336	21184	68931	25996	20531	23782	21751	25733	15683
TAG C50:0	452950	408649	222208	423963	167126	151768	204579	1731639	310805	231521	178353	225125	152911	97534
TAG C50:1	1605343	1061448	633686	2472920	927496	1103120	925349	9819352	2260384	1669839	892421	1518837	1179386	578207
TAG C50:2	2365919	747649	395111	3167995	1063445	926525	1557314	12870783	2198797	1721479	663544	1682476	1345571	562896
TAG C50:3	578685	133501	88168	883852	203116	240266	222116	5074895	716994	506618	190114	503150	438236	164864
TAG C50:4	150114	107037	42126	179596	83468	105243	88792	1034380	166066	161839	78441	148307	143433	61923
TAG C51:0	88993	2984	7561	26881	2762	6185	6858	37602	7818	4023	8056	3343	7511	7813
TAG C51:1	180543	19083	36680	58412	24475	27774	30681	178385	53655	34066	36536	36557	48069	28341
TAG C51:2	256182	25080	47517	102177	45347	52144	61607	326760	79118	73162	54035	70074	85659	50343
TAG C51:3	137266	28623	22734	65543	39389	40336	51759	238068	57628	61127	41151	52891	55983	30239
TAG C51:5	23073	13505	954	4071	13008	23063	24538	29057	7689	23298	12455	19998	24321	12235
TAG C52:0	152174	31202	24214	231947	22963	26168	30139	292049	47791	32338	24135	29893	35907	27319
TAG C52:1	631667	153614	152806	709568	240329	200358	295043	3216891	621164	417156	199360	402628	377881	147334
TAG C52:2	2797362	838842	437182	2804239	1380294	1056978	1962627	12479895	2322837	2097490	845072	1775242	1610254	680000
TAG C52:3	4627856	1702064	499943	4231963	2815888	1937232	4326839	19001569	3010605	3452215	1457091	3104754	2610228	1104486
TAG C52:4	6341457	2438700	462672	3523685	3874116	2410774	6922056	12663895	2268969	3662946	1778433	3309132	2698988	1399329
TAG C52:5	1158314	489662	74623	592501	680592	512830	1261404	2707673	434285	751988	334334	679082	610891	306808
TAG C52:6	145457	71340	4723	63632	71146	77510	126537	322410	53481	103824	47703	92177	84229	44944
TAG C53:1	47673	922	3190	16554	2723	4666	5884	54611	9980	5553	4992	7547	9611	3024
TAG C53:2	85843	28645	18593	72551	29685	30372	40111	190300	44132	41908	27401	38503	42731	19263
TAG C53:3	84960	39236	29838	45607	34195	27305	44186	143290	37457	44043	28668	33046	30474	15795
TAG C53:4	70569	24715	2175	52485	37527	37334	73877	192591	30233	53854	20488	46420	47357	19616
TAG C53:5	34299	11903	277	13484	19646	14942	41108	77203	6276	22317	7087	20580	21999	7072
TAG C54:0	102939	14996	10835	118994	8795	14811	14113	63512	15550	17549	14359	16365	23874	20606
TAG C54:1	193044	34727	29338	106417	49032	46783	76578	437382	97324	79471	48285	73056	74094	28667
TAG C54:2	707596	182679	93619	616935	346683	293318	504128	2532508	501741	458604	223113	425071	410964	171480
TAG C54:3	2834040	852308	364281	1780514	1532125	1072723	2323244	7134839	1525984	1635570	899256	1565317	1578124	702480
TAG C54:4	4564792	1962983	434527	2724092	3235810	2010990	5126480	10220160	1975677	3143051	1383749	2825884	2429675	1268712
TAG C54:5	6977510	3037016	471204	2824178	4752365	2965887	7979657	10249515	1969797	4235359	2031867	4018154	3066276	1677081
TAG C54:6	7815573	3487665	385440	2207976	5367223	3061698	9488134	9748298	1681888	4271931	2326130	4245446	3313992	1680846
TAG C54:7	1828956	840099	83999	499787	1132978	865591	2062507	2091648	377226	1078062	532388	976264	857165	448830
TAG C54:9	7094	370	0	87	5958	47131	1399	10912	12916	35894	14938	32789	39059	19281
TAG C55:2	20015	196	237	10132	2058	1794	5903	39325	5326	6171	1449	6784	5912	1211
TAG C55:3	16685			13611	2443	3491	10652	65067	7140	8701	1567	7472	13054	2787
TAG C55:4	12486	385	247	12499	4255	5610	15888	54747	6957	10904	3234	8773	12204	2365
TAG C56:2	111647	24157	5605	51386	41136	42680	76528	193107	32636	47698	21704	43500	39120	15541
TAG C56:3	170477	39691	12175	102338	74954	81508	150600	450538	74900	99597	39693	92781	93091	34730
TAG C56:4	222393	67282	16213	137829	123297	106198	252432	556843	103050	146464	55147	126544	131126	48876
TAG C56:5	215562	59884	9260	118527	114662	113110	279090	434228	87641	159411	53866	114289	131598	57144
TAG C58:10	41026	2383	219	24296	13828	97866	8663	107883	60492	124843	46419	76485	162831	79725
TAG C58:2	44060	4417	792	15783	16257	11707	39430	52882	4269	13621	6225	13800	13247	4572
TAG C58:3	49422	9655	429	23229	20027	17563	46835	78767	9208	21991	7444	19727	19119	6796
TAG C58:4	59619	10714	288	15982	26773	21659	59756	80110	9763	27364	8529	23260	21927	7699
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	quantified m/z	rtimes	Adduct	ChEBI ID	Detailed Annotation
1-deoxysphinganine iso-C16	272.2948	4.22	[M+H]+		1-deoxysphinganine (iso-16:0)
1-deoxysphinganine iso-C17	286.3105	4.48	[M+H]+		1-deoxysphinganine (iso-17:0)
1-deoxysphinganine iso-C18	300.3261	4.68	[M+H]+		1-deoxysphinganine (iso-18:0)
3-ketosphinganine iso-C16	286.2741	4.13	[M+H]+		1-ketoysphinganine (iso-16:0)
3-ketosphinganine iso-C17	300.2899	4.22	[M+H]+		1-ketosphinganine (iso-17:0)
3-ketosphinganine iso-C18	314.3053	4.4	[M+H]+		1-ketoysphinganine (iso-18:0)
CerPE C32	651.508	7.29	[M+H]+		CerPE (iso-d15:0/iso-15:0 (3OH))
CerPE C33	665.5223	7.54	[M+H]+		CerPE (iso-d15:0/iso-16:0 (3OH))
CerPE C34	679.5389	7.78	[M+H]+		CerPE (iso-d16:0/iso-16:0 (3OH))
CerPE C35	693.5533	8.08	[M+H]+		CerPE (iso-d16:0/iso-17:0 (3OH))
CerPI C34	798.5493	7.47	[M+H]+		PI-Cer (iso-d16:0/iso-16:0 (3OH))
CerPI C35	812.5661	7.78	[M+H]+		PI-Cer (iso-d16:0/iso-17:0 (3OH))
CerPI C36	826.5804	8	[M+H]+		PI-Cer (iso-d16:0/iso-18:0 (3OH))
DHCer C32	528.4991	7.43	[M+H]+		Cer (iso-d15:0/iso-15:0 (3OH))
DHCer C33	542.5147	7.65	[M+H]+		Cer (iso-d15:0/iso-16:0 (3OH))
DHCer C34	556.5303	7.91	[M+H]+		Cer (iso-d16:0/iso-16:0 (3OH))
DHCer C35	570.546	8.21	[M+H]+		Cer (iso-d16:0/iso-17:0 (3OH))
DHCer C36	584.5613	8.4	[M+H]+		Cer (iso-d16:0/iso-18:0 (3OH))
DHCer C37	598.5772	8.7	[M+H]+		Cer (iso-d16:0/iso-19:0 (3OH))
sphinganine iso-C14	260.2584	3.87	[M+H]+		sphinganine iso-d14:0
sphinganine iso-C15	274.274	3.99	[M+H]+		sphinganine iso-d15:0
sphinganine iso-C16	288.2897	4.11	[M+H]+		sphinganine iso-d16:0
sphinganine iso-C17	302.3055	4.34	[M+H]+		sphinganine iso-d17:0
sphinganine iso-C18	316.3211	4.51	[M+H]+		sphinganine iso-d18:0
sphinganine iso-C19	330.3367	4.83	[M+H]+		sphinganine iso-d19:0
PE C42:1	830.6636	10.22	[M+H]+
PE C43:1	844.684	10.29	[M+H]+
deoxyketosphingosine iso-C17	284.2949	4.34	[M+H]+
Ceramide (d18:1) C14:0	510.4888	7.86	[M+H]+
Ceramide (d18:1) C15:1	522.4885	7.53	[M+H]+
Ceramide (d18:1) C15:0	524.5043	8.12	[M+H]+
Ceramide (d18:1) C16:1	536.5043	7.93	[M+H]+
Ceramide (d18:1) C16:0	538.52	8.37	[M+H]+
Ceramide (d18:1) C17:2	548.504	7.73	[M+H]+
Ceramide (d18:1) C17:1	550.5197	8.06	[M+H]+
Ceramide (d18:1) C17:0	552.5356	8.61	[M+H]+
Ceramide (d18:1) C18:1	564.5362	8.54	[M+H]+
Ceramide (d18:1) C18:0	566.5512	8.85	[M+H]+
Ceramide (d18:1) C19:1	578.5506	8.55	[M+H]+
Ceramide (d18:1) C19:0	580.5665	8.87	[M+H]+
Ceramide (d18:1) C20:2	590.5504	8.71	[M+H]+
Ceramide (d18:1) C20:0	594.5826	9.29	[M+H]+
Ceramide (d18:1) C21:0	608.5984	9.54	[M+H]+
Ceramide (d18:1) C22:2	618.5802	9.41	[M+H]+
Ceramide (d18:1) C22:1	620.5983	9.38	[M+H]+
Ceramide (d18:1) C22:0	622.614	9.72	[M+H]+
Ceramide (d18:1) C23:1	634.6142	9.58	[M+H]+
Ceramide (d18:1) C23:0	636.6299	9.94	[M+H]+
Ceramide (d18:1) C24:2	646.6137	9.49	[M+H]+
Ceramide (d18:1) C24:1	648.6293	9.77	[M+H]+
Ceramide (d18:1) C24:0	650.6452	10.12	[M+H]+
LPC C14:0	468.3089	4.32	[M+H]+	CHEBI:64483
LPC C15:0	482.3247	4.56	[M+H]+	CHEBI:72736
LPC C16:0	496.3403	4.83	[M+H]+	CHEBI:64563
LPC C17:0	510.3561	5.11	[M+H]+	CHEBI:72737
LPC C18:0	524.3717	5.41	[M+H]+	CHEBI:64561
LPC C18:1	522.3561	5	[M+H]+	CHEBI:64566
LPC C22:6	568.3406	4.67	[M+H]+	CHEBI:64567
LPE C14:0	426.2617	4.34	[M+H]+
LPE C15:0	440.2776	4.51	[M+H]+
LPE C16:0	454.293	4.85	[M+H]+	CHEBI:90452
LPE C17:0	468.3091	5.07	[M+H]+
LPE C18:0	482.3245	5.28	[M+H]+	CHEBI:64576
LPE C18:1	480.3089	4.91	[M+H]+	CHEBI:64575
LPE C18:2	478.2935	4.58	[M+H]+	CHEBI:91296
LPE C20:4	502.2935	4.6	[M+H]+	CHEBI:64569
LPE C22:6	526.294	4.58	[M+H]+	CHEBI:72734
LPE-plasmalogen C16:0	440.315	5.19	[M+H]+
4-cholesten-3-one	385.3468	7.2	[M+H]+	CHEBI:16175
oleamide	282.2793	5.24	[M+H]+	CHEBI:116314
sphingosine	300.2898	5	[M+H]+	CHEBI:16393
cholesterol	369.3519	7.41	[M-H2O+H]+	CHEBI:16113
PC C24:0	622.4446	6.53	[M+H]+	CHEBI:85564
PC C28:0	678.5072	7.67	[M+H]+	CHEBI:65294
PC C29:0	692.5228	7.95	[M+H]+	CHEBI:134575
PC C30:0	706.5385	8.18	[M+H]+	CHEBI:65303
PC C30:1	704.5231	7.84	[M+H]+	CHEBI:65302
PC C31:0	720.554	8.43	[M+H]+	CHEBI:134487
PC C31:1	718.5388	8.14	[M+H]+	CHEBI:72426
PC C32:0	734.57	8.67	[M+H]+	CHEBI:66850
PC C32:2	730.5388	8	[M+H]+	CHEBI:66848
PC C33:1	746.5701	8.58	[M+H]+	CHEBI:86472
PC C34:0	762.6009	9.11	[M+H]+	CHEBI:66855
PC C34:1	760.5856	8.81	[M+H]+	CHEBI:64517
PC C34:2	758.5698	8.5	[M+H]+	CHEBI:64516
PC C35:1	774.6012	9.03	[M+H]+	CHEBI:134273
PC C35:2	772.5856	8.74	[M+H]+	CHEBI:85766
PC C36:0	790.6319	9.52	[M+H]+	CHEBI:66858
PC C36:1	788.6169	9.25	[M+H]+	CHEBI:66857
PC C36:2	786.6012	8.97	[M+H]+	CHEBI:64433
PC C36:3	784.5854	8.65	[M+H]+	CHEBI:64523
PC C36:4	782.5692	8.32	[M+H]+	CHEBI:64520
PC C37:3	798.6013	8.9	[M+H]+	CHEBI:134648
PC C38:1	816.6487	9.66	[M+H]+	CHEBI:66860
PC C38:2	814.633	9.34	[M+H]+	CHEBI:66859
PC C38:4	810.6009	8.99	[M+H]+	CHEBI:64526
PC C40:1	844.6792	10.04	[M+H]+	CHEBI:66865
PC-plasmalogen C34:0	748.622	9.41	[M+H]+	CHEBI:67077
PC-plasmalogen C34:1	746.6054	9.11	[M+H]+	CHEBI:67076
PC-plasmalogen C36:1	774.6374	9.53	[M+H]+	CHEBI:67066
PE C29:0	650.4761	7.89	[M+H]+
PE C30:0	664.4919	8.13	[M+H]+	CHEBI:71704
PE C31:0	678.5074	8.38	[M+H]+
PE C32:0	692.5233	8.57	[M+H]+	CHEBI:71711
PE C33:0	706.5384	8.86	[M+H]+
PE C33:1	704.5232	8.54	[M+H]+
PE C33:2	702.5074	8.21	[M+H]+	CHEBI:134446
PE C33:3	700.4914	7.9	[M+H]+
PE C34:1	718.5386	8.81	[M+H]+	CHEBI:71720
PE C35:1	732.5547	8.99	[M+H]+	CHEBI:134264
PE C35:2	730.5394	8.69	[M+H]+	CHEBI:136160
PE C35:3	728.5234	8.41	[M+H]+
PE C36:1	746.5701	9.25	[M+H]+	CHEBI:134451
PE C36:2	744.5543	8.97	[M+H]+
PE C36:3	742.539	8.64	[M+H]+
PE C37:1	760.5881	9.45	[M+H]+
PE C37:2	758.5709	9.2	[M+H]+	CHEBI:134265
PE C38:1	774.6028	9.66	[M+H]+	CHEBI:71734
PE C38:2	772.587	9.34	[M+H]+
PE C38:3	770.57	9.12	[M+H]+
PE C39:1	788.6169	9.82	[M+H]+	CHEBI:134240
PE C38:4	768.5548	8.99	[M+H]+
PE-plasmalogen C33:3	686.5122	8.53	[M+H]+
PE-plasmalogen C34:1	704.56	8.92	[M+H]+
PE-plasmalogen C42:2	814.6712	10.44	[M+H]+
PE-plasmalogen C42:3	812.656	10.44	[M+H]+
PE-plasmalogen C42:5	808.6224	9.92	[M+H]+
PE-plasmalogen C29:0	636.497	7.97	[M+H]+
SM C14:0	675.5437	7.71	[M+H]+
SM C15:0	689.5596	7.96	[M+H]+
SM C16:0	703.575	8.22	[M+H]+	CHEBI:91065
SM C18:0	731.6064	8.72	[M+H]+
SM C19:2	741.5907	8.4	[M+H]+
SM C20:0	759.6365	9.19	[M+H]+
SM C22:0	787.6702	9.61	[M+H]+	CHEBI:91066
SM C22:1	785.6553	9.27	[M+H]+
SM C24:0	815.7035	10.02	[M+H]+	CHEBI:91067
SM C24:1	813.6847	9.66	[M+H]+	CHEBI:91068
SM C24:2	811.6712	9.38	[M+H]+
SM C20:4	751.574	7.62	[M+H]+
CE C16:0	642.6192	12.04	[M+NH4]+
CE C16:1	640.6037	11.73	[M+NH4]+
CE C17:0	656.6347	12.23	[M+NH4]+
CE C17:1	654.6192	11.91	[M+NH4]+
CE C17:3	650.5881	11.36	[M+NH4]+
CE C18:0	670.6505	12.44	[M+NH4]+
CE C18:1	668.6348	12.12	[M+NH4]+
CE C18:2	666.6191	11.82	[M+NH4]+
CE C18:3	664.6034	11.55	[M+NH4]+
CE C19:1	682.6503	12.21	[M+NH4]+
CE C19:2	680.6346	12.02	[M+NH4]+
CE C19:3	678.619	11.73	[M+NH4]+
CE C20:1	696.6662	12.54	[M+NH4]+
CE C20:2	694.6501	12.21	[M+NH4]+
CE C20:3	692.6347	11.91	[M+NH4]+
CE C22:1	724.6979	12.99	[M+NH4]+
CE C22:3	720.6658	12.17	[M+NH4]+
MAG C14:0	325.2351	4.65	[M+Na]+	CHEBI:87249
MAG C16:0	353.2664	5.21	[M+Na]+	CHEBI:87251
MAG C16:1	351.2508	5.03	[M+Na]+	CHEBI:87253
MAG C17:0	367.2822	5.51	[M+Na]+
MAG C18:0	381.2978	5.85	[M+Na]+	CHEBI:87255
MAG C18:1	379.282	5.38	[M+Na]+	CHEBI:87256
MAG C20:5	399.2504	0.33	[M+Na]+	CHEBI:86397
MAG C22:0	437.3605	7.2	[M+Na]+
MAG C22:1	435.3454	7.17	[M+Na]+
MAG C15:0	339.2508	4.76	[M+Na]+
DAG C30:0	558.5096	8.69	[M+NH4]+	CHEBI:85683
DAG C30:2	554.4788	8.1	[M+NH4]+	CHEBI:85722
DAG C31:0	572.5254	8.92	[M+NH4]+
DAG C31:2	568.494	8.34	[M+NH4]+
DAG C32:0	586.5409	9.2	[M+NH4]+	CHEBI:85688
DAG C32:1	584.5254	8.88	[M+NH4]+	CHEBI:85687
DAG C32:2	582.5099	8.55	[M+NH4]+	CHEBI:85686
DAG C32:3	580.4945	8.24	[M+NH4]+	CHEBI:85685
DAG C33:1	598.5411	9.11	[M+NH4]+	CHEBI:85690
DAG C34:0	614.5726	9.61	[M+NH4]+	CHEBI:86974
DAG C34:1	612.5568	9.32	[M+NH4]+	CHEBI:85694
DAG C34:2	610.5412	9.02	[M+NH4]+	CHEBI:85693
DAG C34:3	608.5256	8.74	[M+NH4]+	CHEBI:85692
DAG C35:1	626.5724	9.53	[M+NH4]+	CHEBI:85697
DAG C35:2	624.5566	9.24	[M+NH4]+	CHEBI:85696
DAG C35:3	622.5404	8.93	[M+NH4]+	CHEBI:85695
DAG C36:0	642.6036	10.01	[M+NH4]+	CHEBI:86987
DAG C36:1	640.5878	9.73	[M+NH4]+	CHEBI:86980
DAG C36:2	638.5726	9.45	[M+NH4]+	CHEBI:85701
DAG C36:3	636.5565	9.15	[M+NH4]+	CHEBI:85700
DAG C36:4	634.541	8.85	[M+NH4]+	CHEBI:85699
DAG C37:2	652.5883	9.66	[M+NH4]+
DAG C37:4	648.5561	9.2	[M+NH4]+
DAG C38:1	668.6196	10.13	[M+NH4]+	CHEBI:85707
DAG C38:2	666.604	9.87	[M+NH4]+	CHEBI:86984
DAG C38:3	664.5876	9.55	[M+NH4]+	CHEBI:85706
DAG C38:4	662.572	9.3	[M+NH4]+	CHEBI:85705
DAG C38:5	660.5569	9.14	[M+NH4]+	CHEBI:85704
DAG C38:6	658.5407	8.84	[M+NH4]+	CHEBI:85703
DAG C39:0	684.6522	10.57	[M+NH4]+
DAG C39:4	676.5898	9.62	[M+NH4]+
DAG C40:1	696.652	10.52	[M+NH4]+
DAG C40:2	694.6356	10.27	[M+NH4]+
DAG C40:6	686.5724	9.38	[M+NH4]+	CHEBI:85709
DAG C33:2	596.5252	8.89	[M+NH4]+	CHEBI:85689
DAG C37:1	654.6041	9.94	[M+NH4]+	CHEBI:85857
TAG C42:0	740.6774	10.92	[M+NH4]+	CHEBI:90293
TAG C43:0	754.6922	11.07	[M+NH4]+
TAG C44:0	768.7077	11.26	[M+NH4]+	CHEBI:90296
TAG C44:1	766.6923	11.04	[M+NH4]+	CHEBI:90297
TAG C45:0	782.7238	11.41	[M+NH4]+	CHEBI:90300
TAG C45:1	780.7083	11.21	[M+NH4]+
TAG C45:2	778.6923	11	[M+NH4]+
TAG C46:0	796.7394	11.59	[M+NH4]+	CHEBI:85868
TAG C46:1	794.724	11.35	[M+NH4]+	CHEBI:85869
TAG C46:2	792.7083	11.18	[M+NH4]+	CHEBI:77447
TAG C46:3	790.6926	10.88	[M+NH4]+	CHEBI:132009
TAG C47:0	810.7555	11.74	[M+NH4]+	CHEBI:85822
TAG C47:1	808.7393	11.54	[M+NH4]+	CHEBI:85724
TAG C47:2	806.723	11.34	[M+NH4]+	CHEBI:132731
TAG C48:0	824.7709	11.92	[M+NH4]+	CHEBI:85870
TAG C48:1	822.7553	11.68	[M+NH4]+	CHEBI:85726
TAG C48:2	820.7397	11.43	[M+NH4]+	CHEBI:85725
TAG C48:3	818.7241	11.2	[M+NH4]+	CHEBI:85871
TAG C48:4	816.7066	10.95	[M+NH4]+	CHEBI:85825
TAG C49:0	838.7864	12.08	[M+NH4]+	CHEBI:85826
TAG C49:1	836.7707	11.85	[M+NH4]+	CHEBI:85728
TAG C49:3	832.7389	11.46	[M+NH4]+	CHEBI:85828
TAG C50:0	852.8022	12.27	[M+NH4]+	CHEBI:85874
TAG C50:1	850.7865	12.01	[M+NH4]+	CHEBI:84665
TAG C50:2	848.7709	11.77	[M+NH4]+	CHEBI:84662
TAG C50:3	846.755	11.53	[M+NH4]+	CHEBI:85729
TAG C50:4	844.7397	11.28	[M+NH4]+	CHEBI:85832
TAG C51:0	866.8174	12.44	[M+NH4]+
TAG C51:1	864.8021	12.18	[M+NH4]+	CHEBI:85733
TAG C51:2	862.7865	11.94	[M+NH4]+	CHEBI:85732
TAG C51:3	860.7707	11.69	[M+NH4]+	CHEBI:85731
TAG C51:5	856.7408	11.28	[M+NH4]+
TAG C52:0	880.834	12.64	[M+NH4]+
TAG C52:1	878.8178	12.35	[M+NH4]+	CHEBI:90302
TAG C52:2	876.802	12.1	[M+NH4]+	CHEBI:85736
TAG C52:3	874.7865	11.85	[M+NH4]+	CHEBI:84661
TAG C52:4	872.7707	11.61	[M+NH4]+	CHEBI:84660
TAG C52:5	870.755	11.38	[M+NH4]+	CHEBI:85734
TAG C52:6	868.7401	11.14	[M+NH4]+	CHEBI:85875
TAG C53:1	892.8333	12.53	[M+NH4]+
TAG C53:2	890.8166	12.27	[M+NH4]+	CHEBI:85739
TAG C53:3	888.8005	12.04	[M+NH4]+	CHEBI:85738
TAG C53:4	886.7869	11.78	[M+NH4]+	CHEBI:85737
TAG C53:5	884.7685	11.56	[M+NH4]+
TAG C54:0	908.8649	13.03	[M+NH4]+
TAG C54:1	906.85	12.73	[M+NH4]+	CHEBI:90305
TAG C54:2	904.8337	12.45	[M+NH4]+	CHEBI:85743
TAG C54:3	902.8176	12.2	[M+NH4]+	CHEBI:84659
TAG C54:4	900.8021	11.95	[M+NH4]+	CHEBI:85742
TAG C54:5	898.7866	11.71	[M+NH4]+	CHEBI:85741
TAG C54:6	896.771	11.46	[M+NH4]+	CHEBI:85876
TAG C54:7	894.7556	11.24	[M+NH4]+	CHEBI:85740
TAG C54:9	890.7257	10.96	[M+NH4]+
TAG C55:2	918.8491	12.65	[M+NH4]+	CHEBI:132032
TAG C55:3	916.833	12.37	[M+NH4]+	CHEBI:132033
TAG C55:4	914.8179	12.11	[M+NH4]+	CHEBI:85746
TAG C56:2	932.8655	12.83	[M+NH4]+	CHEBI:132034
TAG C56:3	930.8495	12.55	[M+NH4]+	CHEBI:85843
TAG C56:4	928.8333	12.29	[M+NH4]+	CHEBI:85842
TAG C56:5	926.8177	12.03	[M+NH4]+	CHEBI:85751
TAG C58:10	944.7714	11.35	[M+NH4]+	CHEBI:85752
TAG C58:2	960.8971	13.27	[M+NH4]+
TAG C58:3	958.8812	12.96	[M+NH4]+	CHEBI:132035
TAG C58:4	956.8643	12.67	[M+NH4]+	CHEBI:132036
METABOLITES_END
#END