metabolite_name	DUKE-17570	DUKE-17571	DUKE-17572	DUKE-17573	DUKE-17574	DUKE-17575	DUKE-17576	DUKE-17577	DUKE-17578	DUKE-17579	DUKE-17580	DUKE-17581	DUKE-17582	DUKE-17583	DUKE-17584	DUKE-17585	DUKE-17586	DUKE-17587	DUKE-17588	DUKE-17589	DUKE-17590	DUKE-17591	DUKE-17592	DUKE-17593	DUKE-17594	DUKE-17595	DUKE-17596	DUKE-17597	DUKE-17598	DUKE-17599	DUKE-17600	DUKE-17601	DUKE-17602	DUKE-17603	DUKE-17604	DUKE-17605
cholesterol	0.867173349	0.867514661	0.85570007	1.032592506	1.774099012	0.839642003	0.783563809	0.957809789	3.127037129	1.26191922	0.949974081	0.64450242	0.337502156	1.047493752	0.502941975	1.068651039	1.106720073	1.226240857	0.573524489	1.119513106	1.078907045	1.322276842	0.764701834	0.878500582	0.812483172	0.617553591	1.320637456	0.411287345	1.612527671	1.446242983	0.973592454	1.070944909	1.487146527	1.203912834	1.026407546	0.724315407
sphingosine	1.107225091	0.995788723	0.907669011	0.990591602	1.360647107	0.918779734	1.043659637	1.329237805	1.512319741	0.970695356	1.510392262	0.845297025	0.37246743	0.749039845	0.887705108	1.490520235	0.678805712	1.121867092	0.69760813	1.012793442	0.974227249	1.19337104	0.790375243	1.233512354	0.722680354	0.801437068	0.990589372	1.036650132	1.638471765	1.593748939	1.035806869	1.123145056	0.846299438	1.361753082	1.004211277	0.927316692
sphinganine	0.827823897	0.80021987	1.191593882	0.943308259	1.299763683	0.753751201	1.127686262	0.943359331	1.595387931	0.923400535	1.050793349	0.989417692	1.196693299	0.650932715	1.022965124	1.293938004	1.070451772	0.967607316	0.883256148	0.865466617	1.012854583	1.885686833	0.774714992	1.05437705	1.095870086	1.006240316	0.918623997	1.518295924	1.505795383	1.205529635	0.73898531	0.993759684	0.801223999	0.892951187	0.951905681	1.364236559
alpha-tocopherol	0.742270862	0.649950034	0.100944295	1.218914089	1.001067919	0.080204482	0.780451857	1.054183581	1.007348156	0.508524901	1.501148841	0.314138931	0.108480039	1.991736048	0.784041592	2.32479544	1.679838991	0.110124404	0.08146917	2.026942458	1.292589177	0.998932081	0.983681466	0.795783303	2.205838739	0.593959883	2.008351806	0.342174872	2.799559186	1.306208208	1.301278533	1.455395018	4.81071545	0.673939151	2.175228414	0.07691035
oleoyl ethanolamide	0.862076495	0.825263533	0.718480255	0.913316021	1.131702576	2.176687398	2.042311174	0.607241612	1.136028489	1.635883166	0.868567172	2.387764316	0.971078531	1.020467322	2.841799059	0.679208833	0.903407854	1.998592519	2.586689457	0.997845967	0.557793405	1.216292391	0.383733002	0.809623327	0.834257854	2.249190501	0.798541281	1.567457917	0.999996498	2.241067101	0.779656188	3.259449408	0.856681303	2.104917405	1.000003502	1.630627593
palmitoyl ethanolamide	1.186744113	1.235645538	0.695702118	0.82049519	2.541543154	0.989162215	1.120761061	0.820055218	2.702248326	0.998744973	0.938733771	1.090235409	1.157461062	1.297726822	1.001255027	1.072947602	1.050204316	1.032425912	0.981477416	0.867081696	0.89773529	0.823147914	0.847236892	0.768998109	1.382849616	1.127807071	1.191766984	1.005887629	1.43699666	0.851672518	0.915459387	0.825601822	0.768404422	0.753446263	1.200392478	0.848715127
1-stearoyl-2-oleoyl-GPS (18:0/18:1)	1.013798684	0.938611012	0.573413133	0.65201101	2.152440829	0.923193606	1.292110892	1.038078133	2.452086336	0.655147501	0.970768772	1.049861014	1.673056398	1.025851921	0.868460239	1.214289089	0.894050593	0.648558995	0.96168698	1.188398904	1.020033526	0.609494041	0.977568246	0.984677625	1.373351945	1.519270177	1.114477182	1.535877253	1.464881005	0.878774312	1.024743562	0.986201316	0.692829365	0.752095321	0.908094493	1.095998648
palmitoylcarnitine (C16)	0.642756967	0.559968739	0.590451915	0.470052489	1.092070617	0.797416463	0.953169973	1.270851304	1.653357467	1.384370711	1.414437036	3.861134239	1.673401738	0.757309139	0.943509267	1.232049471	0.88649719	2.007106618	0.679922223	0.797029667	1.39034547	1.229673192	0.747448348	0.586775359	3.407449154	2.775600659	1.005428825	1.981764545	0.994571175	1.378802982	0.397647738	0.936103631	1.088861393	1.016781225	0.956553006	0.946578648
7-ketocholesterol	0.968467792	1.011844534	0.912364715	0.741542554	1.256795746	0.845795513	2.001946349	1.720465602	1.288800105	0.848404911	0.984730843	1.303862738	7.983709095	1.181247525	1.489028775	1.673017493	0.889560166	0.507299997	1.794071551	1.032997574	1.201872027	0.988155466	0.700441648	1.077125681	1.339066174	2.454415019	0.88274353	0.850164438	1.251023956	0.647827053	0.949145611	0.761238381	0.878945262	0.493725148	0.782799033	1.41178149
octanoylcarnitine (C8)	0.707000462	0.851681714	0.898376217	0.410322183	1.196230057	0.901219258	0.874848069	0.905630793	1.075009731	2.129646031	0.629410043	2.561181891	1.235759821	0.897535005	1.992623822	0.89807386	0.9752668	0.963225087	0.760540412	0.689722765	1.0247332	2.153591773	1.246505792	0.906537579	2.316539676	1.568458116	0.887389429	2.173315714	1.280493124	2.222376169	1.389984607	2.102408399	0.708631689	1.293364003	0.974123628	1.123619975
decanoylcarnitine (C10)	1.028213056	0.534434096	0.612605891	0.26934021	1.260603334	0.385023317	0.342761832	0.941410048	1.90854908	1.18761085	1.205402566	1.388116578	0.495876193	0.858338336	1.061736692	1.154146366	0.971922103	0.400710832	0.290348029	0.897772827	1.17924007	1.285899776	1.028077897	0.564985045	2.667686247	0.74427746	0.812677781	1.159036398	1.284113053	1.292542337	0.849329035	1.062192894	1.148686041	0.780954968	1.093636152	0.719171602
myristoylcarnitine (C14)	0.673373038	0.567076154	0.560053685	0.350371418	1.050293612	0.500481513	0.66681446	0.991742209	1.765310098	1.1314929	1.317281247	2.658033619	1.151246808	0.811105343	0.819154664	1.19028308	0.917236384	1.127953463	0.462652285	0.796604243	1.225540527	1.213383183	0.768771702	0.51524718	3.23449184	1.749282705	1.008257791	1.227252674	1.070744296	1.237769579	0.418821051	0.866104492	1.017604425	0.926331806	1.041066558	0.814849422
stearoylcarnitine (C18)	0.541370873	0.466416749	0.36844025	0.329311422	1.018392283	0.761933362	0.968427587	1.416363462	1.603459059	1.297041678	1.658497803	2.675712341	1.364294915	0.80440735	1.000422168	1.404181261	0.958685207	1.716532484	0.671270928	0.868056606	1.556412762	0.566396788	0.761593401	0.446639891	2.652408985	2.093132878	1.25374351	1.863207297	1.156590783	1.293908405	0.358599155	0.855163934	1.395484895	0.863095619	0.999577832	0.819000013
laurylcarnitine (C12)	0.80198319	0.519018605	0.702366299	0.336571888	1.083006231	0.419192673	0.44090467	1.051240314	2.093601188	1.182064751	1.572815645	1.794038059	0.606480266	0.918355494	0.949591793	1.529478492	1.021530839	0.48298259	0.346169001	0.998845404	1.449213043	1.368299022	0.982619841	0.455099066	3.001809314	1.071568326	1.08157042	1.001154596	1.397771514	1.349392444	0.683510967	0.982560827	1.351770853	0.957094668	1.082833827	0.703370578
oleoylcarnitine (C18:1)	0.96973935	0.595366718	0.312131983	0.809109959	1.337401251	0.582370966	1.227368031	0.94081689	1.764948574	1.270548618	1.096881263	4.818330316	2.164894681	0.6207979	0.85190067	1.278164785	1.033170992	2.28197469	0.485241065	0.990397032	1.024057895	1.356582586	0.831990507	0.901610781	3.105446174	3.221089014	0.984384898	2.003306865	0.939370462	1.191037996	0.307125383	0.675724173	1.009602968	0.53665174	1.137027811	0.633004093
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	1.094198986	0.67308241	1.185130593	0.75562124	0.683920528	0.823207678	0.756392855	1.49156328	0.428305236	1.154035896	0.829244597	0.928086411	2.024949652	1.018744064	0.768132196	1.380487481	1.074042188	0.995125652	1.08695937	0.802894994	1.123185857	0.38539574	1.047217117	0.797735685	1.455871384	0.900314665	0.868993241	1.209363137	1.149608076	0.97063034	1.004874348	0.900372545	0.854181821	1.269613374	1.040709701	1.471252372
4-cholesten-3-one	0.960769715	1.116131028	1.228174818	0.893774627	1.85524606	1.199613783	0.702738538	1.442700801	2.482605606	1.137372975	0.972101926	0.734279158	1.239859248	1.023838714	0.853705951	1.479345199	1.432668673	1.152232818	0.797694936	0.813831744	1.281289204	0.976161286	1.238555085	0.819705237	1.281708059	0.485617829	1.103923029	0.639054856	1.571459364	0.950689989	1.32287555	0.835774049	0.932142044	0.784305166	0.8501756	0.62101144
stearoyl ethanolamide	1.178471661	0.899939726	1.006193485	1.662394017	1.605980073	1.314430116	0.944897862	0.738870727	2.025299293	1.259641301	0.814720161	0.953759629	0.747617987	0.951441791	1.299366055	0.882386065	1.061258503	1.58271927	1.275659804	0.797266536	0.8381867	1.224864919	0.537315057	0.913774402	0.793054287	0.993806515	0.90936837	1.476361699	1.182006931	1.736548485	0.880149389	1.663915335	0.898400792	1.805009022	0.826435814	1.618706163
linoleoylcarnitine (C18:2)*	0.509855497	0.48733214	3.020278679	2.606078148	1.031229422	1.513982867	0.868437832	0.724650863	1.24722253	1.665029118	0.942457418	1.551574043	0.84573693	0.656036569	1.04026175	1.005618896	0.961320179	2.563181297	1.431991479	0.905865743	1.145700157	4.163680027	0.554225268	1.597406918	1.383403243	0.873807367	0.969769512	0.756598069	0.838731316	1.932383258	0.37896437	1.146107556	0.977429245	0.994381104	1.059545872	0.538286802
margaroylcarnitine (C17)*	0.564372495	0.570278431	0.305468969	0.247094329	1.266396998	0.58426275	0.693047322	1.538372664	1.671337579	1.11917835	1.489600951	2.108197575	1.033655841	0.966344159	0.644959154	1.668656274	1.109237611	1.397359444	0.528827484	0.776345578	1.460451255	0.539884631	0.727705628	0.317538054	2.463032961	1.381344505	1.205743517	1.167127475	1.348564718	0.866977017	0.483987282	0.663178544	1.366785285	0.628616571	1.213374908	0.587714837
1-stearoyl-GPS (18:0)*	2.138749217	2.512779866	0.858040371	0.630527396	2.781679885	0.490486012	0.73140049	1.254754141	2.419019324	0.84527513	2.3567941	0.580618202	1.537625049	1.550929198	0.448623613	1.842480562	1.830197175	0.447616717	0.683259829	0.956194801	1.055829315	0.512980349	0.966197757	0.787891849	1.668961854	0.476087146	2.120691233	0.546986615	1.91396675	1.033802243	1.50976777	0.605770249	1.295406704	0.506116525	2.165191987	0.650405622
myristoleoylcarnitine (C14:1)*	2.517797075	0.996976792	0.106676845	0.20486297	3.165183977	0.393903997	0.576858859	2.299068345	5.721689365	0.564898752	5.128286322	2.294803279	0.558606087	2.048146973	0.403248336	3.183274379	3.02948811	0.779947553	0.153151276	2.660275749	3.513152529	0.142507307	3.058510501	0.306575751	7.898565134	1.003023208	2.265008116	0.416522895	2.725453005	0.406508529	0.87103085	0.227319498	3.350343629	0.524764147	2.713230817	0.383525479
nonanoylcarnitine (C9)	1.12527741	0.637810191	0.601474424	0.598865854	1.52797218	0.431555879	0.43154719	0.917007148	1.663784669	1.192743969	0.883698782	0.43154719	0.43154719	1.04518857	1.318742603	1.313197002	0.98625678	0.523623984	0.43154719	0.773574019	0.921817623	1.257977341	0.43154719	0.746807065	2.18094197	0.966465709	0.832465837	1.240631479	1.76948303	0.43154719	1.440999564	1.354916746	1	0.813503739	1.199099426	1.180142542
gamma-tocopherol/beta-tocopherol	0.075147634	0.075147634	0.870626383	2.00602814	0.075147634	0.724174821	1.400678909	0.075147634	0.075147634	2.593005525	0.075147634	1.16976323	1	0.196610718	1.522722689	0.075147634	0.075147634	1.695919435	0.926924752	0.075147634	0.075147634	3.001091242	0.075147634	1.478095743	0.075147634	1.159825128	0.075147634	0.547295131	0.325116212	2.654259305	0.112019939	1.74446706	0.212423991	0.886167819	0.075147634	0.901028204
palmitoleoylcarnitine (C16:1)*	1.130538671	0.582535062	0.128852982	0.369245811	1.540720451	0.286121335	0.581464886	1.028433309	2.450023821	0.701941683	1.349917391	2.948239692	1.161688549	0.825969548	0.407149325	1.365983397	1.241954538	1.063390668	0.209251158	1.048180081	1.128739044	0.519899244	0.910928033	0.427980573	3.789479454	2.020903808	1.134734442	0.971566691	1.384043455	0.663172118	0.43420024	0.318962031	1.174331758	0.326357325	1.410158743	0.385213952
1-stearoyl-2-docosapentaenoyl-GPS (18:0/22:5n3)*	1.950771784	1.641526679	0.241034976	0.862243551	1.014438775	0.103383571	0.59389648	1.259726854	1.324806337	0.267858894	2.093418996	0.411116896	0.159670195	1.85468174	0.595652884	1.968365332	1.582990657	0.136265986	0.11876587	2.167061238	1.941300672	0.399352347	1.760472386	0.985561225	1.541393087	0.737609394	1.720680546	0.658586172	1.47318423	0.384776	1.674429039	0.697082144	1.52356636	0.257509213	1.587708711	0.54430337
1-stearoyl-2-dihomo-linolenoyl-GPS (18:0/20:3n3 or 6)*	0.927003092	1.064393263	0.767101432	0.633916091	0.703988918	0.951793786	1.302771289	0.904116057	0.638606739	0.9438027	0.795699356	1.213142742	1.848151358	1.075591712	0.90951306	1.071146448	1.040599226	1.042447346	1.09950475	0.860795645	0.895265047	0.725638592	1.041806882	0.99820697	1.444993432	1.584408875	0.915809594	1.26792958	1.017107013	1.255915316	0.965347145	0.998466846	0.817361363	1.084415627	1.001533154	1.78271823
sphingadienine	1.200796834	0.985276849	0.757641983	0.937250231	1.491870709	0.716021169	1.206415561	1.250107452	1.872451586	1.094731804	1.365873989	0.98562689	0.297716137	0.885783608	0.723359899	1.20150337	0.69734276	1.088343296	0.72946161	0.895212517	0.786257325	1.720085104	0.698668063	1.189398815	0.842571604	0.920452389	1.263152419	0.851210856	1.661707751	1.590390753	1.01437311	1.097357629	0.870223817	1.281963514	1.164151714	0.884135885
linolenoylcarnitine (C18:3)*	1.130436296	1.279163134	0.420624646	1.018996765	2.076764974	0.223906515	0.291964161	1.174582481	3.103800241	0.332999897	2.598790201	0.277357853	0.06028316	1.679144798	0.377830935	2.222481833	2.329463611	0.261664638	0.173947001	2.272436867	2.255981592	1.47198101	0.974355466	0.683983323	2.054410202	0.246611986	2.178046128	0.233503602	1.711989344	0.351961075	0.981003235	0.382402084	1.919184669	0.225096306	2.490433029	0.098867449
behenoylcarnitine (C22)*	0.40979523	0.508836005	0.350850713	0.143037996	0.863321765	1.71082426	1.231318941	0.644698072	0.991724975	2.989423516	0.573162874	4.156127892	0.255415294	0.914414619	2.114902521	1.202069526	0.942304767	1.446261643	1.615669277	0.635965659	1.072368487	0.348080488	0.665864911	0.313027199	1.869069508	2.154249362	1.052772219	3.417895795	0.921862749	2.984502018	0.476014825	2.672207008	0.838247462	1.495051738	1.008275025	1.101556896
arachidoylcarnitine (C20)*	0.481920828	0.438502899	0.366008971	0.195969881	0.824989732	1.090396205	1.097271385	0.934208224	1.150835678	1.653298429	0.903446361	2.832768645	0.619047893	0.835170514	1.4040043	1.265146424	0.918939034	1.59533428	1.060081916	0.760777767	1.179793638	0.372542225	0.715706531	0.374079316	1.956090561	1.855608572	1.006418819	2.261698892	0.97152707	1.905578503	0.405064459	1.428526001	1.054201376	1.085040379	0.993581181	0.886417083
lignoceroylcarnitine (C24)*	0.402758081	0.546070278	0.372583502	0.372583502	1.380909395	0.527573125	0.372583502	0.995840323	1.127088698	1.579322061	0.569699815	1.401294338	0.372583502	1.126916888	0.841299669	1.133131745	1.004159677	0.396766295	0.438521083	0.609024163	1.493874495	0.372583502	0.969868726	0.372583502	2.092085231	0.609643174	1.227676405	1.17423005	1.130103505	0.934561763	1.238869158	1.15529524	0.691276275	0.437158623	1.828781752	0.372583502
cerotoylcarnitine (C26)*	0.53428531	0.226426091	0.111547781	0.111547781	1.114158084	0.111547781	0.111547781	1.697222338	0.900083263	0.232104645	0.494318116	0.111547781	0.111547781	0.808640228	0.111547781	1.295376392	0.716309606	0.111547781	0.111547781	0.575204203	1.826971466	0.111547781	1.256279298	0.111547781	1.1777429	0.111547781	1.301611144	0.140177018	1.803594475	0.111547781	1	0.111547781	1.21032048	0.111547781	1.613121456	0.111547781
arachidonoylcarnitine (C20:4)	0.702817098	0.623295859	1.8831972	1.978309351	1.411133941	1.102280651	0.659624405	0.814166196	1.562205051	1.052793607	0.825114761	0.885023688	0.508232042	0.802867986	0.584149277	1.020418334	1.09488569	1.630642448	1.025887359	0.979581666	1.18630235	3.433600493	0.612929784	1.246476346	1.143317641	0.605291762	1.17409499	0.563665971	0.971233013	1.260143275	0.550059207	0.707872483	1.11637549	0.415480648	1.441910088	0.221843276
eicosenoylcarnitine (C20:1)*	0.386677002	0.452493858	0.413104862	0.267380412	1.000655733	1.027845075	1.658100369	0.889236006	1.284351126	1.885667892	0.999344267	4.479418667	2.046718934	0.60343112	1.467143474	1.027162482	0.897967425	3.334595004	0.956283749	0.803522445	1.359347706	0.326389878	0.743431948	0.386490637	2.513039717	3.57185893	0.889066456	3.170703375	0.874355379	2.239407625	0.28896693	1.201952092	1.076279278	0.961228607	0.949581315	1.041860273
dihomo-linoleoylcarnitine (C20:2)*	0.427844796	0.571013033	0.537797064	0.395688274	1.455842547	0.93206561	0.800157348	0.997750173	1.593184967	1.964027016	0.982267815	5.854407929	2.812910931	0.780802903	1.246759545	1.118138877	1.180692451	4.689031245	0.73611102	0.848638879	1.408896843	0.614239547	0.741849833	0.368773361	5.202398846	2.303012634	1.002249827	2.223637988	1.133509128	1.835673064	0.432536713	0.816787012	0.946788042	1.205269393	1.577128386	0.771014288
dihomo-linolenoylcarnitine (C20:3n3 or 6)*	0.74789737	0.887145084	1.100364412	1.204773872	2.673849284	0.738443493	0.60540194	0.832922411	2.313653737	1.197575292	0.905725209	1.252912055	0.358658055	1.033697167	0.479660359	1.213152996	1.38981676	1.253396292	0.650489326	1.042922119	1.149351843	2.420640262	0.697123243	0.821587042	2.574657231	0.80189014	1.411811227	0.821216656	1.251099949	0.966302833	0.66964091	0.515851645	1.071379769	0.362856168	1.819707383	0.250191209
erucoylcarnitine (C22:1)*	0.374002173	0.534241022	0.440495793	0.186021493	0.845374838	1.542256702	1.803443356	0.661680917	1.055623149	2.15450981	0.539359384	4.332455874	0.806567765	0.58700821	1.923376398	1.103183627	1.033541252	2.587232855	1.60960542	0.734711789	1.131700713	0.427838791	0.719585177	0.357299855	2.084561883	3.127992311	0.90430579	3.471394672	0.836205951	3.327917784	0.322399037	2.02691714	0.907469429	1.372246793	0.966458748	1.04909504
nervonoylcarnitine (C24:1)*	0.367534838	0.597723261	0.556692314	0.166129261	1.032806238	2.197898825	1.875177701	0.503954955	0.989316039	3.072032095	0.409174053	5.15524653	0.345546691	0.677910577	2.205101404	1.056102065	1.059648248	2.043889354	1.928069229	0.58320078	0.988897815	0.47323774	0.69484997	0.318641978	2.115512436	3.082440525	0.951724943	4.147324663	0.867016986	4.03952676	0.476787802	3.12514534	0.757295056	1.620858941	1.010683961	1.059770742
tetracosadienoylcarnitine (C24:2)*	0.235228676	0.235228676	0.44150306	0.235228676	0.806612221	1.447758999	0.725232482	0.235228676	1	2.251477307	0.235228676	3.006209244	0.235228676	0.400021713	1.197201579	0.831501729	1.031342733	2.21499114	1.373929813	0.475946329	0.703157504	0.235228676	0.537969896	0.235228676	1.691181449	1.598758385	0.235228676	1.807969872	0.457206529	2.53723095	0.235228676	1.442917913	0.498683206	1.05875026	0.918740501	0.387400102
docosadienoylcarnitine (C22:2)*	0.258198287	0.395621955	0.414217003	0.113117744	1.031361133	1.058264292	0.922278367	0.622363715	1.417088524	2.29137852	0.521933846	4.036351816	0.968638867	0.532511151	1.182596036	1.117764743	1.038880314	3.264271353	1.08989905	0.620973779	1.20501831	0.281097311	0.793223396	0.200263799	2.790360247	2.014132448	0.685315984	1.979720682	0.799797227	2.057417861	0.322836148	1.041989549	0.813605598	1.042895905	1.032969396	0.570252021
docosatrienoylcarnitine (C22:3)*	0.382379705	0.665635907	0.382379705	0.382379705	1.854739326	0.382379705	0.756088683	0.865834476	2.457132225	0.799466692	0.90904024	2.458212816	0.420445756	0.85730187	0.519632632	1.145580789	1.649737408	1.358301214	0.478277684	0.382379705	1.485914944	0.382379705	1.040792715	0.382379705	5.224312809	1.318121104	1.007500764	0.680925051	1.234562986	0.992499236	0.382379705	0.382379705	0.678546126	0.382379705	1.478415805	0.382379705
adrenoylcarnitine (C22:4)*	0.831403188	1.050233265	0.813481272	0.899279714	2.525281813	0.800681408	0.677539576	0.987563056	1.880066034	1.298055746	0.79904779	1.609987666	0.423824197	1.124203779	0.483877362	1.15065383	1.543648043	1.012436944	0.659758424	1.086215944	1.0481448	2.28549336	0.732610494	0.721816744	2.941549811	1.017021798	1.625652585	1.138397867	1.402619725	0.801823791	0.85164147	0.651760783	0.831608108	0.563366363	2.192281396	0.278432225
docosapentaenoylcarnitine (C22:5n3)*	1.192596299	0.99995507	0.391157396	1.771852917	2.012830227	0.068077478	0.383715565	0.850156285	2.615692246	0.323546222	1.712164854	0.40817545	0.041135902	1.212905192	0.287568397	1.701151672	1.561543562	0.103984466	0.041135902	1.58898018	1.748642984	2.197559274	0.766470593	1.00004493	1.593716884	0.414302969	1.672416934	0.244185171	1.300093827	0.325657541	0.700657439	0.366805586	1.410325627	0.093160315	1.978182501	0.041135902
5-dodecenoylcarnitine (C12:1)	1.11524718	1.494064789	0.199352282	0.275825801	4.013202768	0.195097587	0.46936069	2.893650682	2.453941605	0.667075399	3.089475003	0.946333144	0.227738938	1.79943121	0.458420046	2.139133813	2.640110499	0.306258762	0.143485406	1.732452796	2.042098578	0.280252269	2.296846461	0.264460568	3.203493783	0.558995575	2.656062522	0.926293795	2.655973552	0.632253848	1.053666856	0.444468522	1.849421674	0.398827889	3.712764041	0.238646989
3-hydroxypalmitoylcarnitine	0.526380625	0.602692005	0.502294488	0.898794625	1.0013148	1.038128334	1.33145688	0.778449426	1.524078443	2.126703768	0.986078341	4.789766277	1.507394679	0.693720079	1.406494495	1.016868417	0.904000821	1.557116844	0.9986852	0.600321433	0.996559123	0.327344925	0.816628197	0.519250103	2.837818014	2.894606586	0.867704486	2.337223875	1.089906477	2.077816817	0.433279476	1.198857885	0.573464642	1.227302182	0.936865682	1.112250376
3-hydroxyoleoylcarnitine	0.633843481	0.552522154	0.522648811	1.671037008	0.992183961	1.15706401	1.335696066	0.594016756	1.654804627	2.630376894	0.759375069	6.1327935	2.250261671	0.619218506	1.536752644	1.13538492	1.155879895	1.418164127	0.972384942	0.637681685	0.738311674	0.268197111	0.951574422	0.476136289	3.293487917	3.804303274	0.773659212	2.735350837	1.01299558	2.225012644	0.311106713	1.367184511	0.54641687	1.007398245	0.931433472	0.992601755
undecenoylcarnitine (C11:1)	1.152113792	0.847886208	0.127807522	0.293168841	2.210139258	0.127807522	0.369648985	2.561496455	2.920948325	0.542072446	1.378118394	1.450347366	0.329423074	1.434903935	0.509594065	2.21927358	1.883626848	0.229978059	0.127807522	1.241785385	1.219931372	0.257329399	2.373757738	0.416595235	2.624811853	0.596451126	2.065061796	0.77177457	2.824424654	0.807653177	0.71555514	0.433384515	1.319193025	0.400124616	2.168364554	0.387499277
3-decenoylcarnitine	0.179981685	0.179981685	0.228231766	0.226220429	0.298015639	0.77732694	1.059982272	0.857362028	0.179981685	2.646138544	0.179981685	4.027219124	0.442795245	0.50523847	1.922743347	0.940017728	0.373510537	0.79941128	0.636981085	0.179981685	0.179981685	1.605487869	0.179981685	1.387727537	0.179981685	1.93341665	0.179981685	2.333045213	0.179981685	4.438166967	0.179981685	1.535028656	0.179981685	2.684449387	0.179981685	1.085858058
3-hydroxydecanoylcarnitine	0.68972833	0.708380286	3.473086451	2.970968494	1.045802169	0.602804401	0.814042667	0.863424819	1.242367306	2.904738793	0.757123327	3.536591519	0.841123202	0.992522879	1.294385192	1.25590397	1.157370322	0.545500633	0.520959724	0.704709	0.812637103	1.123024101	1.771673919	1	2.600867846	2.413747618	0.520959724	1.501791193	0.921002492	2.574265443	0.769718142	1.025345805	0.721299462	1.626461126	0.840082844	0.632796976
cis-3,4-methyleneheptanoylcarnitine	1.157230808	0.887745148	1.019348838	0.648656834	1.546077544	0.465838722	0.681046206	2.272307263	1.607883259	1.84477721	0.639015865	0.88673347	0.493183409	1.647795602	0.486982147	2.039549444	1.602368633	0.156013857	0.342093489	0.980651162	1.317998248	1.235193353	1.600358983	0.440725602	1.838408858	0.634334732	1.567161573	0.637135449	2.281315117	0.948022903	1.579914595	0.580809767	1.429359885	0.718148694	1.245455688	0.519900203
X-23782	2.524886748	2.03809548	0.068169663	0.021450437	1.990485511	0.025087241	0.048445579	1	1.596037089	0.018427863	1.631169499	0.047359808	0.010933362	3.624789063	0.113900876	1.141193903	1.689910287	0.051160673	0.010933362	2.042224833	1.574016139	0.10113964	1.390760251	0.043788581	1.425787739	0.040051227	2.486270788	0.037672635	2.229061178	0.050779846	3.160195315	0.099112488	1.053927257	0.046087388	2.49146381	0.050545593
X-24027	0.767811934	0.644751313	0.994134858	1.055533736	0.774825485	1.048012889	1.103094292	1.033951915	1.012893521	0.950920907	1.034313095	0.920273526	0.795069254	0.878465062	1.130819136	1.029182219	1.075946728	1.073333035	1.203151376	0.842223008	1.123758326	1.220853681	0.996778038	1.003221962	0.7910273	0.982113528	1.066964882	0.824904685	1.137209353	1.15728917	0.71457687	1.067949757	0.935778222	0.97323407	0.79751047	0.904506061

metabolite_name	PLATFORM	KEGG	PUBCHEM	INCHIKEY	SMILES
cholesterol	Pos Late	C00187	5997,6432564,11025495	HVYWMOMLDIMFJA-LBHVWCRMSA-N	CC1(C2C(C)CCCC(C)C)C(CC2)C(CC=C3C4(CC[C@H](O)C3)C)C4CC1
sphingosine	Pos Late	C00319	5280335	WWUZIQQURGPMPG-CCEZHUSRSA-N	CCCCCCCCCCCCC/C=C/C(C(CO)N)O
sphinganine	Pos Late	C00836	3126	OTKJDMGTUTTYMP-UHFFFAOYSA-N	CCCCCCCCCCCCCCCC(C(CO)N)O
alpha-tocopherol	Pos Late	C02477	86472	GVJHHUAWPYXKBD-IEOSBIPESA-N	CC1=C2C(O[C@@](CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C)(C)CC2)=C(C)C(C)=C1O
oleoyl ethanolamide	Pos Late		5283454	BOWVQLFMWHZBEF-KTKRTIGZSA-N	O=C(NCCO)CCCCCCC/C=CCCCCCCCC
palmitoyl ethanolamide	Pos Late	C16512	4671	HXYVTAGFYLMHSO-UHFFFAOYSA-N	CCCCCCCCCCCCCCCC(NCCO)=O
1-stearoyl-2-oleoyl-GPS (18:0/18:1)	Pos Late		9547087	AJFWREUFUPEYII-PAHWMLEVSA-N	CCCCCCCCCCCCCCCCCC(OC[C@]([H])(COP(O)(OC[C@]([NH3+])(C([O-])=O)[H])=O)OC(CCCCCCC/C=CCCCCCCCC)=O)=O
palmitoylcarnitine (C16)	Pos Late	C02990	461	XOMRRQXKHMYMOC-UHFFFAOYSA-N	[O-]C(CC(OC(CCCCCCCCCCCCCCC)=O)C[N+](C)(C)C)=O
7-ketocholesterol	Pos Late		91474	YIKKMWSQVKJCOP-ABXCMAEBSA-N	O=C1[C@@]2([H])[C@]3([H])CC[C@@]([C@H](C)CCCC(C)C)([H])[C@](C)3CC[C@@]2([C@@]4(C)CC[C@H](O)CC4=C1)[H]
octanoylcarnitine (C8)	Pos Late	C02838	123701,11953814	CXTATJFJDMJMIY-UHFFFAOYSA-N	[O-]C(CC(C[N+](C)(C)C)OC(CCCCCCC)=O)=O
decanoylcarnitine (C10)	Pos Late		10245190	LZOSYCMHQXPBFU-UHFFFAOYSA-N	[O-]C(CC(C[N+](C)(C)C)OC(CCCCCCCCC)=O)=O
myristoylcarnitine (C14)	Pos Late		6426854	PSHXNVGSVNEJBD-UHFFFAOYSA-N	O=C(CCCCCCCCCCCCC)OC(CC([O-])=O)C[N+](C)(C)C
stearoylcarnitine (C18)	Pos Late		3006797	FNPHNLNTJNMAEE-HSZRJFAPSA-N	[O-]C(C[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)C[N+](C)(C)C)=O
laurylcarnitine (C12)	Pos Late		168381	FUJLYHJROOYKRA-UHFFFAOYSA-N	[O-]C(CC(C[N+](C)(C)C)OC(CCCCCCCCCCC)=O)=O
oleoylcarnitine (C18:1)	Pos Late		6441392	IPOLTUVFXFHAHI-WHIOSMTNSA-N	[O-]C(C[C@@H](OC(CCCCCCC/C=CCCCCCCCC)=O)C[N+](C)(C)C)=O
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	Pos Late		24779545	SVOUGFFDROZBJI-DNALCEECSA-N	O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(O)(OC[C@]([NH3+])(C([O-])=O)[H])=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O
4-cholesten-3-one	Pos Late	C00599	91477	NYOXRYYXRWJDKP-UHFFFAOYSA-N	CC12C(CCC3C2CCC4(C)C3CCC4C(CCCC(C)C)C)=CC(CC1)=O
stearoyl ethanolamide	Pos Late		27902	OTGQIQQTPXJQRG-UHFFFAOYSA-N	OCCNC(CCCCCCCCCCCCCCCCC)=O
linoleoylcarnitine (C18:2)*	Pos Late		6450015	MJLXQSQYKZWZCB-DQFWFXSYSA-N	[O-]C(C[C@H](C[N+](C)(C)C)OC(CCCCCCC/C=CC/C=CCCCCC)=O)=O
margaroylcarnitine (C17)*	Pos Late		53477803	DWSFAVOTORHAAL-UHFFFAOYSA-N	[O-]C(CC(C[N+](C)(C)C)OC(CCCCCCCCCCCCCCCC)=O)=O
1-stearoyl-GPS (18:0)*	Pos Late		74819135	ZPDQFUYPBVXUKS-KEKNWZKVSA-N	O=P(O)(OCC(O)COC(CCCCCCCCCCCCCCCCC)=O)OC[C@@H](C(O)=O)N
myristoleoylcarnitine (C14:1)*	Pos Late		129691961	ABVVZYXTZLEOHP-OLHLWXQYSA-N	O=C(CCCCCCC/C=CCCCC)O[C@H](CC([O-])=O)C[N+](C)(C)C
nonanoylcarnitine (C9)	Pos Late		91825642	MPSPNFAQQQMFLK-UHFFFAOYSA-N	[O-]C(CC(OC(CCCCCCCC)=O)C[N+](C)(C)C)=O
gamma-tocopherol/beta-tocopherol	Pos Late	C14152,C02483		QUEDXNHFTDJVIY-DQCZWYHMSA-N	CC1=C(C(CC2)=CC(O)=C1C)O[C@@]2(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
palmitoleoylcarnitine (C16:1)*	Pos Late		71464547	JFAGPSOZZSTLRF-KHPPLWFESA-N	O=C(OC(CC([O-])=O)C[N+](C)(C)C)CCCCCCC/C=CCCCCCC
1-stearoyl-2-docosapentaenoyl-GPS (18:0/22:5n3)*	Pos Late		53480355	PZEFRSYCROBXSJ-OGGCYTPNSA-N	CCCCCCCCCCCCCCCCCC(OCC(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)=O)COP(O)(OCC(N)C(O)=O)=O)=O
1-stearoyl-2-dihomo-linolenoyl-GPS (18:0/20:3n3 or 6)*	Pos Late			LIBQKAKFGGIIDU-NVSSCHKGSA-N	O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(OC[C@](C(O)=O)([H])N)(O)=O)OC(CCCCCC/C=CC/C=CC/C=CCCCCC)=O
sphingadienine	Pos Late		6449795	KWDXKYNWAKMLKK-YQMRQDNGSA-N	OC(/C=C/CCCCCCCC/C=CCCC)C(CO)N([H])[H]
linolenoylcarnitine (C18:3)*	Pos Late			WJCRATGUUISKDG-QNEBEIHSSA-N	O=C(OC(C[N+](C)(C)C)CC([O-])=O)CCCCCCC/C=CC/C=CC/C=CCC
behenoylcarnitine (C22)*	Pos Late		71464577	IUMXSSOVGPXXJL-UHFFFAOYSA-N	O=C(OC(C[N+](C)(C)C)CC([O-])=O)CCCCCCCCCCCCCCCCCCCCC
arachidoylcarnitine (C20)*	Pos Late		53477833	SVJLJQBGUITFLI-UHFFFAOYSA-N	O=C(OC(C[N+](C)(C)C)CC([O-])=O)CCCCCCCCCCCCCCCCCCC
lignoceroylcarnitine (C24)*	Pos Late			YDUFZFUYBBPVLJ-UHFFFAOYSA-N	O=C(CCCCCCCCCCCCCCCCCCCCCCC)OC(C[N+](C)(C)C)CC([O-])=O
cerotoylcarnitine (C26)*	Pos Late		53477828	KOCKWDDTAHPJSX-UHFFFAOYSA-N	[O-]C(CC(C[N+](C)(C)C)OC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)=O
arachidonoylcarnitine (C20:4)	Pos Late		136212424	RBFQHRALHSUPIA-SNPVRQPZSA-N	CCCCC/C=CC/C=CC/C=CC/C=CCCCC(OC(C[N+](C)(C)C)CC([O-])=O)=O
eicosenoylcarnitine (C20:1)*	Pos Late			PVOQPLSKYNZHOT-OUKQBFOZSA-N	O=C(OC(CC([O-])=O)C[N+](C)(C)C)CCCCCCCCC/C=C/CCCCCCCC
dihomo-linoleoylcarnitine (C20:2)*	Pos Late			OLZWDVKTOGTVLC-UTJQPWESSA-N	O=C(CCCCCCCCC/C=CC/C=CCCCCC)OC(C[N+](C)(C)C)CC([O-])=O
dihomo-linolenoylcarnitine (C20:3n3 or 6)*	Pos Late			RDIZZXFTCZPSRY-WYTUUNCASA-N	O=C(CCCCCC/C=C/C/C=C/C/C=C/CCCCC)OC(CC([O-])=O)C[N+](C)(C)C
erucoylcarnitine (C22:1)*	Pos Late			WDWXOVLPQSTGNY-SEYXRHQNSA-N	O=C(CCCCCCCCCCC/C=CCCCCCCCC)OC(CC([O-])=O)C[N+](C)(C)C
nervonoylcarnitine (C24:1)*	Pos Late			QGIHQXKFCAACHN-SEYXRHQNSA-N	O=C(CCCCCCCCCCCCC/C=CCCCCCCCC)OC(C[N+](C)(C)C)CC([O-])=O
tetracosadienoylcarnitine (C24:2)*	Pos Late			CWLXSCDZNRLDQX-UTJQPWESSA-N	CCCCC/C=CC/C=CCCCCCCCCCCCCCC(OC(C[N+](C)(C)C)CC([O-])=O)=O
docosadienoylcarnitine (C22:2)*	Pos Late		71464511	LDIMXAXYWUCEAM-UTJQPWESSA-N	CCCCC/C=CC/C=CCCCCCCCCCCCC(OC(C[N+](C)(C)C)CC([O-])=O)=O
docosatrienoylcarnitine (C22:3)*	Pos Late			OCGDLIUNELUBCT-YHTMAJSVSA-N	O=C(OC(CC([O-])=O)C[N+](C)(C)C)CCCCCCCCCCC/C=C/C/C=C/C/C=C/CC
adrenoylcarnitine (C22:4)*	Pos Late			OLORTLVEDIELGC-SNPVRQPZSA-N	O=C(OC(CC([O-])=O)C[N+](C)(C)C)CCCCC/C=CC/C=CC/C=CC/C=CCCCCC
docosapentaenoylcarnitine (C22:5n3)*	Pos Late		71464594	MJPIXACTUMSGGI-WMPRHZDHSA-N	O=C(OC(CC([O-])=O)C[N+](C)(C)C)CCCCC/C=CC/C=CC/C=CC/C=CC/C=CCC
5-dodecenoylcarnitine (C12:1)	Pos Late		91825571	PETYOUXDCHQKTQ-QXPKXGMISA-N	CCCCCC/C=CCCCC(O[C@@H](C[N+](C)(C)C)CC([O-])=O)=O
3-hydroxypalmitoylcarnitine	Pos Late		126456228	MHJOYNGEDDXLLU-UHFFFAOYSA-N	CCCCCCCCCCCCCC(O)CC(OC([N+](C)(C)C)CCC([O-])=O)=O
3-hydroxyoleoylcarnitine	Pos Late		129637446	YBCVTTMMURGSEY-LMLDZDDJSA-N	CCCCCCCC/C=CCCCCCC(O)CC(O[C@@H](C[N+](C)(C)C)CC([O-])=O)=O
undecenoylcarnitine (C11:1)	Pos Late			FVOVZEONZTWNTC-OUKQBFOZSA-N	CCCCCCCC/C=C/C(OC(CC([O-])=O)C[N+](C)(C)C)=O
3-decenoylcarnitine	Pos Late			YMJNFVUJNDWLND-ZHACJKMWSA-N	O=C(C/C([H])=C(CCCCCC)[H])OC(CC([O-])=O)C[N+](C)(C)C
3-hydroxydecanoylcarnitine	Pos Late		121454166	VCRSQDIROUELAR-UHFFFAOYSA-N	OC(CCCCCCC)CC(OC(CC([O-])=O)C[N+](C)(C)C)=O
cis-3,4-methyleneheptanoylcarnitine	Pos Late			LNGSHJPPGDBEPT-VYAYZGMFSA-N	O=C(C[C@@]1([H])[C@@](C1)([H])CCC)OC(CC([O-])=O)C[N+](C)(C)C
X-23782	Pos Late
X-24027	Pos Late