metabolite_name	WT_0hr_1	WT_0hr_2	WT_0hr_3	WT_0hr_4	KO_0hr_1	KO_0hr_2	KO_0hr_3	KO_0hr_4	WT_LPS_24hr_1	WT_LPS_24hr_2	WT_LPS_24hr_3	WT_LPS_24hr_4	KO_LPS_24hr_1	KO_LPS_24hr_2	KO_LPS_24hr_3	KO_LPS_24hr_4	WT_CD40_24hr_1	WT_CD40_24hr_2	WT_CD40_24hr_3	WT_CD40_24hr_4	KO_CD40_24hr_1	KO_CD40_24hr_2	KO_CD40_24hr_3	KO_CD40_24hr_4	WT_LPS_48hr_1	WT_LPS_48hr_2	WT_LPS_48hr_3	WT_LPS_48hr_4	KO_LPS_48hr_1	KO_LPS_48hr_2	KO_LPS_48hr_3	KO_LPS_48hr_4	WT_CD40_48hr_1	WT_CD40_48hr_2	WT_CD40_48hr_3	WT_CD40_48hr_4	KO_CD40_48hr_1	KO_CD40_48hr_2	KO_CD40_48hr_3	KO_CD40_48hr_4
S-1-pyrroline-5-carboxylate	0.293183363	0.293183363	0.293183363	0.293183363	0.293183363	0.293183363	0.293183363	0.293183363	1.475726768	0.846653029	1.060503718	0.923317145	1.858343007	0.977505149	2.171745268	2.389489424	1.137415845	0.293183363	0.293183363	0.293183363	0.293183363	0.293183363	0.948025993	0.293183363	0.502333733	1.276848107	1.469305831	1.022494851	0.293183363	0.293183363	0.956180826	0.293183363	0.293183363	0.7301964	0.839433203	0.599278894	0.293183363	0.293183363	1.293883356	0.293183363
putrescine	0.480249069	0.580558875	0.312244867	0.746978145	0.742467583	0.228585367	0.284654344	0.323730947	2.697147429	2.24750472	2.477110925	2.261331771	0.997567765	0.92621657	1.399788556	1.294925176	3.513827262	3.069856003	3.734131742	2.785368664	1.387629451	2.22047364	1.180269146	1.131555382	0.171485214	0.676490654	1.002432235	0.546711436	0.499715915	0.536682614	0.251783421	0.342455129	1.691409879	2.017764699	2.592491244	1.732141086	0.310582544	0.433586937	0.310177274	0.352446461
spermidine	0.852300897	0.815156738	0.51993194	1.093363181	0.935600355	0.548017753	0.787942411	0.536383048	4.274235892	3.377658747	3.776434277	3.36931438	2.25186745	1.755515859	2.843707893	3.097676233	1.952495555	1.864224182	1.556424584	1.307973715	0.895791558	0.982264573	0.943914151	0.953234282	0.976021014	2.869329209	3.646231327	2.621402782	1.229286343	0.795114754	0.540800222	0.704348572	2.096682961	1.988079619	1.867397363	1.99872499	0.510267941	0.680229521	0.753226348	0.804963551
1-methylnicotinamide	0.800513018	1.396475077	0.770778796	1.754763485	1.424477011	0.684379625	0.770110187	1	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937	0.066026937
alpha-ketoglutarate	0.809448958	1.056749117	0.613835404	1.277437565	1.062111166	0.665953697	0.77269677	0.759661749	2.087739362	1.806572131	1.963753796	1.795126338	1.456331643	1.167804062	1.79744059	1.872528827	1.106417315	1.005894022	1.238561813	0.88761224	0.894133508	1.21417075	0.827543118	0.909630773	0.338496227	0.797373093	1.205285694	0.850738147	1.410062633	1.292529432	0.740208669	1.043315664	0.994105978	0.956810667	0.931290332	0.79767581	0.704584519	0.903194655	0.750295551	0.737926198
uridine 3'-monophosphate (3'-UMP)	0.811857151	0.298758767	1.188142849	1.188773808	0.423759626	0.75342854	1.204102428	1.911107275	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767	0.298758767
3-hydroxy-3-methylglutarate	2.752483164	3.802117411	2.332400004	4.656042108	2.989429204	1.754354883	1.858044777	1.707957745	1.189783185	0.872237116	0.86802068	1.059648258	0.622762068	0.584198212	1.010504573	0.75585898	1.373138995	1.40995302	1.695273649	1.320857205	0.989495427	1.233796119	0.860189714	0.903659859	0.302775406	0.759534267	0.846256366	0.858108321	0.403782327	0.56037509	0.278835453	0.334868302	0.869128441	0.825760072	0.884426733	0.834702623	0.389166805	0.477404022	0.475548985	0.408780407
3-phosphoglycerate	1.419892144	3.285325098	1.732517877	4.411920093	4.045524301	2.02474716	2.038010288	2.232870751	0.835013799	0.593014354	0.698627852	0.849985731	0.908357976	0.721599132	1.115139044	0.968503577	1.239006087	1.031496423	0.939084766	0.642375966	0.938987243	2.83046816	0.537467687	1.106364736	0.14596281	0.230819583	0.461721797	0.373896224	0.74072746	0.362367708	0.383355956	0.416839464	1.088694547	1.351556472	0.909198658	0.629450331	0.607007786	0.543675438	0.640055312	0.386244839
hypoxanthine	2.543134048	1.851927413	1.143405471	2.667541274	1.663839911	0.917206544	2.454659196	2.187000397	1.811734504	1.67273277	1.946402141	1.499434701	1.063868293	0.87702902	1.567743031	1.654252537	1.105320129	0.590250579	0.911675648	0.707806675	0.375468465	0.98590188	0.906859859	0.563566786	0.779625172	2.159258661	2.742223779	1.718589097	1.364885826	1.323245429	0.95546698	1.315639	0.944212237	1.01409812	0.78459698	0.91222521	0.310353335	0.636406272	0.533098331	0.720355591
guanine	0.436686791	0.527033009	0.369857123	0.578414652	0.499707568	0.399046711	0.543784476	0.43971046	3.113141599	2.861271365	2.990584607	2.359994391	1.940327082	1.60388309	2.0742568	2.355250593	1.469383598	1.04755409	1.143583165	0.846594003	0.64106523	1.187386485	0.799168691	0.641971069	1.260616671	3.950899821	4.850645649	3.160140544	2.548904596	2.003898894	1.285756022	1.708021744	1.45112084	1.794816325	1.116667411	1.331846727	0.484413488	0.95244591	0.558519326	0.538224561
quinolinate	0.506694259	0.81232404	0.543711422	1.104346484	1.544777071	0.375050105	0.761046982	0.464395767	0.912965001	0.769812419	0.903430213	0.929112434	1.073624907	1.004459581	1.354194231	1.375099442	1.584118974	1.228631144	1.732574707	1.283468297	1.437320032	2.139301659	1.224766175	1.196620266	0.201326749	0.530715954	0.751081701	0.608104695	0.940792976	1.353631884	0.708548494	0.870865546	0.925560859	1.010314821	1.005231303	0.884313063	0.772473016	1.158850543	0.761325688	1.0191522
N6,N6,N6-trimethyllysine	2.701934829	2.687608292	2.193879315	4.196303312	3.00099534	2.15729362	2.325130626	3.761222789	0.987969156	0.815273242	0.657217289	0.768820003	1.012030844	0.83909399	1.250258036	1.331494277	0.758092494	0.587251797	0.803150418	0.665431388	0.789954568	1.607756236	0.744436979	0.676272728	0.508012654	1.58004945	2.125284794	1.58798014	1.078312807	1.418768759	0.791795228	1.104309308	0.74439751	0.965490128	0.721917927	0.864065539	0.597807701	0.581448286	0.874053039	0.831835209
N-formylmethionine	0.38308026	0.38308026	0.38308026	0.38308026	0.38308026	0.38308026	0.38308026	0.38308026	1.48696475	0.972384897	0.831086981	1.225374888	0.952175678	0.693407454	1.025532316	1.033215259	0.875148225	0.803279024	0.38308026	0.628459312	0.38308026	0.974467684	0.80776355	0.504292727	0.967722259	1.951710376	2.685812284	2.128195586	1.305088718	0.38308026	0.38308026	0.83709777	1.754608292	1.729935454	1.317708724	1.324300882	0.38308026	1.234311079	1.033866687	0.948474322
S-adenosylhomocysteine (SAH)	0.37053838	0.54146204	0.273082185	0.671881247	0.273082185	0.273082185	0.545821604	0.464883587	1.94781597	1.546667793	1.964202588	1.768213071	1.736198643	1.508391951	1.947057113	2.165065566	1.059847313	0.84544418	1.034649006	0.903221432	0.802847826	1.33453033	0.943160818	1	0.543778498	1.504291367	1.97868972	1.460254217	1.826544699	1.841409442	1.22073036	1.670205912	0.991823229	0.891792581	0.852492837	0.828248079	0.273082185	0.806370848	0.735236129	0.782354591
adenosine 5'-monophosphate (AMP)	0.775291716	1.694598095	0.836502327	1.619764464	1.982975313	0.7518442	0.844896488	0.905433316	0.767458359	0.648964374	0.875672595	0.804673256	1.114630199	0.854709533	0.982993046	1.138323095	1.106391505	0.847886129	1.386484834	1.017006954	1.093328326	1.671967212	0.857381642	1.022963824	0.238026257	0.659110742	0.849774946	0.729873136	1.183299371	1.392358739	0.728768289	0.901859888	1.040774456	1.13384366	0.946121346	0.866173575	0.820506615	1.200003825	0.897453817	0.948871818
2'-deoxyadenosine	2.843490726	2.61369001	5.044699782	4.48109233	0.270044716	2.557672343	4.546783599	3.652021492	1.150950421	0.789581214	0.795058741	0.608504547	0.62232119	0.270044716	0.270044716	0.270044716	1	1.269744697	0.982322743	0.270044716	0.270044716	0.270044716	0.74461719	0.270044716	0.270044716	0.963010726	1.576297574	0.731001135	0.270044716	0.270044716	1.024665147	0.270044716	0.270044716	0.270044716	0.337399144	0.539835502	0.270044716	0.874284228	1.241041169	0.270044716
5-methylthioadenosine (MTA)	0.506823911	0.603417663	0.369248677	0.646451871	0.685724276	0.435546739	0.477559114	0.412446566	1.924212574	1.440035181	1.554106805	1.510321525	2.429364214	1.907290388	2.635778187	3.204558305	1.209180507	1.176868705	1.099466657	0.940099898	1.129795444	1.384402806	0.918930343	1.175046417	0.44473407	1.329093712	1.486870143	1.304611991	1.096617211	1.096829145	0.827652166	0.975331137	0.837357549	0.852236937	0.840018095	0.770427823	0.463035892	0.616581144	0.630082981	0.649744645
adenosine 5'-diphosphoribose (ADP-ribose)	0.035000288	1.099389769	1.733501217	2.166720959	1.465636677	1.038353865	0.36023923	0.295123967	0.319884544	0.035000288	0.035000288	0.528028232	0.035000288	0.035000288	0.131668811	0.035000288	0.357327382	2.660449207	2.212614956	0.434020724	2.341392166	1.161525355	0.116364377	2.382918712	0.035000288	0.063859342	0.035000288	0.456206748	0.441221958	0.219379218	0.648348147	0.270991981	2.594118253	0.615658829	2.501236523	1.297158294	1.454144715	0.856513469	1.533012909	1.384575171
AICA ribonucleotide	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	3.499029104	3.54110305	6.920415726	5.421998834	0.173077317	0.173077317	0.654892699	0.396728527	0.173077317	0.526127283	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	1	3.233064715	0.276041771	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317	0.173077317
arginine	1.107109173	1.021834819	0.673940346	1.467298776	1.067727997	0.656547306	0.978705815	1.248653239	0.935156962	0.784197497	0.794507372	0.754507409	0.876436458	0.672825178	0.936610921	1.146743794	1.129119018	0.86054768	1.249796329	0.936864731	1.050938905	1.665265154	0.919300225	0.852739954	0.342387075	1.122477509	1.543734981	1.011124622	0.988875378	1.193002348	0.671349536	0.896070428	0.931158059	1.092778226	0.937926115	0.950256981	0.756775728	0.82931452	0.681801612	0.750768134
argininosuccinate	0.120999431	0.120999431	0.120999431	0.120999431	0.120999431	0.120999431	0.123618845	0.120999431	1.103858102	0.914087445	0.812616761	2.376319129	0.97041867	0.862575775	1.069358506	1.095065888	1.11304173	0.811237114	0.869815227	1.131664774	1.848698862	2.620750402	0.546347651	0.821895417	0.219291097	1.266957354	0.83395395	1.619068156	0.808310306	1.59995012	1.656104619	0.825463726	1.106316755	1.160648057	1.2978423	1	1.303282205	1.210389879	0.714851953	1.47545962
ascorbate (Vitamin C)	14.38405343	20.0245022	10.31389991	15.24690372	22.16463117	17.73942521	13.77413939	13.74501681	2.63769671	2.208865456	1.694061386	2.423936578	1	1.019991904	2.008309532	1.280022024	2.969461359	3.267849527	2.224618774	2.463062478	0.779115522	0.667853732	0.865786546	0.593817622	0.187976589	0.388510611	0.374422328	0.439367622	0.135999062	0.039848817	0.039848817	0.039848817	0.547173627	0.618325044	0.580198373	0.750227235	0.039848817	0.071207425	0.09089681	0.05760931
aspartate	1.185868593	1.636473207	0.92315466	1.755296857	2.290729266	1.114149399	1.314797834	1.254030974	0.966371201	0.809483559	1.117200242	0.941733496	1.320898822	1.033628799	1.359455354	1.653717968	0.652966052	0.514304928	0.74983064	0.55395443	0.576464829	0.839194878	0.434220514	0.526818601	0.160525778	0.470433152	0.600324968	0.468095068	1.360509226	1.568981216	0.743318642	1.11435117	0.482178881	0.464807438	0.446327515	0.432394056	0.382847296	0.54113907	0.36991437	0.459200653
3-(4-hydroxyphenyl)lactate	0.290945812	0.439926727	0.244948074	0.438981563	0.684644732	0.274729708	0.371135179	0.308372495	0.989579153	0.790332748	0.710498254	0.753377338	0.838636684	0.745604597	0.975886879	0.972450272	5.037261827	4.055226922	6.156262458	4.401835527	3.911015064	5.812448535	3.54508798	3.97731847	0.356843044	0.870083809	0.922189479	0.804496269	1.010420847	1.619448922	0.868802602	0.83432705	3.807541062	3.49144376	3.771776614	3.128176341	2.868833996	3.878044559	3.512555625	3.330806586
beta-alanine	0.527244655	0.886660633	0.452284244	0.862520179	1.038609152	0.452433555	0.591674278	0.51891639	1.831553258	1.371475992	1.540015726	1.458674485	0.757173088	0.66968968	0.831083282	0.896817738	1.774017612	1.339836641	1.815779553	1.295758955	0.75083107	1.127511971	0.721807941	0.72077065	1.195713829	3.037029147	3.836304147	2.976719453	1.31677731	1.23911474	0.632947447	0.867472503	2.827457107	2.604676102	2.382838622	2.375528177	0.854959026	0.961390848	0.712412921	0.858659009
carnosine	0.773978138	0.762176209	1.480266931	2.26329065	0.926210363	0.764030242	1.027679816	1.090478047	0.712531962	0.528993111	0.636307795	0.681897745	0.713377462	0.57303254	0.939280823	0.823309622	0.904726597	0.704919022	1.415985451	0.850381159	1.125383242	1.76590407	0.948612756	0.777659453	0.259950268	0.844622206	1.091000014	0.792397965	0.807966129	1.431360766	0.813026219	1.00486844	1.019175797	1.228538091	0.986342444	1.00187159	1.166058625	0.960600781	0.99812841	1.033347955
cholesterol	0.941660125	1.213225573	0.828845174	1.654775163	1.418265727	1.037651872	1.066546951	1.030887316	1.236813623	1.003130712	1.249118073	0.967971801	0.663699531	0.505584446	0.990274743	0.703132506	1.325144663	1.082518544	1.481582143	1.086763282	0.748434502	0.99588958	0.682905907	0.829701675	0.463225366	1.281430732	1.586526109	0.940475133	1.303621649	1.055038607	0.855601627	1.127113374	1.801140149	1.848206584	1.359776017	1.424925928	0.714382858	0.872017912	0.852958581	0.899191119
choline phosphate	1.025517746	1.543546481	0.880171069	1.634646962	1.829922103	0.863409045	0.944870733	0.998502967	0.728218201	0.574993606	0.718402058	0.62074836	0.81296002	0.696724854	0.839844523	1.001497033	1.256247528	0.941194807	1.430282336	0.984708377	1.143696762	1.585328919	0.836986542	0.997415953	0.127401002	0.333220576	0.42366326	0.32318504	0.892263959	0.986168237	0.546777722	0.654743387	1.145570922	1.211463192	1.17799748	0.973845947	1.035599807	1.382095065	0.964519051	1.1608637
CoA-glutathione*	0.474232155	1.592090533	0.671154432	1.566153826	1.755463423	1.053949978	0.654659784	0.805508011	1.46468987	0.702159942	1.069574859	1.083373745	1.019447528	0.828780019	1.384490975	0.992962026	1.315789557	1.679700962	1.430531414	1.071371483	1.244888695	1.391543972	0.680755921	1.437616544	0.125354863	0.202030873	0.25151978	0.16240178	0.638830252	0.810408019	0.563495615	0.5003953	1.007037974	0.896123447	0.855732465	0.572480893	0.579538729	0.474656581	0.87583509	0.509356974
coenzyme A	0.178955687	0.178955687	0.178955687	0.178955687	0.178955687	0.178955687	0.178955687	0.178955687	2.138314466	0.74617883	1.246481473	1.568601714	0.767151342	0.699158392	1.868515115	1.062224151	1.113961224	1.149910926	0.178955687	0.695674895	0.977219091	0.178955687	0.178955687	1.022780909	0.178955687	0.507054374	0.178955687	0.386772154	0.178955687	0.178955687	0.407602215	0.178955687	1.74732262	1.336822492	1.451223526	0.863782444	0.178955687	0.178955687	0.897123234	0.178955687
creatinine	0.393429385	0.590646997	0.312822309	0.626428813	0.666951404	0.336513369	0.403274586	0.376392957	1.358257727	0.946179604	1.125753639	1.157974433	0.96355131	0.785999808	1.141306638	1.257499846	2.872392337	0.897080566	1.436847947	0.880201496	1.086721977	1.741151494	0.955182629	0.903627945	0.330296308	0.957770037	1.372536703	0.927654377	1.253994733	1.313380599	0.826300624	1.03351196	1.029713384	1.105008169	0.970286616	0.871713458	0.949018346	0.955038241	0.829917629	0.885966228
cysteinylglycine	0.211240597	0.211240597	0.213763077	0.211240597	0.211240597	0.249796049	0.211240597	0.211240597	1.528297733	1.431051797	1.824870033	0.98443017	0.826969608	0.983938317	1.261477567	1.743527909	1.017179072	0.770853808	1.497436554	0.791409867	0.508835797	0.211240597	0.992701267	0.78099131	0.357442214	1.084760122	1.691868346	1.122827197	1.007298733	0.968324174	0.211240597	0.570673307	1.319522669	1.639294315	1.494826753	1.32448149	0.211240597	0.211240597	0.713397737	0.211240597
cytidine 5'-monophosphate (5'-CMP)	0.496316216	1.093897785	0.568611911	1.194096409	1.63916067	0.503571482	0.509872422	0.556060971	0.848818464	0.540080538	0.663788145	0.877831139	1.111930557	0.815060526	1.203569452	1.07412373	1.012840417	0.97208154	1.606942455	1.02942992	1.424170958	2.211615119	0.873410953	1.434400794	0.18724734	0.411543164	0.544681296	0.49156701	1.498295739	1.475858634	0.842751452	0.987159583	0.963739475	0.828121135	1.023497832	0.728347481	0.900258073	1.274990332	0.920818733	1.103069449
sphingosine	1.799184668	2.369775729	2.424012901	4.231052864	2.570951357	1.596350795	2.601381642	2.723671035	1.405648443	1.287174628	1.52917694	1.287902624	0.549092106	0.413806886	0.649185587	0.648061541	0.561617924	0.471386973	0.761703817	0.587813676	0.518844464	0.61503698	0.37237483	0.563673709	0.217372975	0.560884266	0.674485189	0.586206981	1.687030401	1.776794053	1.146620745	1.602811039	0.498236959	0.507956172	0.471636261	0.464857518	0.507601968	0.676195585	0.668979888	0.71748743
2'-deoxycytidine 5'-monophosphate	2.840715723	2.40461306	5.15989441	4.912409587	2.073504771	2.400409817	4.592130633	3.493505703	1.092507731	0.593619577	0.849172603	1.021395719	0.608069086	0.493625714	0.74385395	0.805493434	0.996440327	0.911783903	1.178721605	0.905486452	0.633059103	0.690029779	0.506408743	0.551054155	0.275664731	0.698941855	0.88913563	0.661971462	1.314449191	1.42705452	0.81637398	1.161961483	1.088647713	1	1.327807479	1.110616907	0.879537324	1.430118604	1.20656598	1.148386612
dihydroxyacetone phosphate (DHAP)	0.411008488	0.374536889	0.179985122	0.444864712	0.307428268	0.142451429	0.399013113	0.368742895	1.427528242	1.2935109	1.873160049	1.330778754	2.5046852	1.841975702	2.800549567	3.212077963	2.093209324	1.003338247	1.972683298	1.184396072	1.384071844	2.384303889	1.201295673	0.901404589	0.298861297	0.887295049	1.106332038	0.84662679	1.66746991	2.360786722	0.927289768	1.227065208	0.843833608	1.459872262	0.911810386	0.770369506	1.016548242	1.317721655	0.798744572	0.996661753
homocysteine	0.306493239	0.309617165	0.183335045	0.183335045	0.183335045	0.183335045	0.183335045	0.183335045	2.08164839	1.992365581	2.259987377	1.063870002	1.633220525	1.307090443	1.624842545	2.431399163	1.174734114	0.77373795	1.156537852	0.665292668	0.875722621	1.010524546	0.943406134	0.955241307	0.6173965	1.503411323	3.261408164	1.31425856	2.827642253	1.694399315	0.633999375	1.328696711	0.980716369	0.946315043	0.883052017	1.033231545	0.480535287	0.903442529	0.783218292	0.850634276
sphinganine	1.088315828	1.363563439	1.365271381	2.233050123	1.71047312	0.996566154	1.351241044	1.603125771	0.756682065	0.586253973	0.627456555	0.577319985	1.103037052	0.917064226	1.73474759	1.440453313	0.340503948	0.247790006	0.404613813	0.367715122	1.134861892	1.500466976	0.9863938	1.003433846	0.262840946	0.541041613	0.733823727	0.623539135	1.696548307	2.374768225	1.863480463	1.888928706	0.332913956	0.269423681	0.287065694	0.290518002	0.493941197	0.716016383	0.643074553	0.535720615
flavin adenine dinucleotide (FAD)	0.957800707	0.368379803	0.843078516	0.368379803	1.707981015	0.975118579	1.231660796	0.368379803	0.879122249	0.651843549	0.694781798	0.843459255	0.368379803	0.890054554	1.234870202	0.368379803	1.042870303	0.98592466	0.368379803	0.89671279	0.368379803	0.368379803	1.051649926	1.01407534	0.368379803	1.030021823	1.144875958	0.931338976	0.368379803	0.368379803	0.368379803	0.368379803	1.075341136	1.223224968	1.083909892	0.679742681	0.368379803	1.43038343	1.020627987	0.368379803
fumarate	0.282539547	0.562880881	0.200946719	0.490728905	0.706946404	0.245031897	0.316409361	0.246014777	1.826674949	1.509942564	1.773012446	1.667694468	1.127651812	1.006196299	1.593058411	1.376676644	1.165450943	1.021389818	1.106761623	0.867283751	0.965474898	1.84551549	1.019992249	1.022501366	0.365785469	1.085661117	1.52612051	0.984470748	1.083902037	1.127873966	0.636409157	0.818868697	1.0569923	1.250033856	1.059018087	0.956167637	0.709853873	1.124731958	0.993803701	1.051694793
gamma-glutamylglutamate	2.738184995	1.791478582	0.377398311	3.623157095	2.471449005	0.361102211	3.090813425	2.653628065	0.361102211	1.476375026	0.361102211	0.361102211	0.361102211	0.500931232	0.432328906	1	0.361102211	0.361102211	0.534382392	0.890092311	0.361102211	0.361102211	0.903459976	0.361102211	0.421677434	2.001637289	1.945168039	1.217845995	0.361102211	0.361102211	0.361102211	0.361102211	0.75647354	1.136944437	0.536392969	1.913925366	0.361102211	0.627028592	0.361102211	0.63190262
guanosine 5'-diphospho-fucose	0.455271773	0.455271773	0.455271773	0.455271773	0.455271773	0.455271773	0.455271773	0.455271773	0.977498684	0.951354713	0.455271773	0.455271773	0.455271773	0.455271773	0.455271773	0.455271773	0.455271773	0.864054061	0.455271773	0.455271773	0.455271773	0.455271773	0.455271773	0.455271773	0.455271773	1.602612335	1.680926889	1.619923147	0.455271773	0.455271773	0.455271773	0.455271773	1.456986518	1.366797888	0.762584077	1	0.455271773	0.455271773	0.455271773	0.455271773
glycine	0.970956952	1.233986263	0.641242931	1.334605039	1.39302815	0.694467797	0.901780519	0.98891898	0.655157332	0.52572221	0.602996604	0.480301885	0.776844124	0.640697676	0.935292134	0.997658521	1.058502628	0.894787934	1.243432632	0.864937698	1.002341479	1.417166964	0.915354618	0.917802177	0.286397755	0.850637056	0.973266703	0.775033115	1.354175029	1.674945036	0.846891207	1.09578996	1.022836613	0.98442261	1.015965225	0.970545621	1.037059081	1.512764673	1.250429297	1.38489205
guanidinoacetate	1.971003989	2.043121887	1.786079148	3.136759838	1.79144129	1.093660989	1.682745369	1.821036724	1.083522974	0.774778456	0.757044387	0.682326563	0.521497006	0.305223998	0.606405503	0.68069684	1.281537189	0.629630975	0.892447651	0.487623834	0.369447027	0.367734525	0.292063575	0.31484275	0.811591014	2.572938699	2.987884667	2.296093143	1.747932395	1.595063876	1.064445844	1.346501732	1.028325929	0.711238242	0.704715699	0.55360289	0.333904901	0.359324366	0.384458348	0.446922458
guanosine 5'-diphosphate (GDP)	0.613425539	0.762493936	0.35640676	0.254022494	0.254022494	0.876137478	0.574147391	0.254022494	0.254022494	0.254022494	0.254022494	0.254022494	0.254022494	0.254022494	0.551483633	0.254022494	0.254022494	0.254022494	0.254022494	0.337027054	1.341589972	0.739943637	0.254022494	1	0.254022494	0.254022494	0.254022494	0.254022494	0.254022494	0.254022494	0.254022494	0.254022494	1.049495594	0.254022494	0.452232628	0.274323835	1.220292282	0.254022494	0.984041625	0.254022494
guanosine 5'-monophosphate (5'-GMP)	1.182972598	1.77709144	0.935335089	2.447002811	2.596015157	0.924340323	1.302893478	1.199706047	0.76632598	0.682496417	0.868336575	1.019204821	1.105922514	0.773279678	1.123355399	1.293759105	0.929174068	0.876993969	1.131164522	0.899893559	0.926744388	2.013301789	0.772399209	0.849279978	0.286013212	0.834049199	1.056869274	0.782125186	1.156335343	1.237798359	0.731842248	0.903068818	1.100688811	1.168570233	0.97520458	0.957288274	0.699640997	1.123346531	0.788338918	0.980795179
2'-deoxyguanosine	3.652495437	3.321553889	5.129371637	6.651055181	2.483335374	2.675104811	5.056662784	4.106006684	0.271251148	0.274649191	0.336130257	0.203973343	0.201609101	0.201567617	0.319625615	0.565543492	2.300479759	1.735794216	2.393107814	1.70843011	1.244721313	1.15270519	1.120998174	1.003890313	0.155560999	0.638013269	0.716362336	0.553717687	0.529997956	0.950750967	0.41440451	0.956940642	0.411088118	0.609564344	0.862041193	0.996109687	1.557065378	2.143663498	1.996387451	1.834491477
histidine	2.234299659	1.402800961	1.278919422	2.272445255	1.499419268	1.062036917	1.690979605	2.390853058	0.951416341	0.788365527	0.790976425	0.693640613	0.859956354	0.692089734	1.164203455	1.394319043	0.906451495	0.671844624	1.099835007	0.832921258	0.802461045	1.09576231	0.776257941	0.638997347	0.314641114	0.817528366	1.052450989	0.865158067	0.878721915	0.963693549	0.601246935	0.828405063	0.979730392	1.020269608	0.960082733	1.244613455	0.855301163	0.920837105	0.728803437	0.974663543
hypotaurine	0.839699222	1.198495215	0.837479532	1.513402264	1.627735443	0.735275042	0.89378187	0.70643281	1.776343307	1.403685944	1.585071647	1.462766475	0.727167698	0.60309676	0.874049753	0.926518296	1.651708089	1.3270581	1.798993108	1.313895354	0.701508668	0.915605643	0.625961685	0.663799683	0.782254837	2.031565337	2.544144876	2.061913872	1.393762918	0.972910674	0.627292721	0.885131357	1.911686749	1.701825368	1.850262609	1.735883529	0.535976544	0.662162212	0.606573586	0.744631769
inosine	0.983300564	1.242432933	0.763361692	1.17263486	1.326366393	0.593343876	0.95136479	0.969360236	2.290316424	2.005499845	2.253954812	1.998965717	1.445685178	1.301450564	1.917189295	2.321798834	1.456752571	1.098037554	1.078220284	1.173901245	0.680282951	1.13324791	1.12719224	0.68819295	0.681786852	1.942772602	2.434692954	1.93515125	1.016699436	0.857965268	0.528196578	0.784737232	1.09005735	1.55677513	1.223415696	1.580339009	0.353750157	0.677971214	0.629974449	0.742877141
inosine 5'-monophosphate (IMP)	1.502156069	0.268778126	1.177118732	0.145399941	0.208761442	2.018078683	0.391366117	0.620591632	4.69243052	3.586753395	1.904335861	1.908385978	0.803684361	1.797965482	5.639021616	5.35597065	2.466459978	3.619592139	1.303629483	0.818241935	1.033342706	1.547357667	1.473113676	0.65258502	0.646941122	1.84306686	1.957316712	0.689078791	0.111005271	0.335695001	0.131202936	0.156803305	1.142823277	2.69653615	1.747928592	2.065005629	0.868778289	0.970558629	1	0.962664018
myo-inositol	0.659948179	0.866795606	0.680632602	1.183508988	1.043209372	0.540407866	0.706125233	0.724441945	1.058070114	0.764350187	0.892726855	0.899739444	0.740996324	0.598216472	1.000077274	0.987039081	1.046057112	0.96828148	1.513387287	0.923696066	0.876066998	1.316587038	0.809410834	0.77454761	0.342942861	0.986889737	1.343064617	0.88597725	1.133361208	1.11643227	0.730405864	0.999922726	1.499287849	1.402715355	1.299643614	1.136956107	1.004469835	0.918486785	0.914801082	0.910829232
isoleucine	0.896013615	0.753403938	0.544114947	1.195226814	0.735726224	0.42500933	0.850375792	0.999293632	1.025538816	0.842755828	0.912660492	0.8627943	1.012698502	0.791484832	1.123804443	1.280824126	1.000706368	0.731684956	1.149530912	0.734192953	0.978161696	1.668007432	0.961660155	0.865132802	0.24153907	0.786207107	1.139452119	0.759348042	1.113449238	1.335075645	0.706881632	1.001902969	0.850542146	1.009383167	0.873062572	0.873849558	0.893173777	1.067823931	0.891571917	1.028268253
citrulline	2.139583658	3.293451152	1.513696832	3.272906851	3.404450921	1.613005966	1.736431308	1.914903962	0.843084207	0.645400953	0.672079964	0.647962197	0.837908636	0.597424635	0.932932285	1.008199325	1.059585856	0.676216981	0.993052687	0.638324789	0.733706567	1.268956887	0.690090594	0.917614341	0.211376289	0.723818442	0.913704955	0.564325549	1.006947313	1.068771878	0.717402727	1.051762306	0.659120313	0.557841833	0.767529357	0.545670339	0.893483432	1.17889304	0.767941163	0.779900176
leucine	2.036973696	1.498684112	1.336727121	2.681660839	1.689637352	0.958976352	1.962381014	2.50303684	0.838078711	0.835147987	0.786458316	0.77344488	0.840527765	0.739537062	0.943819314	1.160188059	1.016452356	0.68476991	1.13552563	0.826765143	0.846647249	1.530215578	0.828944046	0.706410471	0.257389074	0.800051641	1.13995854	0.795697588	0.983547644	1.162500863	0.632844425	0.902349166	0.901649534	1.028136215	0.86560539	1.081779729	0.789751604	0.975233887	0.715909123	0.907722976
lysine	3.254799909	3.17619769	2.038221116	4.443092215	3.116354403	1.993111179	2.659246347	3.577449546	0.774489197	0.820701789	0.746803488	0.611228068	0.754701227	0.5832647	0.805323308	1.110863674	1.02883096	0.765235755	1.197456631	0.885209654	0.851601576	1.503922715	0.843837285	0.77456536	0.278341652	0.915836945	1.138259522	0.86409123	0.97116904	1.095930867	0.60139435	0.946975774	0.845750346	0.938668651	0.902493232	1.04336533	0.674828854	0.875367004	0.63330495	0.797951443
malate	0.349513492	0.611927729	0.274477768	0.507124158	0.599968065	0.314118472	0.325722839	0.312072519	1.527164308	1.243181601	1.475251729	1.340103245	1.069375416	0.853821136	1.402850351	1.414465064	1.072934388	0.93412292	1.16774666	0.814272353	1.083440191	1.622085239	1.006962802	1.039141818	0.323998527	0.775550062	1.144107355	0.825791325	1.100733291	1.142362556	0.76497901	0.860082242	0.886046268	0.968277642	0.909983791	0.791287242	0.885963994	1.176010986	1.04240374	1.055636411
methionine	3.17323822	2.091626184	2.268092105	3.620238611	2.403541242	1.60801035	3.150455788	4.220206888	0.98138932	1.123699402	0.973790926	0.838953096	0.84382242	0.804676859	1.014306564	1.270330434	0.999700417	0.635069892	0.942306718	0.970609826	0.727620026	1.047458814	0.706141269	0.652608117	0.374482439	1	1.337081719	1.000165807	0.713588358	0.667607862	0.423814674	0.760226093	1.268264448	1.159450865	1.139615298	1.51173566	0.495871115	0.662065694	0.449839854	0.634223326
methylmalonate (MMA)	0.740186899	1.114362481	0.306255973	1.43762623	0.306255973	0.306255973	0.306255973	0.636573939	1.059724902	0.967024676	1.032975324	1.08499528	0.927244848	0.427428058	1.123638415	1.188933083	0.692474958	0.880006023	0.306255973	0.530911329	1.158912964	0.306255973	0.778442066	0.88946991	0.306255973	0.676958434	1.115615951	0.808584654	1.454560024	0.306255973	1.517626878	1.406422611	0.635777329	0.779005161	1.105207307	0.609491305	1.10699954	1.192870758	0.938110313	0.306255973
nicotinamide	0.904950396	1.263433603	0.753970303	1.37051027	1.502888866	0.742503327	0.886831485	0.854639552	1.186409197	1.024121545	1.168555755	1.133062467	0.699177604	0.598445057	0.791002509	0.927506445	1.40688398	1.220904972	1.591863979	1.159432544	1.136085461	1.618421516	0.923863071	0.967338602	0.256751206	0.706074023	0.956193201	0.708678731	0.882370389	0.861274692	0.532483144	0.691536305	1.211087677	1.29813384	1.192931715	1.114585906	0.746952376	1.054708093	0.799592033	0.948871265
ornithine	0.375500372	0.547041714	0.269922678	0.542034794	0.64360194	0.29592723	0.380828581	0.337410675	0.890796761	0.620587342	0.691112286	0.703466953	1.229813066	0.929285639	1.251897206	1.500775608	1.086881738	0.794041376	1.232927843	0.797970109	1.128150031	1.875153776	0.999984453	0.946916802	0.306383096	1.000015547	1.492405009	0.905880061	1.195826443	1.364718586	0.725757121	1.0304931	0.891466454	1.111609723	0.974670465	0.853855645	1.071567339	1.071756092	0.817374926	0.958946301
orotate	0.003868841	0.002247453	0.005309123	0.008623526	0.003443669	0.001420266	0.003870647	0.004131093	8.70618011	9.010903326	9.231258558	7.939120688	1.745553715	2.399937361	2.846800039	1.661650178	2.161478495	2.559277998	1.836257086	1.607728711	0.904190655	2.757299584	2.519889532	1.53361764	0.227336735	0.949008984	1.070372477	0.775503745	0.065066536	0.025552523	0.030962024	0.038825635	1.820458445	2.254247533	1.050991016	1.883458614	0.164958359	0.305344351	0.265916888	0.329188901
glutathione, oxidized (GSSG)	1.699449404	2.626190359	1.443557135	2.593161023	2.715548617	1.631344918	1.74468771	1.640699701	0.961602172	0.810100525	0.895050105	0.821875631	0.861468551	0.72058498	1.086146048	1.078851638	1.119173999	1.050842078	1.33456491	1.038397828	0.865654965	1.251622951	0.801571395	0.773300499	0.189011462	0.480435063	0.618084998	0.48286527	0.922994881	1.082889569	0.665534518	0.845653541	0.788522006	0.801470893	0.78389795	0.700662947	0.723728433	0.939079676	0.734802841	0.785991825
phenylalanine	3.067532122	2.537085033	1.987121987	4.017266154	2.719914292	1.608615498	3.050469949	3.461392195	0.803471641	0.866824954	0.768455992	0.713051509	0.77745524	0.665220361	0.893257065	1.174186169	1.01707873	0.702873287	1.186887155	0.844325533	0.736670518	1.3759444	0.780535498	0.705067452	0.260185695	0.78310748	1.096752775	0.88485858	0.850270469	1.026427962	0.523175778	0.85103468	0.910375738	0.98292127	0.901164397	1.243583962	0.617385913	0.877365814	0.628906974	0.883270724
phosphate	0.829987916	2.08403922	0.880819054	2.537206317	2.49322592	0.691830861	0.927112416	1.035226405	0.716627808	0.618712767	0.891305962	0.752299814	1.015392804	0.762423537	0.900580262	0.984607196	1.077200487	0.808030595	1.758338927	0.919811963	1.32277476	2.518723533	0.915862429	1.350634516	0.23266875	0.622884943	0.914339832	0.608937309	1.668195033	1.998020582	0.963747075	1.325320166	0.819873604	0.88698861	0.793246143	0.637571228	0.962061406	1.272998838	0.963001347	1.03859639
proline	0.841648067	0.908733265	0.472138226	1.022502828	0.96022437	0.483888236	0.726162808	0.818343018	1.150956926	1.005121614	1.027958619	1.002669033	1.243337978	0.997330967	1.491180231	1.607735344	0.790830911	0.6080141	0.763705734	0.596613909	0.836104152	1.291717649	0.786944966	0.824708058	0.522039953	1.45654681	2.054928275	1.538567786	1.095483382	1.121595038	0.73097142	0.85645948	0.873850059	0.865963154	0.750504541	0.807320856	0.768812918	1.086842712	0.961267385	1.076347475
lactate	0.136631689	0.182024311	0.071326257	0.205414454	0.060679139	0.12483976	0.083718632	0.060679139	1.874449042	1.528088717	1.262725455	1.686221087	0.535748492	0.626624966	1.310855309	0.882878789	0.979725204	1.021631649	1	0.603486364	1.113657336	1.939405303	1.33680812	0.950807754	1.313492141	3.44665421	4.886499818	3.774979481	0.722156161	0.819934944	0.831739793	0.707196022	1.972304014	3.136405067	1.452129773	1.597811383	1.032105938	1.241746	1.623758043	1.365250018
pyridoxamine phosphate	0.660395011	0.835119936	0.443116643	0.642941928	0.866812063	0.565472167	0.643514734	0.717528111	1.317393964	0.964241308	1.142243549	1.036211598	1.184840573	0.695764202	1.209698516	1.437869543	1.135522598	1.072112207	0.897391605	0.805095739	0.891387352	1.696997378	0.959211415	0.921518239	0.349476172	1.012201626	1.082231461	0.772256752	1.446383817	1.344660487	0.862174736	1.538723266	1.211143449	1.205152579	0.987798374	1.236144252	0.757889397	1.509343451	1.142716458	1.090170894
pyridoxine phosphate	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	1.573771194	1.145726015	0.484558158	1.04279082	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.95720918	1.062295854	0.857744318	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972	0.300510972
glutathione, reduced (GSH)	0.424476867	0.676579209	0.447285233	0.819058475	0.951043998	0.299142631	0.420361551	0.420369354	1.240773341	1.053140891	1.224938884	1.174989943	1.045164513	0.818866565	1.256873009	1.469757089	1.242679466	1.10833182	1.399432873	1.066194212	1.027382145	1.314619826	0.77527959	1.042093418	0.329125542	0.888197352	1.178830177	0.972617855	1.155662577	1.146588243	0.576991877	0.754320923	1.386759825	1.29627652	1.38066037	1.311995344	0.667105789	0.963810993	0.781576268	0.932315234
riboflavin (Vitamin B2)	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.777672172	1	1.244368572	0.714583746	0.365978914	0.795860391	1.190224036	1.098724807	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	1.04357725	0.798099319	1.050345337	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914	0.365978914
serine	1.89930857	1.802644107	1.038442898	2.323552378	1.968115062	1.062465248	1.772256231	2.010358251	0.651237658	0.614653542	0.749822462	0.595238179	1.143017968	0.804487085	1.113288954	1.456136112	0.815447518	0.690280219	1.03604315	0.700107916	0.738896657	1.20439293	0.663926618	0.686747126	0.127363378	0.364571923	0.520951613	0.420919337	1.116190683	1.141674683	0.545328923	0.986641444	0.614189227	0.598549827	0.665624793	0.768536345	0.553001286	0.705353273	0.501765851	0.627804369
serotonin	7.36128926	7.995323545	11.80504931	16.52277722	15.0671391	4.262390162	14.70423688	9.050800862	0.386147247	0.445312297	1.304158025	1.164066726	0.892835178	0.507707498	2.733719975	1.910182838	0.534311402	0.646833314	1.571396494	0.755381836	1.019206187	0.980793813	2.281034895	1.926448215	0.047181606	0.215002468	0.586901082	0.567997918	0.44291791	0.047181606	1.876958433	1.580226833	0.227457738	0.20967535	0.584032375	0.479372591	0.240525432	0.047181606	1.12298715	0.955211468
spermine	1.087415035	1.033679405	0.61345584	1.200696988	1.022180613	0.774438527	0.977819387	0.772715117	2.386295778	1.894509611	1.885448565	1.952607247	1.763490792	1.41706171	2.496248079	2.463310685	1.487961471	1.335884276	1.236406614	1.033486427	0.938511544	0.975179958	1.088150529	1.074086263	0.706976705	1.93026677	2.25797345	1.969077849	0.846976218	0.629268622	0.477198151	0.530524406	1.820223481	1.627582549	1.41926543	1.667976933	0.594149364	0.778975405	0.930311436	0.910893631
taurine	2.83039233	3.913692383	2.494451601	3.86195001	4.338807273	2.522946525	2.740591288	2.653062485	1.158676307	0.909687629	1.011301913	0.957240205	0.561971456	0.491329765	0.825955836	0.74715238	1.145064203	1.0183218	1.26945718	1.018913053	0.565314621	0.661351299	0.515452213	0.474792995	0.348209385	0.896735035	1.018818376	0.92385377	0.725484378	0.566881575	0.417828649	0.524585595	0.982645019	0.879119975	0.988698087	0.88831478	0.343745604	0.39675795	0.414566181	0.427113185
uridine	1.310659206	1.608951689	0.752774812	1.569771767	1.768127833	0.730655256	1.17395473	1.285895885	1.592878322	1.540729719	1.695527083	1.311425336	1.280046761	1.105915925	1.351258649	1.784232966	1.3723426	0.926819574	1.319328988	1.094184708	0.659407846	1.379638062	0.974905511	0.70387237	0.384858733	1.029040316	1.424101562	0.890412709	1.330272785	1.279823768	0.662675378	1.025094489	0.954333347	1.178575379	0.940678777	1.029117108	0.431372852	0.869780548	0.517622812	0.756211155
2'-deoxyuridine	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.77461108	0.831228975	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.431319629	0.802705681	1	1.155410825	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.137844054	0.433018694	0.137844054	0.137844054	0.137844054	0.137844054
glutamate	0.734952847	1.016578736	0.571323443	1.087228446	1.08949936	0.581225575	0.701508138	0.68695065	2.034605524	1.686949137	1.879952155	1.830992936	1.338738769	1.087848567	1.491796769	1.746921997	1.373028437	1.184921637	1.524978073	1.146438248	1.080238773	1.613120716	0.885759464	1.031901709	0.247298879	0.702196783	0.816180683	0.626003583	1.201964594	1.197581448	0.627576057	0.882236845	1.0321072	0.996245628	1.003754372	0.937989976	0.656991511	0.850482214	0.656712236	0.768972091
glutamine	0.406161817	0.287027958	0.257342493	0.517348073	0.266729714	0.182945599	0.362121866	0.457192006	1.006404237	0.665893339	1.026597472	0.994274311	0.944409367	0.750960996	1.005725689	1.309665203	2.01519881	1.408486574	2.174624928	1.540179117	1.400798637	2.028919884	1.160651972	1.147330357	0.033337836	0.120091497	0.1639354	0.134654683	0.354812784	0.373566425	0.158281933	0.309052646	1.353855813	1.301141694	1.45788156	1.258462265	0.838086389	0.852855809	0.720929904	0.909192274
threonine	1.992152844	1.868022569	1.169472616	2.504030266	2.182080187	1.240059505	1.793298364	2.343417584	0.987867983	0.875592922	0.939033889	0.809576553	1.008835561	0.832588863	1.050511902	1.33576109	1.119769269	0.830891177	1.162082268	0.847924068	0.89836561	1.42313627	0.81218273	0.806473884	0.216081762	0.638655693	0.819758892	0.658099463	0.991164439	1.141669698	0.568554873	0.876372617	0.880963344	0.980298549	0.925771067	0.980858512	0.7220333	0.953791476	0.702161521	0.854217738
tryptophan	2.174756016	1.96972783	1.363103418	2.84386313	1.910818714	1.144587961	2.107556345	2.265827691	0.841318273	0.839892441	0.848587372	0.70376824	0.905418155	0.706998829	0.929375944	1.252092987	1.11753258	0.783801405	1.169169763	0.784671301	0.786909308	1.433121947	0.867448903	0.751848008	0.257172128	0.74671575	0.989787414	0.770958097	1.010212586	1.087062968	0.589456343	0.908723464	0.820296736	0.838397991	0.799748068	1.015976083	0.667281817	0.900142917	0.677336572	0.855842613
valine	2.180356662	1.586050797	1.65307434	2.910570169	1.47508792	1	2.098052811	2.732018656	0.798221772	0.8320612	0.712108668	0.744838436	0.741920207	0.692437304	0.864337967	1.030748283	1.197410314	0.601571612	0.950386341	0.890998552	0.671234313	1.260190428	0.833282378	0.597688211	0.245293104	0.840008766	1.013807785	0.854240047	0.789508671	1.022043031	0.416742506	0.672329442	0.776756304	1.030818689	0.824557698	1.018302283	0.245293104	0.791439245	0.684910819	0.710825879
nicotinate	1.24327526	1.646635379	0.920970783	1.869487846	2.047007599	0.669058591	1.026810673	1.125736563	0.697541539	0.837271307	1.093976881	0.68525552	0.853025569	0.727780218	0.571770959	2.431036143	1.435725809	0.776182599	1.573515362	1.101121456	1.035244397	1.827452793	1.180347994	0.725751188	0.236236822	0.6904902	0.984030481	0.546857304	1.30303087	0.236236822	0.533030338	1.013731819	0.714803947	0.943413189	0.986268181	1.521913621	0.64540972	1.433539503	0.860463836	1.057037852
pyridoxamine	1.303121178	0.67841705	0.434194089	1.105694643	0.434194089	0.647990501	0.894452329	1.175784649	2.45682802	2.269145512	2.6180725	1.986121829	0.860456834	0.606339137	0.965607427	1.451343626	0.788792975	0.7166627	0.956364125	0.575822885	0.434194089	1.196067388	0.752278548	0.434194089	0.560455633	2.251723212	3.217393676	1.619187152	1.886347064	1.371477968	1.214138133	1.908325369	0.647500803	0.858598702	1.034392573	1.035482212	0.434194089	0.894692542	0.875370341	0.944151531
glucose	0.188140346	0.199902617	0.081641359	0.250983567	0.309495731	0.081641359	0.128535826	0.205992149	1.661644708	0.907072618	1.082381382	1.296760944	0.607302029	0.564717254	0.552043158	1.129993672	1.221017645	0.841783334	2.552231132	0.82679001	1.88961453	4.228991722	2.222242291	1	0.289085635	0.719599954	1.049729648	0.719523679	1.632846982	2.09511613	0.712111078	1.511078175	0.587044638	0.989724673	0.772391242	0.438422579	2.500946033	0.803027556	0.881147447	0.855361659
adenosine	0.807314043	1.302064359	1.027455139	1.733522872	1.547142416	0.928988534	1.368160821	1.312401201	1.752495776	1.208594725	1.644353437	2.550198331	1.534550466	0.973843099	1.947438287	1.335454949	0.877660146	0.834808218	1.336279465	0.916933226	0.651831013	1.20425948	0.796193274	1	0.552019827	1.742073095	2.359893262	2.360724649	1.760314473	1.460452376	1.317623582	1.709025802	1.046144489	0.966284303	0.995086801	1.064460288	0.451726335	0.627128331	0.824449793	0.780800022
betaine	1.80077249	2.94657127	1.234745706	2.917583409	3.067725682	1.629126872	1.958862031	1.772374146	1.246998957	0.987774267	1.132347784	1.101277388	0.79654257	0.654073467	0.860975811	0.939491625	1.205800863	0.792694492	1.074372135	0.766545684	0.749186969	1.153612925	0.648353507	0.659099351	0.248643433	0.672958073	1.012225733	0.643793263	0.943616936	0.841602157	0.519885786	0.687988099	0.614341969	0.618946647	0.585561716	0.543043472	0.49747611	0.56384007	0.487783419	0.510204915
cysteine	0.608601919	0.676087655	0.586929818	0.975032157	0.764588382	0.404408878	0.525751416	0.66578768	1.717419116	1.360375848	1.541203458	1.237528656	1.658129198	1.254755493	1.643568713	2.091566833	1.064831764	0.819963358	1.256790749	0.781107557	1.194632223	1.757058022	1.171746604	1.304720577	0.288886229	0.746734034	1.142171579	0.652391303	1.51989953	1.589160082	0.659959016	1.163374289	0.922531203	1.003182487	0.985048766	0.936946463	0.923961138	1.441461275	1.06790593	1.370828047
mannose	0.455701152	0.455701152	0.455701152	0.455701152	0.455701152	0.455701152	0.455701152	0.455701152	1.088549642	1.338960016	1.153567846	0.970162588	0.455701152	0.502304619	1	1.470105979	0.455701152	0.455701152	0.455701152	0.455701152	0.455701152	1.025829902	0.909825101	0.455701152	0.455701152	1.340881452	1.893310343	1.143951188	0.455701152	0.455701152	0.455701152	0.599613236	0.588774034	0.620029419	0.618883066	0.786728355	0.455701152	1.382050219	0.455701152	0.776066194
dimethylglycine	2.480415065	3.947151788	2.088495869	4.795674459	5.195909802	2.331808652	2.436717918	2.329120647	0.698474202	0.545804046	0.754166433	0.765433549	0.793623589	0.557534497	0.681099011	0.889263213	1.527207468	0.62824838	0.695000183	0.233262989	1.02080702	1.667054713	0.81457144	0.233262989	0.233262989	0.658516577	0.959787336	0.541591015	0.233262989	0.233262989	0.233262989	0.871499483	0.664364224	0.578867804	0.696334771	0.97919298	0.637315024	0.649522231	1.76999703	0.233262989
alanine	0.428211917	0.441362299	0.281802268	0.556168385	0.543465891	0.30482229	0.383533388	0.458953434	1.637189581	1.248788823	1.496997651	1.349961073	1.492427557	1.179062101	1.620799485	1.855180205	1.153271102	0.875742757	1.249586509	0.930192608	1.051203418	1.584402164	0.934355785	0.990089165	0.339970132	0.937381501	1.444247921	0.870942949	1.745507024	1.773118449	1.012211107	1.413519996	1.02042925	1.021317046	1.009910835	0.93604375	0.95029627	1.187501101	0.963308022	1.133906746
tyrosine	2.58044421	2.090245786	1.292504059	3.130179317	2.015321345	1.12737108	2.330253178	2.716634194	0.86016948	0.83458116	0.798620171	0.735789176	0.907087015	0.718240391	0.992877727	1.212515519	0.910884893	0.770448364	1.097768285	0.822889862	0.876576702	1.378313916	0.826167878	0.868425126	0.276930908	0.786498855	1.007122273	0.912640319	1.009682477	1.111187142	0.569189229	0.87538667	0.949189071	0.911532342	0.878267517	1.078111867	0.740678054	0.933834619	0.668863438	0.878121034
pseudouridine	1.918907118	2.346874332	0.992392576	2.896095384	2.401635723	0.997049048	1.792034615	1.684192809	0.963542146	1.27649025	1.339673959	1.002950952	1.105709044	0.86502094	1.092063224	1.501609467	0.636867759	0.346586161	0.80707302	0.699697264	0.490925154	1.498945681	0.75192162	0.488154381	0.39136677	1.353515919	1.778729334	1.254467295	0.981296528	1.288723093	0.649205704	1.038335009	0.564591945	0.748377359	0.553426417	0.660287499	0.346586161	0.756936627	0.621439553	0.735322116
pyruvate	0.042951827	0.078027428	0.042951827	0.068440924	0.042951827	0.051891204	0.048964674	0.042951827	1.374078445	1.071614921	1.109270534	1.170715558	0.721854223	0.641232026	1.003542731	0.870875043	1.700895624	1.593351084	1.730100711	1.326046411	1.205551111	1.881649881	1.061843485	1.372502062	0.395014558	0.996457269	1.387527574	1.028657359	0.572099757	0.581992239	0.369852299	0.385634379	1.357907805	1.229491645	1.08153216	1.106550449	0.67333112	0.954144922	0.986570382	0.867535098
uracil	0.498965507	0.185228005	0.185228005	0.185228005	1.02987174	0.185228005	0.618035091	0.858670407	0.82351421	0.609266432	1.963387795	1.074918011	0.97012826	0.361126914	1.744434353	2.474095503	0.185228005	0.185228005	0.185228005	0.555035373	0.185228005	0.185228005	0.637691041	0.185228005	0.185228005	0.54156254	3.341221702	1.406913836	2.565280565	1.842408821	0.185228005	3.815598494	0.185228005	0.185228005	0.185228005	0.185228005	0.185228005	0.185228005	0.185228005	0.185228005
cytidine	0.9891535	1.262867506	0.466312859	1.174019012	1.309510634	0.492521396	0.847117281	0.898794512	1.812963285	1.784441898	2.325399514	1.749048429	1.828221589	1.627344876	2.185376611	2.612903643	1.23545279	0.818012927	1.295920495	1.171230189	0.56809941	1.442556744	1.173494602	0.647213504	0.494922865	1.292691056	2.263567218	1.279117175	1.853539531	1.576997133	1.009351048	1.553898126	0.990648952	1.212439376	0.923693367	1.058423399	0.307826894	0.811002325	0.432770352	0.624010901
uridine 5'-monophosphate (UMP)	0.791680236	1.614300895	1.008459765	1.40419653	1.674681719	0.941198947	0.733938393	1.017255227	1.112143023	0.652251379	0.943934388	0.959452856	0.991540235	0.769417535	1.201172925	0.983905856	1.240348553	1.180723135	1.78722552	1.076956799	1.298087209	1.752123564	0.891719399	1.266447996	0.195921007	0.352044668	0.557189838	0.427694248	1.376595615	1.316977487	0.760159924	0.955139096	1.042549902	0.91647322	1.158488415	0.732063285	0.821854272	1.130630977	0.943251586	0.91097058
uridine 5'-diphosphate (UDP)	0.28737017	1.09089393	0.28737017	1.556826656	2.323634469	0.654301467	0.629114548	0.721704563	0.28737017	0.28737017	0.28737017	0.28737017	0.446449218	0.28737017	0.808841554	0.28737017	0.575733884	0.830314614	0.28737017	0.372137618	1.7239167	1.24535008	0.539278437	1.281405297	0.28737017	0.28737017	0.28737017	0.28737017	0.803988757	1.561045866	0.700341577	1.186102359	1.176686345	0.682444231	0.874952062	0.390241902	1	0.28737017	0.862280319	0.28737017
thymidine	2.681097996	2.320395404	4.014372655	4.590756584	1.973845853	1.841795747	3.455257997	2.791804552	0.981431759	0.803159878	1.037557714	0.803692378	0.41376914	0.349313872	0.50737583	0.790509421	1.722984704	1.104066624	1.712194005	1.194588187	0.842167466	0.948774622	0.849682043	0.694744529	0.348165749	1.114848981	1.477338174	0.984734702	1.151945299	1.239663449	0.600907033	1.437778773	0.781295935	1.015265298	1.03375289	1.179214281	1.060326999	1.6564691	1.440360027	1.558842006
thiamin (Vitamin B1)	1.546864093	0.718273885	0.318364745	0.318364745	0.404945127	0.543860997	1.015627804	1.122616606	1.430173351	1.967483608	1.787346998	0.914715418	1.061112414	1.256709447	0.922316096	2.209487106	1.296714748	0.663590852	0.891849469	1.380008502	0.318364745	0.521068704	0.984372196	0.318364745	0.686347722	2.597025471	3.614658321	1.370013292	0.434098304	0.440756274	0.318364745	0.655369494	0.798129986	1.083584652	0.844379469	1.761084358	0.318364745	0.318364745	0.318364745	0.603762567
fructose	0.033169169	0.033169169	0.033169169	0.033169169	0.033169169	0.033169169	0.073518605	0.353887537	1.587012391	1.44022196	1.379311094	1.391745571	0.893069133	0.87432668	0.933727648	1.713844131	0.724599757	0.421658529	1.038586286	0.578568692	0.741918169	1.647159741	0.880198849	0.618372065	0.352341416	1.11944385	1.725645643	1	1.086382516	1.031886531	0.803162586	0.907282198	0.481058604	0.735113971	0.47812841	0.398721165	1.045720199	0.577299149	0.601600319	0.629067201
adenine	1.01200556	1.464003397	1.403815482	2.188428271	1.269503962	0.767200061	1.437845642	0.999406538	0.857581108	2.529053817	1.860395306	0.810698586	1.034694712	0.76879	1.121910478	1.33314231	1.092741353	0.790118211	0.878018861	0.669639058	0.853276371	1.118881478	0.647296703	0.750196733	0.206736209	0.809180317	0.978748011	0.689922053	0.951998852	1.450373182	0.80705212	1.000593462	0.512610758	0.652417554	0.547056994	0.492633439	0.748012822	0.993293003	0.810978553	0.947356322
cytosine	1.677574878	1.897371716	1.650655171	1.966910575	2.160015467	1.292343807	1.556651922	1.529475033	0.782115913	0.638694372	0.755279005	0.65437139	1.139844312	0.772388932	1.111117747	1.226867174	0.40198465	0.586484711	0.790846625	0.206446844	1.101899052	0.206446844	0.752658149	0.568555938	0.207192704	0.586156488	1.023645494	0.62183824	1.873764032	1.327809332	1	0.848797761	0.482070419	0.31030494	0.420198979	0.402134196	0.942926881	0.937715073	0.782068826	0.48839496
ribose	0.222305102	0.222305102	0.222305102	0.222305102	0.222305102	0.222305102	0.222305102	0.222305102	0.793317919	1.564779445	1.955007977	1.607452089	0.222305102	0.547069568	0.222305102	0.891679027	0.222305102	0.222305102	0.222305102	0.222305102	0.222305102	0.222305102	0.222305102	0.222305102	0.994772379	2.039989423	3.993640031	1.919236248	0.570642001	0.6656002	0.222305102	1.005227621	0.222305102	0.222305102	0.222305102	0.222305102	0.222305102	0.222305102	0.222305102	0.222305102
asparagine	0.767807133	0.681972619	0.448640035	1.046687564	0.749788145	0.389693108	0.760325859	0.679134131	1.191382472	0.998005259	1.1210313	1.119617482	1.258043261	0.976885387	1.297859145	1.534445359	1.148798637	0.887072976	1.286107438	0.929499712	1.069542579	1.555951366	0.822779013	0.944658639	0.221374869	0.716756256	0.93286592	0.751710485	1.379673118	1.422663098	0.783530143	1.100129769	0.976240531	0.999414346	0.964855095	0.918497797	0.853252768	1.047676559	0.804151636	1.000585654
dihydroorotate	0.031116918	0.031116918	0.031116918	0.031116918	0.031116918	0.031116918	0.031116918	0.031116918	20.20188747	22.89448811	21.16314386	20.68931	0.678023088	1.203810968	2.212654353	0.559719964	2.046453945	3.002342577	2.002586757	1.765668719	1.003879148	2.371743422	1.804219761	1.243076573	0.031116918	0.103191672	0.133713838	0.111355037	0.031116918	0.031116918	0.031116918	0.031116918	0.996120852	0.882175962	0.553939161	0.832366134	0.089625371	0.063224312	0.099321044	0.047900058
pyridoxine (Vitamin B6)	0.171736361	0.171736361	0.171736361	0.171736361	0.171736361	0.171736361	0.171736361	0.171736361	1.584769689	1.153869222	0.987116926	1.241603979	0.171736361	0.171736361	0.171736361	0.171736361	0.171736361	0.171736361	0.171736361	0.171736361	0.171736361	0.171736361	0.464098809	0.171736361	0.171736361	0.761213705	1	0.62132798	0.171736361	0.171736361	0.402862367	0.171736361	0.171736361	0.171736361	0.171736361	0.171736361	0.697503372	0.171736361	0.171736361	0.171736361
trans-4-hydroxyproline	0.100428283	0.148707258	0.1092664	0.189684115	0.192753371	0.08641907	0.113539953	0.118833175	1.390653858	1.050097297	1.333256608	1.193652811	1.317391171	1.087740733	1.353845447	1.624920559	1.229636885	0.914248976	1.412078782	0.98743263	1.228985036	1.715945161	0.9263888	1.091337117	0.274597595	0.764484625	1.137464628	0.725154602	1.737791492	1.793320945	1.028067357	1.395897752	0.985125257	1.01256737	0.98462228	0.854108625	1.029968106	1.275089208	0.920820115	1.161557544
allantoin	1.879808564	2.936465796	1.221843785	3.052451286	2.774277827	1.218617327	1.60846835	1.415474964	1.022401048	0.805335239	1.014990042	0.928976003	0.959274521	0.71545196	1.143129745	1.100446517	0.822401465	0.875898583	1.141904717	0.753475239	0.916216654	1.507032278	0.895318481	0.824271533	0.249340157	0.796916053	0.960091417	0.730567166	1.057710144	0.822769144	0.593110917	0.785641101	0.935388158	0.921849074	0.985009958	0.795056546	0.664304599	0.680392969	0.825080412	0.737627334
galactitol (dulcitol)	1.105908725	1.652752377	0.936932475	1.776011656	1.960408284	1	1.210031896	1.112135878	0.167648377	0.299787553	0.283740645	0.167648377	0.296228967	0.167648377	0.392057096	0.167648377	0.167648377	0.474082346	0.530185175	0.167648377	0.167648377	0.167648377	0.321517848	0.319355911	0.167648377	0.167648377	0.167648377	0.167648377	0.167648377	0.167648377	0.167648377	0.167648377	0.167648377	0.167648377	0.167648377	0.167648377	0.167648377	0.167648377	0.167648377	0.167648377
xanthine	3.93487426	3.255500151	1.821630682	4.007319541	3.308822055	1.650416937	3.664528799	3.700883571	0.551626323	0.596694763	1.140395723	0.797212028	0.661076061	0.537367291	1.189181136	1.6500325	0.673869182	0.364497379	1.067456418	0.933286816	0.420021314	0.834843691	1.08384625	0.685596605	0.16596349	0.531154699	1.178112651	0.800047604	0.792882561	0.971159924	0.913369537	1.517443057	0.385921442	0.478416678	0.716620632	0.936991325	0.409398392	0.624294846	0.741125866	1.203439074
5-oxoproline	0.203896359	0.290089129	0.170344867	0.282993666	0.337198498	0.153868263	0.198336675	0.196319711	1.500369882	1.115996484	1.214649917	1.100637111	0.855850878	0.723803549	1.181971835	1.175004003	1.016136009	0.874400994	1.044775008	0.737159067	0.904613197	1.415681933	0.924175074	0.87747423	0.353238038	0.998338774	1.315596119	0.96848312	1.019990705	1.001661226	0.660338204	0.838348113	1.280197646	1.3832918	1.149057338	1.061124271	1.260880688	1.24882968	1.084817764	1.10039664
pantothenate	0.893046071	1.357802257	0.647569289	1.455763233	1.713291038	0.829288564	0.932201051	0.884978625	1.206578883	0.9781804	1.190873398	1.117888676	1.602073206	1.111515538	1.674410051	1.617441397	1.044721356	1.144464912	1.404314855	1.00166876	1.552313743	2.025937412	1.401564616	1.326549013	0.107642646	0.280988244	0.471502583	0.292557979	0.969090927	0.884243386	0.440071907	0.648422515	0.654933748	0.656258586	0.682833997	0.618115247	0.918942238	1.213851149	1.038945305	0.99833124
pipecolate	1.398606544	3.084663475	0.668860412	1.973014477	2.372664862	1.066382661	1.162902241	1.123877551	0.686016523	0.32664889	0.586658189	0.201637411	0.713808576	0.152450364	0.87340281	0.572786944	0.895703649	0.502972386	1.284515751	0.152450364	0.748377643	0.152450364	0.176610601	0.152450364	0.152450364	0.278901895	0.371665947	0.295878735	0.152450364	0.152450364	0.152450364	0.933617339	0.152450364	0.152450364	0.152450364	0.168007448	0.152450364	0.152450364	0.152450364	0.152450364
phosphoethanolamine	3.54049966	5.150220035	2.932167367	4.783654289	5.743558769	3.433925864	3.393870064	3.482748664	0.389371993	0.267690567	0.413010047	0.401243057	0.744947047	0.688992959	1.026086571	0.8823715	1.142747904	1.060627999	1.521047174	1.004868361	1.196120579	1.563113002	0.993036511	0.995131639	0.009297977	0.019829102	0.016349137	0.021302882	0.222140913	0.376556695	0.232273721	0.22829088	0.195099531	0.198650187	0.275299534	0.190147504	0.228733119	0.28890402	0.276459613	0.232339476
gamma-glutamylcysteine	0.062494589	0.062494589	0.257876176	0.260854091	0.062494589	0.062494589	0.105466673	0.102338476	2.121284548	1.072921674	2.180437891	3.149606246	1.226878301	0.752886231	1.471416434	1.195797519	0.533289481	0.744661283	1.254850957	0.672890299	1.048722369	0.916060242	0.495490255	1.244284326	0.24727894	0.509540759	1.072103401	0.980527325	1.454237465	0.992479182	0.611814804	0.824898113	1.160285815	0.722812375	1.664294657	1.527607743	1.02741608	0.836049499	1.007520818	1.066154333
glycerate	5.508191156	8.422070758	4.203488721	8.895930966	11.80479853	4.911604484	6.071496352	6.115643766	0.654663977	0.747107921	0.648056993	0.696110213	1.038164846	1.380677792	1.702658532	1.633096313	0.961835154	0.615719379	0.87922904	0.864193529	1.418694557	2.021071484	1.311523429	0.816726111	0.0982896	0.262972609	0.295056643	0.304706658	0.461476367	0.74705627	0.338162743	0.473111726	0.287624137	0.38997177	0.217620521	0.27632701	0.543641495	0.706523938	0.745410127	0.724052513
3-ureidopropionate	1.807213916	1.167395875	1.199618535	2.452046105	2.642923361	1	1.174453582	0.974813603	0.113523317	0.138088664	0.052703425	0.052703425	0.052703425	0.052703425	0.052703425	0.052703425	0.052703425	0.150092189	0.199108751	0.052703425	0.052703425	0.052703425	0.052703425	0.135754051	0.052703425	0.111672862	0.052703425	0.129071367	0.052703425	0.052703425	0.052703425	0.052703425	0.052703425	0.052703425	0.052703425	0.067427623	0.052703425	0.18140335	0.052703425	0.052703425
N-acetylmethionine	2.685403108	3.270301087	3.003181813	6.008984811	3.983694236	2.21074583	3.431715918	3.903029089	0.986569834	0.875284329	0.815999107	0.923968521	0.638705126	0.567255881	0.894683929	1.075576155	0.811018324	1.106356226	1.306964392	0.882140384	0.704018728	1.075497231	0.682637829	1.013430166	0.465100384	1.136505443	1.495606388	1.720323471	0.922651008	0.655502304	0.467153491	0.790584034	1.691090353	1.266340037	1.585443585	1.658304435	0.389642863	0.612574235	0.556730481	0.644375046
UDP-glucose	0.611294659	0.968614165	0.628861195	0.364008156	0.889934788	0.519020259	0.487112078	0.716637369	1.922171354	1.39550443	1.700458589	1.611266029	1.917406765	1.677397583	2.993902244	2.615826718	1.001791146	1.105212949	1.229895734	0.786421217	0.840860514	0.998208854	0.736735086	1.093753146	0.364008156	0.627978653	1.030173042	0.827590404	1.604216007	0.364008156	0.813707945	0.939586174	1.954554386	1.320333981	1.489716349	1.543163588	0.738829845	0.771471481	0.953351669	0.882117528
UDP-glucuronate	0.71440124	0.922089946	0.727416217	1.041959823	0.942774071	0.719194376	0.636184936	0.794840749	1.081184345	0.837931406	1.007603801	0.84411155	1.911241717	1.920072827	2.021705611	2.290000345	0.881661115	0.859009879	1.186747277	0.750151416	1.38274151	1.791521006	1.073610479	1.42211739	0.279742372	0.714926555	0.819681906	0.791945826	3.102808572	5.041289295	2.350583941	3.063375624	0.992396199	0.886851518	0.797106874	0.919873484	1.707950117	3.006013823	2.25784742	2.202393336
guanosine	1.249038531	1.943610454	0.932400229	2.244448077	2.087310107	0.881699923	1.315712925	1.454492646	1.781374497	1.669035081	1.925202541	1.652693819	1.252631753	1.082280863	1.572200312	1.889869145	1.018998856	0.74630683	1.038350917	0.981001144	0.632258686	1.270954217	0.929710404	0.635981854	0.63086061	1.819469115	2.366904986	1.775149717	1.164849367	1.216591346	0.705375868	1.106848889	0.76663483	1.066436812	0.878702724	1.118114541	0.414732977	0.776921288	0.582497241	0.774393119
alpha-tocopherol	0.922829767	1.503718516	1.134235682	1.811828499	1.810271322	0.961614634	1.192050324	1.068110304	0.573031867	0.570578594	0.929785351	0.511627204	0.847440427	0.644066162	0.910391216	1.022556144	0.815845772	0.855094327	1.265881312	0.686761207	1.396536346	1.452491358	0.764952925	0.977443856	0.192207589	0.570992621	0.700397356	0.434656921	1.194514639	1.200564368	0.796271759	0.88304748	0.66337546	0.672720692	0.583144623	0.541192744	0.813855114	1.404676327	1.103322169	1.21338425
N-acetylcysteine	0.371372672	0.371372672	0.371372672	0.371372672	0.371372672	0.371372672	0.371372672	0.371372672	1.37258917	1.057941754	0.994896967	0.55781722	1.111616443	0.504740466	1.133555586	1.914361524	0.371372672	0.371372672	0.371372672	0.371372672	0.371372672	0.371372672	1.01496149	0.371372672	0.371372672	0.562191562	1.603875035	0.592154105	1.514518744	0.371372672	0.371372672	1.95517015	0.832975455	0.371372672	0.685214744	0.635237645	0.672023219	1.005103033	0.920959975	1.458513724
N-carbamoylaspartate	0.033818252	0.033818252	0.033818252	0.033818252	0.033818252	0.033818252	0.033818252	0.033818252	35.1529129	28.19999067	26.02331926	43.36203244	0.837933542	1.080658088	1.191428542	0.412934097	1.65102369	3.669866475	3.143553347	1.145617255	2.401619845	2.062436871	1.724219409	0.657528938	0.033818252	0.090926131	0.127834975	0.1399741	0.033818252	0.033818252	0.033818252	0.033818252	0.428218842	1.192168654	0.688560202	0.919341912	0.060605534	0.053216442	0.136417245	0.063197533
N-acetylalanine	1.581104041	1.404204286	0.913364412	2.238886783	1.485241745	0.804089308	1.481693023	1.493403546	1.531354755	1.493881176	1.364044143	1.284097262	0.653759807	0.608374669	0.813928649	1.035400621	0.875768649	0.958228371	0.994601826	0.787126505	0.629024238	0.903719419	0.616870059	0.712635601	0.536880192	1.363207284	2.108351319	1.739826198	1.176719287	1.005398174	0.530701237	0.94186176	1.349308186	1.141039822	1.160767174	1.506172558	0.607585317	0.73972535	0.67681594	0.845740751
4-acetamidobutanoate	0.136945927	0.799929479	0.506272775	1.352255836	1.167533661	0.608967423	0.783875943	0.543900061	1.084691991	0.875969674	0.90861762	1.02831368	0.791285499	0.614498018	1.039042984	0.921136996	1.183784543	0.855480863	1.312610686	0.981914746	1.100414201	1.81179666	0.892321022	0.937456813	0.258450451	0.940850501	1.042784121	0.853803037	0.998774286	1.094156505	1.019416359	0.903849445	0.878378687	1.001225714	0.865731686	0.611106126	1.222277512	1.005633337	0.934284979	0.545937437
citrate	1.190884605	1.759567655	0.896624791	1.725052927	1.934888763	0.985533934	1.07227504	1.146661852	1.552031473	1.188296392	1.329021776	1.201439245	1.168095047	1.014466066	1.546667057	1.2891198	1.108500595	0.943691876	1.084068661	0.945895277	0.845935029	1.30510691	0.739396752	0.860617105	0.418126994	1.038341302	1.322101366	1.06587609	1.182858342	1.164834838	0.786798215	0.971382109	1.17613801	1.024411064	0.936975943	0.822573979	0.525815673	0.71145673	0.562998583	0.546731624
4-hydroxyphenylpyruvate	1.376682772	1.4062309	0.215144846	0.99153619	1.378636625	0.215144846	0.958722495	1.392400065	0.949705481	0.95287318	0.423435348	0.448757989	1.007465968	0.715795386	1.145575269	1.056657733	1.165841871	0.822222681	0.215144846	0.856074818	0.215144846	0.215144846	0.932640167	0.215144846	0.215144846	0.763916079	0.997363364	0.568635687	0.832245797	1.310285472	0.215144846	0.805652727	1.190418102	1.398941657	1.130433514	1.151792599	0.215144846	2.196888698	1.011641208	1.002636636
N-acetylneuraminate	0.451748628	0.386854646	0.635556845	0.86452553	0.559833171	0.301168572	0.493955729	0.470265561	4.292707082	3.381862868	3.826687491	3.329580025	0.757162294	0.802612542	1.409644816	1.335627105	1.078486468	1.104590911	0.837754046	0.744826386	0.676592901	0.88089749	0.446273819	0.740946949	0.791681481	2.022157707	2.918252309	1.882325922	1.929471738	1.027381988	0.972618012	1.348255677	1.22417591	1.291080155	0.915962352	0.856898939	0.880554933	0.401350534	0.323078714	0.534553816
acetylphosphate	2.152320319	1.642022477	1.210163275	0.095631422	0.982268833	1.314683416	1.567400281	1.975717398	0.399709838	0.183944056	0.45206322	0.30906005	1.080091614	0.645351822	1.432473523	1.423706521	1.235508054	1.009807143	1.565027401	0.847754417	0.694374577	1.172920022	0.990192857	1.106932368	0.095631422	0.095631422	0.095631422	0.137609077	1.216528438	1.215311831	0.679231036	1.045631594	1.178824335	0.887015409	0.856800597	0.859220129	0.648089539	0.906505298	0.840008222	0.952125107
N-acetylglucosaminylasparagine	1.598158441	2.217548506	1.03569704	2.158855847	2.521224556	1.248260763	1.325578699	1.380224046	0.879642654	0.663433246	0.815334265	0.76806995	0.873797143	0.789853731	1.183242047	1.189161153	1.024690458	0.898388379	1.059073628	0.755030873	0.765308685	1.204631827	0.832877805	0.859232042	0.386874226	0.982733424	1.403106413	0.991448984	0.965464342	1.008551016	0.589696027	0.751384143	1.021346242	0.898149051	0.869712836	0.843121212	0.461472187	0.71209917	0.675488078	0.707654169
cytidine 5'-diphosphocholine	2.10338823	1.536540805	0.062636189	0.49861396	1.891075886	0.830442977	1.655452292	1.395928082	1	1.726491556	1.514889347	0.583467774	0.406250055	0.508593391	0.636020356	0.956445315	1.143385032	0.062636189	0.207278669	0.062636189	0.062636189	0.062636189	0.062636189	0.062636189	0.21870727	1.261519184	1.214249064	0.354248802	0.295957648	0.257432014	0.113084476	0.155817401	0.161953911	1.178342767	0.166288511	0.079805637	0.062636189	0.106542908	0.159562914	0.236347106
creatine	2.47192721	3.417846353	1.957714952	3.70445368	3.945587497	1.884105384	2.344833554	2.180573693	0.862648763	0.669542265	0.74390585	0.707686418	0.605836203	0.520647856	0.795365461	0.789531927	1.060248212	0.849282291	1.202713511	0.819292434	0.709569034	1.025216887	0.663387016	0.594057514	0.515411474	1.394069959	1.790472416	1.350968465	0.718661496	0.7225878	0.516805022	0.645538516	1.067939477	0.963203586	0.974783113	0.926085058	0.442803612	0.49850199	0.491246876	0.518511265
N1-methyladenosine	2.937642932	4.014872472	0.959952189	3.385830742	1.776844058	2.353267427	2.167153237	2.629720843	0.903475486	0.959894871	1	0.412611351	1.261579276	0.909973998	1.643878721	1.616965761	0.331968888	0.331968888	0.331968888	0.331968888	0.331968888	0.331968888	0.940418537	0.831615933	0.5050602	1.263330968	2.187318929	1.045003547	0.803181435	0.331968888	0.331968888	0.331968888	0.878807057	0.494968623	0.656088273	0.760274369	0.331968888	0.331968888	0.688170596	0.331968888
thymidine 5'-monophosphate	0.959873642	0.242943473	0.242943473	0.242943473	0.242943473	0.242943473	0.587916809	0.242943473	0.502133696	0.309832083	0.454811955	0.570625367	0.700934705	0.717942868	1.277893426	2.097653775	1.967213255	1.57004097	0.926450353	0.742152948	0.52773942	0.242943473	0.894285036	0.684842214	0.242943473	0.987196574	1.094159941	0.867490007	1.34736118	1.604148035	1.018357688	1.012803426	1.713373562	1.122245175	1.651756832	1.255415976	0.652065621	0.242943473	1.198665165	1.258277738
choline	1.169748031	1.418451664	0.801868789	1.40164319	1.575245557	0.724983893	1.020483154	0.958949766	2.030276343	1.648224984	2.092637403	1.609192173	0.930773139	0.795473502	1.195568272	1.333476438	0.792145053	0.572432867	0.724453392	0.636423794	0.419082212	0.759492634	0.510152411	0.39297012	0.374192192	1.063893041	1.318046877	0.857408887	1.069210858	1.058693543	0.692833195	0.895592634	0.974184842	1.131277145	1.055002681	0.979516846	0.597613963	0.721067879	0.60690811	0.693981568
S-adenosylmethionine (SAM)	0.444048466	0.596004483	0.314120332	0.608274566	0.768045435	0.358384782	0.424367876	0.417050982	1.682984033	1.291762101	1.502315938	1.519238028	2.276621703	1.579916249	2.423017677	2.846584181	1.068085909	1.081751317	1.112750419	0.849125585	0.963528964	1.403040026	0.863429676	1.007384079	0.384938799	1.276441623	1.382382275	1.134180041	1.029400958	0.992615921	0.724338478	0.884957683	0.785188146	0.794381824	0.803890561	0.743633377	0.412916985	0.559383057	0.483116007	0.528904003
adenylosuccinate	0.671459537	0.140505777	0.478899764	0.140505777	0.140505777	1.521416441	0.660837187	0.522269258	1.031482466	0.519038578	0.664540195	0.977303527	0.95240064	0.881257762	1.299323997	1.796807352	1.28048854	1.217742917	0.140505777	1.336167787	0.140505777	0.140505777	0.924007848	0.673397242	0.140505777	0.140505777	0.140505777	0.252260838	0.140505777	0.140505777	0.140505777	0.140505777	1.375864585	1.078805048	1.306114909	1.022696473	0.743730914	1.540143435	1.260676003	1.846160484
S-lactoylglutathione	0.195499975	0.265302488	0.126287212	0.222582404	0.117781108	0.123188984	0.117781108	0.17433547	1.399533566	1.277652845	1.538135505	1.653864607	2.126539888	1.808533494	2.620682401	2.748318009	1.593541428	1.023904262	1.736928983	1.136564791	1.455524948	1.577050027	1.335613576	0.92544641	0.317387702	1.054943187	1.645943278	1.102878096	1.407271163	1.306625736	0.575110565	0.907597835	0.976095738	1.595196248	0.86728927	0.828706417	0.915313714	0.931393844	0.828436288	0.682789995
N-palmitoyl-sphingosine (d18:1/16:0)	0.658058802	1.072429953	0.500642033	1.435498207	1.22892375	0.415046736	1.000967614	0.784189364	0.854756678	0.850307623	0.974277564	0.682527043	2.480302565	1.950603123	2.554828021	2.727199762	0.973268234	0.65666235	1.118788874	0.822568724	1.490508215	2.278029836	1.48366676	1.632189983	0.445541962	1.222200277	1.466356341	1.049459434	6.282901722	7.249153989	5.504535862	6.983796763	0.999032386	1.140250478	0.855089481	0.891196724	1.842651588	2.931167654	2.689360634	2.603022468
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	0.239874857	0.383168411	0.222446498	0.446676753	0.469908094	0.257969445	0.365536265	0.291270792	1.321184345	1.051193113	1.160183328	0.969987913	0.977452619	0.764274802	1.128618221	1.092026231	1.158324642	1.022547381	1.263856185	0.938009106	0.971769683	1.310454213	0.752634217	1.051095274	0.489935865	1.38613964	1.721205585	1.208404468	2.087888158	2.07125098	1.3059132	1.738359614	1.82826982	1.978755834	1.471044015	1.613954912	1.225738816	1.813835511	1.541524531	1.7260824
1-palmitoyl-2-oleoyl-GPS (16:0/18:1)	0.468134579	0.773168683	0.426799948	0.859116805	0.806285008	0.492857974	0.649640472	0.602689079	2.080170303	1.699787993	1.796161221	1.531138073	0.77285395	0.644750494	1.009714566	0.786528585	1.734807986	1.418501078	1.638429273	1.318159541	0.925538658	1.148355751	0.611446719	0.911505502	1.503608982	3.86497338	5.437172643	3.164475927	2.469770111	2.053188342	1.314189457	1.950095611	4.145893723	4.188549394	3.019614895	3.235799705	0.919725251	1.237455333	0.990285434	1.030372987
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	1.188176999	1.829286123	1.222681726	2.506925277	1.920885795	1.207015422	1.568931899	1.406864027	0.841001933	0.725757967	0.916560575	0.705357632	0.684838617	0.617055749	0.980882557	0.955852641	0.968824749	0.824651835	1.170551596	0.84467457	0.865047516	1.295106111	0.783784471	1.108966908	0.27610146	0.674801637	0.964803905	0.648770794	1.312585713	1.403319037	0.99398497	1.29926572	0.917811546	0.993300944	0.83525638	0.816409863	0.853099066	1.301733752	1.128476358	1.216040882
stearoyl sphingomyelin (d18:1/18:0)	0.965689143	1.39192251	1	1.982363603	1.58305298	0.782815978	1.179000945	0.993922058	0.880297014	0.707302143	0.840021649	0.746028786	0.702316508	0.593094797	1.039309448	0.879382745	1.200946361	1.111103025	1.554229827	1.116389738	1.020172257	1.383003287	0.909450757	1.147849955	0.207035549	0.569822101	0.585967899	0.554090018	0.890810736	1.018255406	0.874976394	0.998703938	1.154802404	1.152553127	1.043417158	1.075600613	0.739082616	1.066993879	1.025401639	1.032046226
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	0.426028145	0.675879577	0.433425508	0.859693887	0.770339977	0.427328121	0.612343755	0.482614231	1.295032385	1.018039619	1.238056088	1.022283129	0.792604069	0.687701165	0.981960381	0.964873171	1.318368785	1.087130701	1.463479173	1.065770501	0.943158023	1.26135977	0.711163786	1.040588242	0.67668141	1.721156322	2.189633641	1.621913663	2.11554326	2.0647355	1.305051361	1.756849195	1.843122521	1.951833778	1.549774323	1.578077986	1.313317611	1.876320463	1.564669492	1.770973022
N-stearoyl-sphingosine (d18:1/18:0)*	1.116316648	1.783177985	0.765054791	2.157174468	1.659832003	0.644906117	1.387749737	1.110885069	0.612512663	0.630116995	0.654681312	0.486031986	1.315848932	0.913284195	1.452465179	1.456141993	0.798315494	0.563765967	0.798949415	0.661784326	0.705764556	0.977871295	0.796658965	1.022128705	0.354762371	0.931670673	1.038288242	0.835424266	4.622054812	5.609145999	4.824105699	5.717158265	0.870823859	1.061831481	0.693248048	0.846986878	1.789861802	2.820934809	2.584396119	2.603295056
carnitine	2.063865254	2.980253862	1.160888739	2.356131576	3.739726906	2.420680045	2.467310997	2.297157365	0.713396098	0.683724163	0.709782997	0.67149897	0.747336121	0.765379312	1.067215613	1.029583459	1.366394729	1.073225568	1.417414683	1.083706863	0.970416541	1.516188051	0.927107657	0.85316683	0.126158055	0.39411932	0.411684583	0.376836339	0.280509407	0.365937424	0.205732869	0.214770817	0.561231504	0.575504167	0.509548343	0.481069373	0.263769763	0.385379884	0.367299263	0.323205164
benzoate	0.753724338	1.164398127	1.028414851	1.471003595	1.114076253	0.574366757	0.646938299	0.766766071	0.647999711	0.372107322	0.728104666	0.467481583	0.822869936	0.582176692	0.866194038	0.971585149	0.675893648	0.772320855	1.265135097	0.655279785	1.687793355	1.254206256	0.89650278	1.091220914	0.146781912	0.471460844	0.52673325	0.37949631	1.441285967	1.371554978	1.044309127	1.089382878	0.772323179	0.592657292	0.757030776	0.409898376	1.14475443	1.380203777	1.401160756	1.306072562
hippurate	0.240844479	0.240844479	0.548373095	0.240844479	0.240844479	0.240844479	0.240844479	0.240844479	0.785322763	0.5455039	0.712941858	0.608993213	0.752962978	0.240844479	0.575438903	1.063036872	1.091145377	0.897474752	1.481331328	1.010021803	0.989978197	2.189049415	1.019191452	0.240844479	0.240844479	0.864793369	1.100755163	0.682496892	1.156505882	1.438111238	0.640228825	1.161348767	0.528413292	1.044395347	0.80012421	0.754405282	1.888597079	0.240844479	0.703566569	0.240844479
methionine sulfoxide	1.093135581	1.187651571	0.727763961	1.135126509	1.006721052	0.679904341	0.84820502	1.25141424	1.120023169	0.856783074	1.02161194	0.809055736	1.001932981	0.688303535	1.132006821	1.246160672	0.991335331	0.803429651	1.269232285	0.641263134	0.880214963	1.330140583	0.868061404	0.840424036	0.298388067	0.721754678	1.341334186	0.730837332	1.133248072	1.297018622	0.624222481	0.998067019	0.700690875	0.791504601	0.822596558	0.747490752	0.739871588	0.871634342	0.922715153	0.874431851
4-guanidinobutanoate	0.357462484	0.357462484	0.357462484	0.357462484	0.357462484	0.357462484	0.357462484	0.357462484	1.071255551	1.115393748	0.357462484	1.19792107	0.377559329	0.357462484	0.590661442	0.833500489	0.713485524	1	0.525848262	0.514089726	0.357462484	1.313480088	0.57011102	0.357462484	0.824727785	2.24357935	2.918153046	2.342239657	0.357462484	0.357462484	0.357462484	0.357462484	1.349825858	1.461996062	1.058934246	1.357301042	0.778916169	0.357462484	0.492658812	0.357462484
2'-deoxycytidine	1.782063929	0.932452505	1.180863031	2.658642548	0.84875126	0.881321391	1.153038789	0.821343616	1.96702289	2.148380858	2.244061678	1.626928079	0.818360422	0.717281434	1.010977249	1.548050108	0.658027001	0.379768787	0.392856759	0.475919012	0.134274849	0.304422695	0.407182121	0.199039409	0.781245638	2.241691651	3.446239161	1.952935711	1.658791826	1.356030472	0.983492777	1.547925483	1.048689785	1.484664889	1.065525241	1.452167595	0.280787079	0.439366372	0.351156372	0.575600557
2'-deoxyinosine	3.787117252	3.120153621	5.967669082	6.315786729	2.406724182	2.602346665	5.239633589	4.055157302	0.395648289	0.416179892	0.509781525	0.332519849	0.2171676	0.239101354	0.388978339	0.73193556	2.176443926	1.336981889	1.833184875	1.342575449	0.878481797	0.951817939	1.097193155	0.723473235	0.245950964	1.020627289	1.142275317	0.861158325	0.527421989	0.863467765	0.359200703	0.993164726	0.372581798	0.560508852	0.738178136	1.009663424	1.006835274	1.736276507	1.735392425	1.717329634
3'-dephosphocoenzyme A	0.454075169	0.656839531	0.524309857	0.969562134	0.454075169	0.454075169	0.503032426	0.537149316	5.254775002	3.978721002	3.960337237	4.34031005	1.455054539	1.196774194	2.00508749	1.776693741	1.182867508	0.866713086	0.99391824	0.685360719	0.723724909	0.454075169	0.637051691	0.646505685	0.808805949	2.437310112	2.78469289	2.753387659	1.192051206	0.454075169	0.502864276	0.789883711	1.00608176	1.335540845	0.981715886	1.3349686	0.454075169	0.454075169	0.454075169	0.454075169
glucuronate	1.078824539	1.710857707	0.826283383	1.822293396	1.790077041	0.845344838	1.003214364	1.098231853	1.107079504	0.90925774	0.888589042	0.996785636	0.261451868	0.242541591	0.363894644	0.283146584	1.676201094	1.348523555	1.70387334	1.285467679	0.561089416	0.6966163	0.442327806	0.472413014	0.30687755	0.685744824	0.945803283	0.706604402	0.394043259	0.211822842	0.211822842	0.211822842	2.058294349	1.877518687	1.755909385	1.517306637	0.23363971	0.211822842	0.284025765	0.303217605
glycerol 3-phosphate	0.522650595	0.758846777	0.2738845	0.570504156	0.72111029	0.251906049	0.385286872	0.476422612	1.321088401	0.774236803	1.701892216	1.390805437	0.89155993	0.715393729	0.915773181	0.942298171	2.121429431	1.813954219	4.519423475	1.823553199	2.961424639	2.80482254	0.672976323	1.579316695	0.418912261	1.025700305	1.751722485	0.974299695	0.579019488	0.855667097	0.53984718	0.380430205	2.401375549	1.971745532	2.777341856	1.403505812	1.628504497	0.827357021	1.775172535	0.759879477
imidazole lactate	0.446598075	0.446598075	0.446598075	0.446598075	0.446598075	0.446598075	0.446598075	0.446598075	0.751456405	0.721395434	0.446598075	0.803296959	0.446598075	0.446598075	0.446598075	0.446598075	1.277050622	0.446598075	1.024878517	0.446598075	0.446598075	0.700650563	0.446598075	0.446598075	0.446598075	1.528323138	1.875568127	1.271875117	0.446598075	0.446598075	0.446598075	0.446598075	1.142823892	0.908920097	0.886755092	1.062581715	0.446598075	0.446598075	1	0.446598075
glycerophosphorylcholine (GPC)	1.173154971	1.844520576	0.922924044	1.942941492	2.216592788	0.852420462	0.975319793	1.065070407	0.717973257	0.523935955	0.776373862	0.665344581	0.824119833	0.650300545	0.939465146	1.028635529	0.693103849	0.494769658	1.014018326	0.740563178	0.873306141	1.541469844	0.705594172	0.844854738	0.181236976	0.537366097	0.675584681	0.492797545	1.368900912	1.850830006	0.985981674	1.281996853	0.66770148	0.747954865	0.625003512	0.676669651	1.156938614	1.847890169	1.303154161	1.569977386
N-acetylglutamate	0.492146241	0.46164173	0.379790109	0.598481965	0.274615312	0.274615312	0.360093917	0.274615312	2.266925947	1.626315129	1.968316161	1.615524012	1.031217351	0.756774261	1.338784806	1.19225604	1.146230429	0.931272437	1.474247535	0.9369583	0.722376834	1.134192642	0.900732903	0.898760548	0.850353465	2.157409338	3.230629487	2.093440439	1.443551926	0.951061826	0.695360787	1.183351669	1.553892364	1.459923784	1.474610749	1.4116608	0.595694202	0.713014829	0.822958015	0.794473361
UDP-galactose	0.265002225	0.265002225	0.265002225	0.265002225	0.265002225	0.265002225	0.265002225	0.265002225	1.490900751	1.109592927	1.255173895	1.159392763	1.463832851	1.263094596	2.449504548	2.122859391	0.65702283	1.023348395	0.265002225	0.564365271	0.728720713	0.265002225	0.265002225	1	0.265002225	0.403880198	0.705747527	0.486983416	0.752242497	0.265002225	0.265002225	0.431586256	1.45365136	0.995108859	1.006415402	1.374039837	0.265002225	0.265002225	0.64609313	0.56117152
xanthosine	1.244659118	1.943766712	0.20424411	1.134570097	2.448325893	0.871107501	1	1.053244704	1.919901272	2.081941163	2.247889011	1.694987216	0.453702736	0.495429385	0.69358527	0.76509617	1.676735233	1.168717503	1.900296354	1.439058197	1.046029393	1.639538884	1.15496501	1.007589309	0.20424411	0.482100513	0.727900971	0.426745921	0.472468394	0.524076865	0.20424411	0.20424411	0.749472918	0.860384703	0.818552975	1.168997737	0.513246806	0.813556337	0.586979166	0.772451247
phosphopantetheine	0.169758386	0.169758386	0.169758386	0.169758386	0.169758386	0.169758386	0.169758386	0.169758386	0.828724258	1.650910932	1.206040963	0.517244821	0.806835759	0.977015746	0.169758386	1.507959489	0.169758386	0.169758386	0.169758386	0.169758386	0.169758386	2.985760832	1.44533194	0.169758386	0.169758386	0.999277201	1.243974063	0.641009386	0.169758386	0.169758386	0.169758386	0.169758386	0.524863254	1.000722799	0.169758386	0.889952513	0.169758386	1.974554136	0.169758386	1.378075281
ribitol	0.324832453	0.324832453	0.324832453	0.324832453	0.324832453	0.324832453	0.324832453	0.324832453	1.637966377	1.539628164	1.159070494	1.272629654	1.651569429	1.348259768	2.20952345	1.762473641	1.026615218	0.778392048	1.213775697	1.003497142	0.324832453	0.324832453	0.755606643	0.324832453	0.324832453	0.824700192	1.073379194	0.806153462	0.324832453	0.324832453	0.324832453	0.62238578	0.980055047	0.953096658	0.996502858	0.908440527	0.324832453	0.324832453	0.770223216	0.737103089
5-aminovalerate	0.335673943	0.335673943	0.335673943	0.335673943	0.335673943	0.335673943	0.399676996	0.335673943	1.106319631	1.010245611	0.777211867	0.858949379	1.639752173	0.574607073	0.622653271	0.763723945	2.531831522	1.46896897	2.826520254	1.182442336	4.647201357	1.629192681	3.042109865	0.77774224	0.376715764	0.404771248	0.766129914	0.8832493	0.335673943	0.335673943	0.335673943	0.335673943	1.142544699	1	1.068455036	0.792552505	0.335673943	0.335673943	1.358576554	0.335673943
itaconate	0.133732424	0.133732424	0.133732424	0.133732424	0.133732424	0.133732424	0.133732424	0.133732424	1.115950879	0.947373049	4.397283079	3.772134605	1.260127991	1.17079328	4.904533799	5.261093576	0.227680006	0.200438983	0.365667425	0.305505159	0.168370398	0.306100921	0.432790244	0.607390128	0.571016553	1.667754318	6.634300873	5.416975162	3.279614078	5.038734301	9.399233682	11.17248881	0.133732424	0.14794871	0.247912329	0.224663922	0.288757949	0.297218858	1.052626951	1.331616734
indolelactate	0.191008161	0.191008161	0.191008161	0.191008161	0.191008161	0.191008161	0.191008161	0.191008161	0.191008161	0.434414156	0.191008161	0.269536386	0.191008161	0.191008161	0.324867	0.191008161	1.170615606	1.005986192	1.21319302	0.843432548	0.191008161	1.130164961	0.897144211	1.343447421	0.191008161	0.583075555	0.191008161	0.533894478	0.191008161	0.191008161	0.191008161	0.191008161	1.113628649	1.348415192	1.031278992	1	0.798653689	1.374626504	1.389335535	0.954471799
2'-deoxyadenosine 5'-monophosphate	0.344033205	0.547696578	0.674156677	1.324850736	0.55500562	0.352326136	0.731308819	0.344033205	1.499450223	1.398561923	1.892514252	1.568562817	1.53657534	0.989827542	1.874110064	1.670595625	0.928428595	0.744610193	0.366411433	0.678635784	0.344033205	1.268760378	0.800072563	0.344033205	0.614920062	1.771160655	2.121045099	1.26830259	2.139820939	2.67969981	1.523918538	2.033079921	1.053744365	1.507860926	0.97620572	1	0.580964355	0.699434754	0.688057747	0.73674162
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	1.245681976	1.833270623	1.295437218	2.653249791	2.149218903	0.724067391	1.750351759	1.264343452	0.836937016	0.561167608	0.827419894	0.686418905	0.695372105	0.628656778	1.10854985	1.00914249	1.018340562	0.863752348	1.361464437	0.946390645	0.939705109	1.190552048	0.770821439	1.089051645	0.242922157	0.628681462	0.750112817	0.548177353	1.444289532	1.944690144	1.573136019	1.927152947	0.993092928	0.952317725	0.876189845	0.926134341	1.037201195	1.493332811	1.271919167	1.489841153
1-stearoyl-2-oleoyl-GPS (18:0/18:1)	0.49777811	0.863395556	0.55196737	1.137333965	0.953394662	0.536283245	0.860708565	0.630264267	1.734738546	1.409391591	1.510132252	1.330999808	0.750948604	0.580421742	0.995645611	0.905682703	1.144818715	0.932222316	1.107212765	0.893413152	0.768121001	1.004354389	0.650302278	0.89106428	1.384262487	3.337690225	4.554080243	2.85601682	2.108079814	2.063318943	1.425333711	1.968065969	3.142936607	3.157035363	2.188215391	2.419042157	1.008715053	1.341092267	1.084554711	1.29847639
1-palmitoyl-2-oleoyl-GPG (16:0/18:1)	0.241583079	0.351552436	0.193431267	0.3900652	0.12231776	0.054574312	0.33378659	0.221819342	1.311584214	1.049951	1.173875117	1.019671735	0.885773666	0.681242013	1.137854591	0.952197195	1.107883177	0.980328265	1.104090983	0.951509235	0.78226655	0.871665004	0.652272855	0.962865557	0.400832253	1.107196313	1.507485542	0.966279286	1.658988069	1.624658729	0.710555964	1.636413371	1.312541563	1.385158435	1.092676029	1.178193944	1.123857391	1.567325373	1.393812538	1.377552147
1-stearoyl-2-linoleoyl-GPS (18:0/18:2)	0.919007993	1.363249377	0.900530952	1.84674033	1.731941199	0.952976911	1.344473617	1.106109413	1.063988916	0.853106961	0.931919564	0.931016365	0.715904298	0.708651683	1.225976998	1.001228883	1.281810886	1.054573407	1.259085543	1.03284529	0.965898023	1.411037283	0.817626628	1.073776632	0.403919099	1.08971751	1.192825506	0.896285843	1.10027401	1.400012865	0.998771117	1.195795373	1.396403104	1.457334275	1.155527335	1.227885013	0.606500308	0.970864289	0.813719678	0.854826766
1-stearoyl-GPI (18:0)	0.984402629	0.409009361	0.332895661	0.332895661	0.332895661	0.332895661	0.788909342	0.38179287	0.918102092	4.541126614	4.63121982	0.332895661	0.346201768	0.332895661	0.332895661	0.726601691	0.678411753	0.332895661	0.332895661	0.853160413	0.332895661	0.332895661	1.521551576	0.332895661	1.806371248	2.845844351	4.377882622	3.354890583	1.042938102	1.232933211	0.332895661	2.786284382	0.332895661	1.445239302	1.011808041	0.988191959	0.332895661	0.981119203	1.19244271	0.903960303
1,2-dipalmitoyl-GPC (16:0/16:0)	0.789226308	1.191159394	0.797451455	1.586812611	1.438826435	0.814986546	1.145683615	0.945097921	0.859906229	0.704747691	0.847801656	0.727014957	1.292055184	1.160420017	1.681720336	1.582127607	1.259508932	1.098428604	1.469397128	1.057878478	1.437534001	2.080430016	1.180338845	1.603191795	0.170332109	0.470390664	0.570183293	0.450416529	1.491534618	1.887771135	1.301792264	1.477595779	0.933045766	1.015013223	0.880327179	0.855297148	1.069135031	1.657614302	1.389516103	1.400575207
1,2-distearoyl-GPC (18:0/18:0)	0.199322269	0.199322269	0.296126577	0.199322269	0.199322269	0.199322269	0.283405556	0.199322269	1.922604967	1.487039852	1.500259829	1.446596169	1	1.061082783	1.748014739	1.718797846	0.548589218	0.698120053	0.866237093	0.477802778	0.565286406	0.199322269	0.564369833	0.714917674	1.037872497	2.457475167	3.411728802	2.338422713	1.097263974	1.389158248	1.319315676	1.771873207	0.982267429	1.004196053	0.741326148	0.828719589	0.199322269	0.351379937	0.930083137	0.399795409
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	0.444713818	0.57638988	0.321593762	0.682813963	0.63079977	0.345843566	0.466968115	0.370807572	1.127121434	0.913179846	1.039180457	0.884365765	1.172877082	0.895880884	1.446206286	1.360976537	1.715665682	1.403909127	1.742969912	1.34201784	1.295835277	1.691309229	1.150947337	1.575829079	0.338635634	0.923393837	1.162331873	0.849629803	1.395746187	1.384042137	0.960819543	1.295510772	2.036173645	2.165865608	1.745116779	1.72160471	1.635915917	2.250081273	2.057075827	2.105108409
5-methylcytidine	1.54269504	1.331039711	0.351809118	0.819753221	1.48821085	0.351809118	0.73029678	0.351809118	0.620584035	1.47813598	1.866663943	0.696176787	1.241725428	0.900885877	1.235409104	1.134480428	0.351809118	0.351809118	0.351809118	0.351809118	0.351809118	0.351809118	0.666375198	0.351809118	0.351809118	1.405207326	1.710244794	1	0.351809118	0.351809118	0.351809118	0.351809118	0.507222087	0.516636661	0.351809118	0.809687144	0.351809118	0.351809118	0.351809118	0.351809118
palmitoylcarnitine (C16)	2.079860031	2.047702112	2.126992743	1.680106084	1.782649814	2.405207215	1.640016253	1.123204879	0.511360216	0.19286659	0.163320835	0.333754925	0.163320835	0.163320835	0.408800874	0.163320835	0.512333148	1.39569682	1	0.577066123	0.533103204	0.245919846	0.262269029	0.511405237	0.214062967	0.303607123	0.415357374	0.505178088	0.163320835	0.163320835	0.293490114	0.315009451	1.416725067	0.828259419	1.441226368	1.261487934	0.529704101	0.475621746	0.802776724	0.567724565
hexanoylcarnitine (C6)	0.564999516	2.182572906	1.390550855	2.18914423	1.578616524	1.285812489	1	1.008694172	0.396938001	0.124283104	0.282164933	0.481035632	0.031307812	0.031307812	0.445716996	0.031307812	0.704443545	0.784576846	1.764138948	0.031307812	0.749661606	0.031307812	0.031307812	0.031307812	0.031307812	0.031307812	0.031307812	0.031307812	0.031307812	0.031307812	0.031307812	0.421702416	0.031307812	0.031307812	0.442823139	0.203060483	0.187240329	0.031307812	0.031307812	0.031307812
N-acetylaspartate (NAA)	2.425753768	3.836568764	2.4366304	4.721789091	4.726289264	2.030279176	2.693910412	2.422484341	0.91591687	0.851195982	0.973178142	1.018968172	1.018979032	0.81826516	1.423540352	1.159193718	1.22392261	1.102885434	1.607296385	1.182378268	1.078802125	1.400641435	0.981031828	1.103560839	0.303465005	0.793319904	0.98101032	0.836216351	0.9283411	1.022370668	0.692752487	0.762686274	0.803458878	0.682789502	0.809207594	0.744249825	0.538393181	0.652541351	0.764549698	0.69827073
acetylcarnitine (C2)	5.638314306	10.24361605	6.58726469	12.46193772	9.381101427	4.182148597	5.648434989	5.16031698	0.867681739	0.693270901	0.765541668	0.918542894	0.715890674	0.669179383	0.998524869	0.762820604	1.274301482	1.240126926	1.572459952	1.134809067	1.032217414	1.568212153	1.001475131	0.880552168	0.17345661	0.415657944	0.472833071	0.441445664	0.390700071	0.523963547	0.312131839	0.29475053	0.62774749	0.694845228	0.601418746	0.592380645	0.347461511	0.442217646	0.387860301	0.367653204
cysteine s-sulfate	0.500019148	1.398656704	0.547315641	1.48331956	1.50827736	0.50100727	0.654630198	0.644711699	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.236762365	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219	0.18353219
HEPES	0.025512133	0.022931799	0.021255132	0.037836511	0.022380806	0.013704209	0.035676151	0.033576234	0.747383007	0.39356192	0.592439454	0.644085968	0.761057468	0.58958042	0.845141115	0.986090293	0.969633069	0.671768287	1.361737562	0.737982413	1.261963128	2.139853155	1.091958901	1.013909707	0.203931524	0.731855498	1.027799567	0.624522071	1.373576843	1.727970528	1.02594025	1.235358647	0.90302691	1.069949002	0.907332978	0.683386415	1.474993409	1.259086087	1.095469543	1.091176328
erythritol	0.317246568	0.317246568	0.317246568	0.317246568	0.317246568	0.317246568	0.317246568	0.317246568	1.508891221	0.944875464	1.062421838	1.369820109	0.989369137	0.956212611	1.6474623	1.342544417	0.317246568	1.262522202	0.317246568	0.863380992	0.317246568	2.26240745	0.90149584	0.887923269	0.317246568	0.93139973	1.720985594	1	0.317246568	0.317246568	0.317246568	0.317246568	0.983872072	1.047202222	0.79981944	1.24918941	0.317246568	0.317246568	0.317246568	0.317246568
1-oleoylglycerol (18:1)	0.527132359	0.305668338	0.305668338	0.305668338	0.305668338	0.305668338	0.306049503	0.305668338	1.841664168	1.777367343	2.55635116	1.08795095	1	0.652204633	0.41354577	1.861310308	0.305668338	0.305668338	0.305668338	0.523012302	0.305668338	0.836225388	1.04022185	0.305668338	0.990571466	2.772925342	9.833284007	2.452334633	0.79816179	0.693634051	0.305668338	1.620054831	1.544569804	2.567837046	0.922776718	1.21891213	0.305668338	0.854599197	0.305668338	0.723331543
2-oleoylglycerol (18:1)	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.776092487	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.367465089	0.852824694	1.670677831	3.863511176	1.681077959	0.367465089	0.367465089	0.367465089	0.367465089	1	1.252977085	0.367465089	0.411003026	0.367465089	0.367465089	0.367465089	0.367465089
ribonate	0.458048555	1.068998646	0.627750773	1.37312123	1.552998012	0.575404908	0.573074615	0.522684721	1.233812968	1.29756253	1.270211743	1.117129371	0.649756155	0.480667854	0.772246798	0.83831266	1.292646185	0.809757798	1.218910786	1.189779853	0.602598643	1	0.695410174	0.526810846	1.028240139	2.350118385	2.80709746	2.095273329	0.924368848	0.671287839	0.563486425	0.720526022	1.986240581	1.599666097	1.407230805	1.777428853	0.553416492	0.888592598	0.591028671	0.553199915
threonate	7.310462623	12.98446054	5.409585265	13.3239823	15.81732255	6.470769052	7.962940571	7.570288332	1.095990043	0.981820231	0.938207265	1.042665586	0.667769344	0.677292177	0.964957466	0.593172009	1.677287038	1.391690617	1.804346997	1.641769795	0.766074936	1.018179769	0.604619547	0.527624734	0.135965214	0.229080354	0.363243462	0.334428847	0.253397912	0.147132166	0.126775819	0.092585104	0.448120425	0.577682215	0.442576577	0.49839513	0.111132892	0.085189961	0.140309511	0.092456765
butyrylcarnitine (C4)	0.114764519	1.468206939	1.212801376	1.966607822	0.114764519	0.283766231	0.114764519	0.335000887	3.229585856	1.713356303	3.487821769	5.157573825	1.798935888	1	1.879591754	1.246874558	1.056526825	1.140269187	1.995136155	0.582455817	0.539997578	0.44471121	0.430242693	0.431266734	0.254712317	0.384516605	0.810738868	0.880790726	0.682084945	0.114764519	0.114764519	0.151115759	0.895304967	0.43351218	0.664409863	0.573638698	0.114764519	0.114764519	0.114764519	0.114764519
isobutyrylcarnitine (C4)	5.442592373	8.299556694	2.601888358	6.757653399	5.839827057	5.047787441	4.435598261	3.41716026	1.399612657	1.000652991	1.042127988	0.999347009	0.896686318	0.573880761	1.022239601	1.213766991	0.503212221	0.422180512	0.58561376	0.263306322	0.451292008	0.777428077	0.457098358	0.416495586	0.039214404	0.039214404	0.132570692	0.13523086	0.59167867	0.039214404	0.422710008	0.434913176	0.230175168	0.081322052	0.232176156	0.14558503	0.205072715	0.039214404	0.039214404	0.420815807
trigonelline (N'-methylnicotinate)	1.087958975	1.524835938	0.880413236	1.446350716	1.821416734	1	1.133392437	1.049077941	0.061239337	0.083647387	0.042107401	0.042107401	0.098600546	0.042107401	0.128266041	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401	0.042107401
propionylcarnitine (C3)	6.065738537	12.33747088	5.667460237	10.51884798	11.01686592	5.600005084	5.724829063	6.379931119	0.802078451	0.636605168	0.889646342	0.975100324	1.019526308	0.804372802	1.238506798	0.930646056	1.128335097	0.837113272	1.317676037	0.758426064	1.189345285	1.685823581	0.833043245	1.070008943	0.118816623	0.284978	0.328502833	0.365259699	0.696087045	0.861764592	0.70849034	0.689693694	0.915322356	0.779136521	0.980473692	0.883011265	0.657211927	0.913191811	0.901583825	0.894829144
1-methyl-4-imidazoleacetate	0.367243041	0.367243041	0.367243041	0.367243041	0.367243041	0.367243041	0.367243041	0.766732748	1.486336823	0.367243041	0.731200513	1.140922002	0.954376424	0.751776114	0.367243041	0.367243041	0.367243041	1.045623576	2.966701045	0.924735184	0.367243041	1.980759938	0.367243041	0.367243041	0.385788268	0.895267636	1.421770061	0.367243041	0.367243041	2.144440879	0.367243041	0.367243041	0.367243041	0.367243041	0.367243041	0.732386913	0.367243041	0.367243041	0.367243041	0.367243041
N-acetylglutamine	0.359803744	0.472267011	0.3491211	0.644722549	0.486360692	0.259739158	0.33667451	0.287201716	1.165612193	0.860751772	0.948473974	0.962334367	0.733201063	0.614566757	0.814408403	0.892114602	2.160834738	1.646996976	1.98448397	1.410804816	1.284194874	2.061165092	1.12153699	1.394305218	0.469749742	1.251317528	1.573133602	1.304262976	0.917554816	0.722875287	0.354374958	0.596603266	2.140257145	2.143436532	1.805502343	1.805474949	0.974050621	1.257043925	1.025949379	1.246850075
N-acetylasparagine	0.34007132	0.384543159	0.272619394	0.155677852	0.401987187	0.255294332	0.060807944	0.091377488	0.568450695	0.375383338	0.457127009	0.49706662	0.841640137	0.712853257	0.812369491	1.02764698	2.198202747	0.95454808	1.325108084	0.97235302	1.272488198	1.939097144	0.950069846	1.033746651	0.48741485	1.29919831	1.653154487	1.309420835	1.116259126	1.448736112	0.876682942	1.307707903	1.377940067	1.335089014	1.269236137	1.203913693	1.259909329	1.507686442	1.250967821	1.442975572
glycylleucine	1.148337585	1.043435097	2.345908671	2.134560832	1.225604412	1.658594445	1.619113875	1.881790896	0.249387616	0.381138107	0.249387616	0.263590505	0.249387616	0.249387616	0.371980007	0.249387616	0.249387616	0.249387616	0.249387616	0.249387616	0.249387616	0.249387616	0.249387616	0.249387616	0.249387616	0.446528405	0.667792706	1	0.249387616	0.249387616	0.249387616	0.249387616	0.712402123	0.630668087	0.669063835	1.588514951	0.249387616	0.249387616	0.249387616	0.249387616
S-methylglutathione	0.645568531	0.74689184	0.47583535	1.096256479	1.002389334	0.514407058	0.751305733	0.51047544	1.561022261	1.371974092	1.486967744	2.016234755	1.953893886	0.955319758	2.062362362	2.173626152	0.687896557	1.309579682	0.749825351	0.991328408	1	0.764205391	0.656744338	1.169989926	0.401924056	1.417540828	1.346230593	1.519306487	1.255792787	0.573828051	0.558466124	1.022356929	1.292715928	0.955372862	1.206117404	1.245867704	0.380960477	0.403724481	0.380960477	0.633211426
1-palmitoyl-GPC (16:0)	0.292098684	0.585385527	0.450878551	0.596941676	0.474775494	0.250796755	0.418224021	0.274975128	2.270135877	2.172556543	2.056433611	1.549076944	0.939707598	0.822014579	1.40614332	1.295913733	1.150125098	0.78321563	0.592116919	0.673527632	0.552259562	0.800810136	0.623995548	0.844307741	0.560400364	1.536248391	1.889079903	1.242529567	1.821649403	1.646872928	1.322574423	1.676635817	1.691580396	1.946996733	1.148589985	1.509276418	0.980493309	1.573583031	1.301512568	1.460436061
N-acetylarginine	0.545027627	0.717346029	0.363046945	0.777915025	0.949952908	0.725138398	0.672729372	0.648674642	0.932245612	0.769736632	0.77238965	0.790154617	1	0.940399996	1.385339169	1.222940341	1.270015953	1.297163563	1.394731538	1.047237774	1.208840394	1.794591889	1.180482653	1.446118903	0.55866851	1.585655265	1.704448141	1.396913493	1.003864403	1.605619801	0.841934559	0.913384348	1.520097572	1.620619059	1.300614158	1.329974633	0.81804556	1.208087699	1.145946461	1.1361988
1-stearoyl-GPC (18:0)	0.940759541	1.633969043	1.62141438	1.646342448	1.159768128	0.886452841	0.862961999	0.736809064	2.226146451	2.148871778	2.282235404	1.643371447	0.839549332	0.752220883	1.508977738	1.551957933	0.889632765	0.647195476	0.642954124	0.534147289	0.459052473	0.730147664	0.559218532	0.819797341	0.512485581	1.357793454	1.612770007	1.367497205	1.162550861	1.283423074	1.200197422	1.201780401	0.842688226	1.059240459	0.697779646	0.791378883	0.568250741	0.71792441	0.799653806	0.778299924
1-oleoyl-GPC (18:1)	0.311946182	0.579132685	0.421595659	0.431779473	0.356823162	0.2485936	0.345985772	0.229936554	2.515829893	2.544380712	2.760912006	2.01554277	1.054415036	0.904466261	1.424932701	1.509572494	1.430752914	1.002716675	0.878830859	0.790107018	0.57111594	0.743716869	0.705527571	0.725183685	0.881375472	2.349407952	3.221415548	1.942278609	1.90830704	1.442577963	1.141381784	1.596432292	2.028155661	2.730493982	1.466274077	1.660045205	0.681407129	1	0.872577054	1.009157365
N-acetylthreonine	0.91813669	0.954970656	0.666351486	1.223806758	1.100817667	0.546083135	0.682129795	0.748228952	1.488341455	1.117239399	1.398509899	0.859276144	0.744095781	0.541755425	1.182077608	1.05022038	1.045524505	0.872468244	1.157084595	0.790779237	0.812617373	1.229214167	0.952937247	0.711145423	0.65780374	1.312999312	2.592904515	1.281575545	1.192745259	1.227300186	0.809532539	0.982165794	1.139245439	0.981473621	0.947164425	1.031291094	0.650813626	0.929416177	0.762975749	0.865296441
phenylacetylglycine	0.210066187	0.210066187	0.210066187	0.318315496	0.210066187	0.210066187	0.239472661	0.215752218	1.095772966	0.850615859	1.019079044	1	1.052381205	0.890835157	1.281884519	1.308105465	0.904115525	0.774467572	1.249087263	0.806603658	0.861564258	1.227440325	0.623787631	0.775356786	0.53051084	1.516269828	1.723707732	1.545059463	1.767545502	2.433641831	1.522044441	1.781035874	1.062809113	1.001440383	1.004000735	0.811576774	0.916909299	1.119480267	1.069012816	0.98506366
nicotinamide riboside	1.027490371	1.633633682	0.919618969	1.804413706	1.783229236	0.877117039	0.965029398	1.009231747	0.810259922	0.708028813	0.62457431	0.765483532	0.78563661	0.703793995	1.126171132	0.990988594	1.058143614	0.912268078	1.14587215	0.820288264	1.000475503	1.541157414	0.918943524	0.890791631	0.437971505	1.302486015	1.587876674	1.34472731	0.490604266	0.561376044	0.448799154	0.438102223	1.591463046	1.465324745	1.109189653	1.313704677	0.740319122	1.034398416	1.179570322	0.999524497
erythronate*	0.540007283	0.949279197	0.522242775	1.000037038	1.084437875	0.495305165	0.608859196	0.6208335	1.622568545	1.384901914	1.226468178	1.438058323	0.853261395	0.842926701	1.345949598	1.048237744	1.243238502	1.179885265	1.458457512	1.10009175	0.939766215	1.387858141	0.842728108	0.840811532	0.81083523	1.938353448	2.575324292	1.916060609	0.963869662	0.902692203	0.689298732	0.716895183	1.872563456	1.717136083	1.392279276	1.443728004	0.755544788	0.902785775	0.902983043	0.862662928
eicosenoate (20:1)	0.86402059	0.666580432	0.53665026	0.983197714	0.913764135	0.279740039	0.744650235	0.61616655	0.731446711	0.985232517	1.639427137	0.790981736	0.819808583	0.403684095	0.568380173	0.899779158	0.631521965	0.693523613	0.745867118	1	0.640486387	1.190071543	0.977155507	0.427520454	0.68521466	2.087687068	2.045037677	1.406740364	1.0002957	1.358104006	0.529380878	1.230856078	1.46300689	2.43995215	1.316854812	1.469585107	1.278324707	1.518957403	0.962365562	1.510069534
aconitate [cis or trans]	1.205502272	1.971634348	0.776127215	2.018726467	2.425330028	0.892152946	1.278952083	1.33073884	1.427447296	1.279263419	1.492956502	1.21962743	1.243182808	1.03215751	1.512074933	1.32486368	1.155312614	0.90724112	1.087518216	0.981094412	0.742987439	1.438488679	0.828879875	0.778692393	0.385217856	1.130100633	1.414114823	0.961979934	1.288547629	1.300630501	0.733682153	1.089249073	1.129843328	1.101219173	0.893055952	0.863034299	0.477868391	0.767057063	0.528756507	0.551422693
heme	4.145710305	6.796143188	4.302808672	10.70708322	6.771683688	3.993294528	3.16404527	2.860946818	0.622380409	0.582736058	1	0.352957873	1.054387776	0.870856001	0.465165599	0.925068464	0.650995783	0.721084132	0.154115088	0.425501011	1.178905813	0.959303302	0.866459096	1.148813514	0.36366383	1.259180153	1.209769987	0.716191977	1.170999046	0.882455763	0.406147397	0.154115088	0.154115088	0.154115088	0.154115088	0.154115088	0.434534569	1.571914115	1.386335002	1.396645072
stearoylcarnitine (C18)	4.402534644	4.140230706	6.15485157	3.99297482	4.24840135	6.687801529	4.870446495	3.064875052	0.605366348	0.442845972	0.264942754	0.43328437	0.264942754	0.264942754	0.782038234	0.542246342	0.630761317	1.282960432	1.036906447	0.886088407	0.264942754	0.264942754	0.264942754	0.264942754	0.264942754	0.571315298	0.73036033	0.476575127	0.264942754	0.264942754	0.264942754	0.682889765	0.854332616	0.693444517	1	0.81869298	0.264942754	0.264942754	1.084808419	0.264942754
isovalerylcarnitine (C5)	1.370115678	2.601266898	0.894347899	1.593501162	0.5765549	0.705726145	1	0.614660436	0.154919988	0.178769215	0.781527872	0.293914189	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988	0.154919988
1-linoleoyl-GPC (18:2)	0.686240378	1.096518891	1.232221768	1	0.365714477	0.407309769	0.577320077	0.187171928	0.64176389	0.804353662	1.000027834	0.458734049	0.394661165	0.187171928	0.187171928	1.002093313	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928	0.187171928
cytidine-5'-diphosphoethanolamine	0.779898913	1.079168775	0.558524013	1.088511179	1.254679322	0.504935238	0.701567271	0.689360556	1.121230886	0.951995021	1.047384409	1.024105901	0.872719288	0.755657027	1.062795665	1.171541512	1.57752239	1.355729239	1.756632954	1.262185322	0.984468687	1.477171285	0.860780045	0.938689225	0.216738943	0.527077464	0.610489909	0.613294876	0.828394954	0.892887725	0.587099986	0.724741748	1.002863048	1.082509782	0.997136952	0.882088306	0.614554291	0.85058549	0.657404043	0.706379697
N2,N2-dimethylguanosine	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.814031199	0.941711785	1.091415499	0.161690094	1.146579401	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	1.058288215	1.291591253	0.907276046	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094	0.161690094
N6-carbamoylthreonyladenosine	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757	0.904088667	0.444877757	0.444877757	0.766246029	1.095911333	0.718270888	1.400766712	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757	1.433675061	1.994494119	1.475669492	0.444877757	0.444877757	0.444877757	0.444877757	0.555632801	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757	0.444877757
orotidine	0.934648247	1.562274994	0.795824706	1.637029947	1.87110329	0.985024488	1.05458604	0.967092215	2.246092776	1.93948134	2.003860983	2.175894932	1.465042137	1.295863153	1.800443718	1.663286548	1.206377331	1.075818418	1.073796977	0.993228454	0.825102044	1.245727433	0.686957093	0.795808274	0.474366528	1.287250328	1.447293471	1.197084873	0.684976644	0.64979255	0.361642861	0.433294433	1.006771546	0.884830409	0.875389754	0.775154745	0.300054819	0.386631326	0.348873184	0.312584799
5,6-dihydrouridine	2.266865548	2.750893079	1.637886563	3.51747883	2.863335772	1.52761733	2.160463085	2.148034218	0.346426189	0.658111456	1.009343354	0.634719168	0.192630568	0.192630568	1	0.871902997	0.192630568	0.192630568	0.192630568	0.192630568	0.192630568	0.192630568	0.192630568	0.192630568	0.192630568	0.8691867	1.001037091	0.716300298	0.192630568	0.192630568	0.192630568	0.192630568	0.192630568	0.661206122	0.506016023	0.73415635	0.192630568	0.192630568	0.192630568	0.192630568
cysteine-glutathione disulfide	1.532190943	1.486028802	1.217328986	2.113264619	1.539616263	1.109469713	1.603094325	1.827580051	0.522390829	0.478697142	0.578810849	0.479293948	0.818104272	0.62809557	0.775354191	1.091460768	0.736953668	0.579933332	0.997433657	0.499156037	0.91317508	1.477447578	0.676238512	0.845315015	0.083884281	0.222779785	0.299849326	0.189405705	1.056613459	1.413489735	0.525993295	1.002566343	0.441796928	0.424695507	0.445260477	0.379769989	0.956316764	1.009176924	1.005924001	0.857306977
adenosine 3'-monophosphate (3'-AMP)	0.616779829	1.837416002	0.921596509	1.714942099	1.517250668	1.044369472	1.158718059	1.193454214	0.131541063	0.371179558	1.28901014	1.008111391	0.607175873	0.653994236	1.675839396	1.466831813	0.844063648	0.131541063	1.27329816	1.219632563	0.131541063	1.350732542	1.425921082	0.747187265	0.131541063	0.41935687	1.038528934	0.862321593	0.131541063	0.131541063	0.632092058	0.131541063	0.623227013	0.972679729	0.749281844	1	0.131541063	0.131541063	0.735514221	0.131541063
1-stearoyl-GPE (18:0)	0.3493761	0.445634035	0.310155623	0.6233	0.482241836	0.328001806	0.431163125	0.314964497	2.539094606	2.110147102	2.213691281	1.869170994	1.490830227	1.263735737	1.985650496	1.778938035	1.211455331	0.710550502	0.594084843	0.655074098	0.681829387	0.973515549	0.779779753	1.057746543	0.507719169	1.39560162	1.604211971	1.318396117	1.496361362	1.52464684	1.09534177	1.409560282	1.41321792	1.803228303	1	1.153249326	0.701768137	1.096381987	1.1161116	0.997731801
3-methylcytidine	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	1.163065566	1.643284774	0.836934434	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865	0.317992865
N-glycolylneuraminate	0.855994454	1.106000619	0.561295266	1.047610051	1.259265546	0.684763142	0.786752741	0.806093005	0.629286836	0.537088774	0.665355823	0.590935102	1.1572243	0.966324403	1.364965033	1.533187238	0.835776957	0.70778087	1.022096457	0.734073971	1.180048317	1.795931885	1.038654024	1.10460231	0.318392748	0.791455149	1.091132737	0.754065502	0.943027803	1.157965725	0.710073078	0.854223721	1.091894543	1.127596116	0.958630045	0.998560027	0.916706416	1.234578645	1.001439973	1.091682066
pantetheine	0.393165807	0.393165807	0.393165807	0.393165807	0.393165807	0.393165807	0.393165807	0.393165807	1.899338	3.100317167	2.300099033	1.233818339	1	0.87570677	0.881102527	1.976475639	0.393165807	0.393165807	0.393165807	0.689728744	0.393165807	0.393165807	0.97574554	0.393165807	0.57661706	2.275925688	2.993752874	1.571403935	0.393165807	0.393165807	0.393165807	0.393165807	0.451972478	0.743543601	0.546570656	0.931325176	0.393165807	1.624082646	0.393165807	1.041208893
oleoylcarnitine (C18:1)	1	1.046827727	0.563310086	0.067117663	0.067117663	1.233717959	0.489613394	0.576899647	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.723789028	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.067117663	0.421799107	0.067117663	0.469305007	0.343134526	0.067117663	0.067117663	0.067117663	0.067117663
2-methylbutyrylcarnitine (C5)	1.278027072	1.553076777	0.594256526	1.328527888	1.158056523	0.998076893	1	1.11730471	0.742425795	0.688117012	0.810453048	1.085398214	0.464027821	0.227370609	0.528523147	0.565417879	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609	0.227370609
1-palmitoleoyl-GPC (16:1)*	0.318337364	0.318337364	0.318337364	0.318337364	0.318337364	0.318337364	0.318337364	0.318337364	1.928855424	2.000279167	2.052190325	1.610737932	0.641658492	0.487623699	0.852488436	1	1.26834376	0.810090563	0.413089954	0.487414695	0.318337364	0.620678514	0.489734325	0.537371785	0.525549435	1.487865579	2.206604084	1.225499726	1.7330354	1.108518332	0.935263672	1.006642582	1.543274067	2.049223408	1.14342807	1.351057832	0.318337364	0.698667567	0.548437312	0.791026223
glutamine_degradant*	0.6611748	0.861621155	0.587459107	0.8433444	0.702889498	0.409695691	0.458951598	0.499674511	1.016200625	0.895313441	1	0.924659828	0.600835446	0.678941563	0.833662475	0.877872683	2.78720868	0.900076085	1.271487972	0.926921907	1.163865634	1.217731766	0.82291454	0.709872427	0.746786646	1.893856349	2.682383054	1.886415405	1.135719249	1.204076212	0.496180527	0.838287695	1.700978677	1.49576142	1.437241439	1.398584103	0.813137275	1.188737683	0.832424242	1.128383162
homostachydrine*	0.492833253	0.67370533	0.316106506	0.316106506	0.316106506	0.393500593	0.316106506	0.555719631	1.510426336	1.213449466	1.130698696	0.87253289	1.126397405	0.774530181	1.089868826	1.235082239	1.201932595	1.191500703	1.822973218	0.831240801	0.831155077	1.335886153	1.04432055	1.15889877	0.402463184	0.90781439	1.637170912	0.780228296	0.316106506	1.436054127	0.316106506	1.041025347	0.845636519	1	0.9955656	0.631740857	0.673716356	0.923552971	0.801787061	0.566802945
2-palmitoleoyl-GPC (16:1)*	0.31080811	0.31080811	0.31080811	0.31080811	0.31080811	0.31080811	0.31080811	0.31080811	1.086580114	1.133301038	1.467038816	0.766914079	0.31080811	0.31080811	0.565973619	0.482437252	0.31080811	0.342253668	0.31080811	0.31080811	0.31080811	0.31080811	0.31080811	0.31080811	0.632655296	1.623613327	2.253353187	1.369985089	1.321589349	1.146666177	0.640929469	1.159120316	1	1.103712011	0.830371207	1.045489299	0.31080811	0.647332033	0.572581422	0.678429756
1-palmitoyl-GPE (16:0)	0.159645232	0.258887303	0.209885951	0.373130404	0.344013241	0.170109467	0.288065835	0.1169267	2.529069164	2.171832437	2.087419823	1.819378425	1.101640402	0.980498238	1.632582699	1.453452724	1.149598435	0.687081611	0.557544295	0.628145523	0.661161213	0.921308203	0.613968303	0.944478682	0.409133326	1.215797668	1.356902323	1.127211068	1.360340062	1.314416573	1.015150793	1.176348509	1.469986084	1.858175388	1	1.146062778	0.70609522	1.116400017	0.951540508	1.041887496
1-oleoyl-GPE (18:1)	0.078130948	0.078130948	0.078130948	0.078130948	0.078130948	0.078130948	0.166670749	0.078130948	2.131219704	1.91226276	1.801003095	1.497011942	0.964150703	0.761420715	1.374214182	1.104597879	1.035849297	0.771167795	0.407236699	0.557856406	0.360855274	0.463121674	0.525217009	0.667567091	0.438611451	1.224998522	1.620167892	1.048240352	1.26040113	1.455368521	0.784923154	1.120150974	2.195385163	2.52073007	1.505549869	1.554115305	0.520350182	0.783617655	0.651470758	0.799861596
1-linoleoyl-GPE (18:2)*	0.115127219	0.115127219	0.115127219	0.115127219	0.115127219	0.277171829	0.27964362	0.115127219	1.900856395	1.761193803	2.393560061	1.726728778	1.33666496	1.404776009	2.524983216	1.930046296	0.717523235	1.199973567	0.115127219	0.53600687	0.488089342	0.115127219	1.422604721	0.500841891	0.478925528	0.928385122	1.252029829	0.833806068	1.076433283	0.115127219	0.698244864	0.941953911	1.350059607	1.564855099	0.909252571	1.180102522	0.50544807	0.871609477	0.705942044	1.058046089
gulonate*	0.758699064	0.594402221	0.368295274	0.683985115	0.366335212	0.287525012	0.473102863	0.291114502	2.032101028	1.622182358	1.48118134	1.515951685	0.324477381	0.309450303	0.540999023	0.321607781	3.079911681	1.769092972	1.238736783	1.565444935	0.757026804	1.303502763	0.794820454	0.703967224	1.205179546	3.092943115	3.624237018	2.474426964	0.484000257	0.287525012	0.33974884	0.287525012	3.747718429	3.527845336	2.120046781	2.264319972	0.337372289	0.287525012	0.490153354	0.44445848
cholesterol sulfate	2.989376576	3.68777324	2.909275063	5.151580274	5.294554984	2.83999298	3.518793506	3.589079156	0.927626782	0.780648985	0.805585233	0.904295103	0.309715062	0.526162416	0.826577989	1.293778931	1.271052636	1.21107022	1.487685862	0.977708588	0.309715062	1.358146152	0.981876801	0.800790462	0.309715062	0.564076628	0.870555151	0.637536155	0.874702702	0.309715062	0.309715062	0.807351424	1.178708407	1.099445917	0.924052738	1.018123199	0.309715062	0.309715062	0.727366464	0.309715062
glycerophosphoglycerol	1.362359556	1.910602898	1.268466936	2.356696517	2.07977425	1.182603964	1.360577585	1.364732225	1.257430369	0.926980679	0.872210358	0.999039185	0.867519031	0.770591503	1.295280486	1.035388105	0.636715222	0.528012199	0.638045992	0.50912949	0.517794763	0.680916591	0.422212988	0.561693789	0.587123112	1.192649549	1.419818621	1.488905614	0.925370189	1.000960815	0.744670567	0.777168529	1.263659271	1.006177279	0.916530709	0.895822921	0.949658603	1.171476089	1.118815703	1.059089699
glycerophosphoethanolamine	0.954616369	1.248253414	0.758917773	1.446528407	1.479552748	0.711343983	0.822606829	0.853872475	1.238054503	0.823961634	1.006676407	0.943548852	1.024215836	0.800661503	1.342676123	1.369852444	0.611035963	0.45885945	0.647821255	0.550322165	0.64910876	1.188875714	0.580375599	0.719171485	0.352183383	0.871257483	1.009536325	1.050843442	1.59387907	1.919833144	1.261876406	1.516809949	1.094420116	1.012076328	0.849603027	0.993323593	1.262216389	1.884351153	1.494448995	1.649170141
glycerophosphoinositol*	0.593077578	0.865032348	0.403470772	0.837683376	0.934130945	0.462194617	0.555658367	0.582625407	1.902931471	1.399335037	1.478873504	1.251950639	1.552823201	1.301005444	1.886298481	2.171433023	0.886298986	0.620740089	0.68676483	0.548072207	0.958384333	1.579763706	1.033210234	1.049884459	0.412846436	1.011688567	1.640065069	1.046862986	1.324797869	1.462226725	0.825663314	1.067768579	0.92976532	1.043184095	0.759711593	0.777403609	0.63548488	1.106502982	0.854750158	1.00613409
sedoheptulose-7-phosphate	1.622910704	0.726844995	0.658120747	1.116063316	0.230459889	0.230459889	1.119302958	1.006052474	1.762205103	1.00963567	1.313286111	1.302727297	2.549430855	2.180989559	3.548520071	3.70331918	0.970938376	0.641205922	0.778319499	0.63508389	0.296285268	1.036022082	0.850290591	0.614878388	0.365011778	0.731704399	1.063763288	0.890110555	1.005934407	0.98498685	0.994065593	1.231646793	1.224253395	1.34464257	0.988070101	1.016452969	0.230459889	0.768549368	0.767965655	0.812260883
deoxycarnitine	2.184814871	2.986607826	1.825350836	4.167244792	3.51458787	1.979987936	2.171224074	1.906122943	0.977254923	0.851859351	0.862504953	0.967275133	0.707950321	0.602616599	0.929112317	0.87680472	1.301899287	1.07937319	1.462823449	1.148691604	0.90865243	1.344419765	0.77472438	0.740427348	0.312448366	0.820915973	1.03437799	0.776910938	0.740138229	0.832641565	0.453314032	0.531060111	1.007379557	0.992620443	0.940139539	0.914415999	0.470661838	0.572234632	0.507449502	0.534822437
N6-succinyladenosine	0.454965392	0.202271815	0.202271815	0.202271815	0.202271815	0.437216056	0.202271815	0.202271815	3.018374233	3.66903406	3.638279063	2.346656789	1.599124052	1.561204944	1.535148964	4.22768812	1.027166566	0.845143215	0.346892669	1.13109185	0.202271815	0.202271815	0.845248624	0.202271815	0.81612502	2.338644326	4.153338492	1.923066517	0.530979092	0.365857209	0.288103645	0.703074773	0.682656257	1.208801009	0.789102205	1.585230864	0.202271815	0.827818718	0.460662916	1
1-ribosyl-imidazoleacetate*	3.896965226	4.177110211	1.761347993	3.416995218	4.157942756	3.433894811	1.768708595	2.271339111	0.576852065	0.336525267	0.286586617	0.511968367	0.286586617	0.286586617	0.360393727	0.286586617	0.408350857	0.457662098	0.286586617	0.286586617	0.286586617	0.286586617	0.286586617	0.286586617	0.482916211	1.307867655	1.34328614	1.379114681	0.286586617	0.286586617	0.286586617	0.286586617	0.692132345	0.607082152	0.499639867	0.654213319	0.286586617	0.286586617	0.286586617	0.286586617
adenosine 2'-monophosphate (2'-AMP)	1.953298146	1.131323913	1.035708036	1.125441957	1.245220443	1.10410513	1.787255041	2.064796553	0.224212713	0.224212713	0.224212713	0.224212713	0.386819124	0.224212713	0.280226225	0.224212713	1.534737301	0.519922481	1.050928545	1.12760367	0.809222984	1.917507266	1.796570733	0.435522125	0.224212713	0.224212713	0.224212713	0.224212713	0.641032314	1.844901089	0.351251904	0.764973334	0.712465612	0.92136437	0.60438187	0.506147052	0.897142672	3.138912064	0.964291964	1.44288528
phenol red	0.186493611	0.186493611	0.186493611	0.186493611	0.186493611	0.186493611	0.186493611	0.186493611	0.814753787	0.365582822	0.601372827	0.806174771	0.532388286	0.458352613	0.640938157	0.786117739	0.771048005	0.47511672	1.239837431	0.608243182	1.351344347	2.564467784	1.043798014	0.724006743	0.186493611	0.918749827	1.341551003	0.730314748	1.779744829	2.276314505	1.46339679	2.022396638	0.753602965	0.947622315	0.751106689	0.439143552	1.617709083	0.956201986	0.891650672	1.137357183
mannitol/sorbitol	0.128606094	0.161625847	0.179555231	0.156740316	0.187142596	0.110933762	0.132203899	0.151411401	1.384328667	1.070510048	1.030700608	1.160133534	1.043453748	1.169586849	1.451715232	1.533464056	1.547284614	1.285036027	1.466568387	1.147540725	1.285007329	1.869075815	0.994325939	0.917996773	0.325329443	0.713254317	0.885757072	0.659468254	0.682649544	0.698449812	0.63506004	0.588482012	1.598234627	1.502363361	1.069251292	1.308021768	0.754192602	0.85052852	1.047890654	0.863377401
methylphosphate	1.38261939	1.62264487	1.628576484	1.8426102	1.399766129	1.26581873	1.192408949	1.218714708	1.736219854	1.39026603	1.368934214	1.764016892	0.981165768	0.736892386	1.220234889	1.101682223	0.750620932	0.645134296	1.030891063	0.711580309	0.561422433	0.874208052	0.494426454	0.67731934	0.625254564	1.678126346	2.587442248	2.017893267	1	0.908808088	0.683931115	0.844681735	0.784398278	0.899445791	0.819107692	0.880675023	0.318543035	0.503260899	0.490772081	0.354039349
dimethylarginine (SDMA + ADMA)	6.591933526	4.90444948	2.648598226	7.377100833	4.532133067	2.454395551	6.319787572	6.658342782	0.992261696	1.582983832	0.880029711	0.872186788	0.831566585	0.75052362	0.906091652	1.626588805	1.007738304	0.890600051	1.259395643	1.065848657	0.495947411	1.154318783	0.771576549	0.519360807	0.599448062	2.030542936	2.567758651	2.412811565	0.750590392	0.85426191	0.439750725	0.839484993	1.527070357	1.754458237	1.411018329	2.522350133	0.229893694	0.353408575	0.330971584	0.462880812
N-acetylserine	0.563398221	0.708752745	0.661880929	1.250875777	0.734999738	0.258182283	0.497174278	0.409996101	1.455163055	1.229090015	1.336400511	1.426953837	0.625178253	0.566320421	0.71638608	0.860309509	1.243336194	1.028582005	1.296985275	0.93729354	0.660429663	1.26427879	0.62936418	0.787785831	0.994391369	2.662069242	4.054927191	2.859663782	1.930877782	1.428644087	0.872664798	1.193655757	1.557462909	1.713424722	1.494059056	1.432896119	0.67886327	0.942699098	0.836980257	0.949524589
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	0.301649736	0.480006846	0.288257515	0.605481379	0.567773078	0.357697609	0.49356635	0.417220128	1.537202517	1.218330549	1.256166013	1.058804067	0.986707525	0.833675183	1.251220502	1.216381759	1.013292475	0.853473292	1.141018367	0.839384642	0.842343437	1.274593581	0.729838669	1.055097467	0.821603053	2.216073722	2.504234455	1.916210457	2.582211797	2.612866926	1.74564512	2.427296835	2.038068634	2.020411778	1.529557272	1.730946547	1.525910664	2.428097685	2.039233978	2.289359279
1-stearoyl-2-oleoyl-GPG (18:0/18:1)	1.503979253	2.225054194	1.160062891	2.664664341	2.057263945	0.908121991	1.797277711	1.317096583	0.783284714	0.654355645	0.729552416	0.73898192	0.68236048	0.675334861	1.055383244	1.106420842	0.699320608	1.117379922	0.885561611	0.947683317	1.210310479	0.974111809	0.624100563	1.002431776	0.247502606	1.031560927	0.619526464	0.930900537	1.103043766	1.355635994	0.663178702	0.247502606	1.160476227	1.287464844	0.997568224	1.052844869	0.247502606	0.741681603	0.967090469	1.01584997
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	2.486431072	3.232948974	2.692401503	4.705790348	3.386706252	2.135772114	2.994301226	2.323016336	0.600227393	0.655817802	0.830880469	0.561355865	0.743996186	0.658375291	1.203667332	1.023357917	0.775520818	0.67753457	1.288286352	0.807565134	0.901243377	1.150926257	0.833123825	0.976642083	0.114237032	0.279802478	0.333784208	0.281823178	1.063789092	1.16588484	0.934399993	1.267100086	0.348406007	0.333426365	0.319384259	0.316187106	0.488365387	0.667336375	0.71060326	0.656642752
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	0.512251987	0.81543003	0.498620481	0.985251635	1.004685705	0.634572377	0.7774767	0.690977258	1.128886269	0.995314295	1.049056631	0.904138512	0.940633647	0.882641122	1.213905891	1.158707104	1.320536354	1.129119743	1.289490127	1.044074695	1.252221409	1.812997852	1.08495686	1.586028823	0.286718918	0.858003559	0.974791014	0.711405165	1.650179209	1.910424157	1.138024022	1.607850779	1.669174541	1.806707574	1.368641875	1.437360149	1.334750188	2.076529213	1.863141449	1.897756702
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	1.525194231	2.074722815	1.593694123	3.139803733	2.589989448	1.386338261	2.167391144	1.815118219	1.013303431	0.803358817	0.951543832	0.868628632	0.711928088	0.67436305	1.286297864	0.982877157	1.36893395	1.099684678	1.496690557	1.159111722	0.9553861	1.260909714	0.838508944	0.892745888	0.224067947	0.620967277	0.651733267	0.535603966	0.944443043	1.242541414	1.005429506	1.094872725	0.900607718	1.068416389	0.999759021	0.877041949	0.523364479	0.72216796	0.766301056	0.702227319
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	0.429001372	0.565753316	0.785908574	1.104065066	0.750599496	0.392096226	0.778325137	0.560230945	1.270556394	0.992909924	0.939316805	0.796020512	1.011191925	0.634344918	1.485700031	1.364268754	0.898420446	0.876595941	0.867896238	0.638086401	0.563470128	0.588502761	0.851874723	1.11889232	0.431023791	1.024355495	1.40434026	0.988190188	1.671154818	1.427719986	1.42513822	1.724897258	2.741569658	2.514146738	1.89406927	1.986754845	1.007090076	1.467075456	1.344282983	1.425162981
succinylcarnitine (C4-DC)	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453	0.599039453
2-hydroxyglutarate	0.879283054	0.289628295	0.527882105	0.289628295	0.289628295	0.289628295	0.464425265	0.439473365	3.097844833	2.547466307	2.29859324	3.64802495	0.985646987	0.497126558	1.323227714	1.267389529	0.289628295	0.48439737	0.289628295	0.289628295	0.289628295	0.990935249	0.289628295	0.289628295	0.289628295	0.683222851	1.074571238	0.788379098	1.398453913	0.86240985	1.244561272	1.009064751	0.460635559	0.305517953	0.516021504	0.326734601	0.415449857	0.289628295	0.289628295	0.289628295
sphingomyelin (d18:1/18:1, d18:2/18:0)	0.253479885	0.253479885	0.360333332	0.253479885	0.650436355	0.253479885	0.392635502	0.466663048	1.147535976	0.758288466	1.334053763	1.167695546	0.855957009	0.560936181	0.636640016	0.492199641	1.383254752	1.355768991	1.517173432	1.534037199	0.253479885	1.757389907	0.648788835	0.769469395	0.417356366	1.071692581	1.398189055	0.952083051	0.253479885	1.503440667	1.281848552	1.047916949	1.628568709	1.854198563	1.427068575	1.28899436	0.636883081	0.253479885	0.622058265	0.874236434
palmitoyl sphingomyelin (d18:1/16:0)	0.656914075	0.883136723	0.669596548	1.308702607	1.031280173	0.661355025	0.878433561	0.796480816	0.894270359	0.757519026	0.968719827	0.79139143	0.949640119	0.7607049	1.330605574	1.193052763	1.302876163	1.134418552	1.642033084	1.147381763	1.27289631	1.743329048	1.241347458	1.4072124	0.255641328	0.67484336	0.821647915	0.644384554	1.276060202	1.39471153	1.073806777	1.344881321	1.194424184	1.28396833	1.096918739	1.061523978	0.877092218	1.241475587	1.265391714	1.206599473
ergothioneine	9.838633207	12.37362329	8.545094985	18.06818227	11.78552893	7.991066069	9.539129866	10.03516728	1.189103176	0.977262392	0.604276598	0.853241599	0.70515602	0.52582005	1	0.674916787	1.01395106	1.505869075	0.956788325	1.000336897	0.574284668	0.104420435	0.654841418	0.613887349	0.104420435	0.346897472	0.204882829	0.283100339	0.104420435	0.104420435	0.104420435	0.104420435	0.401525803	0.371715839	0.172278581	0.51672272	0.104420435	0.104420435	0.104420435	0.104420435
penicillin G	0.028061851	0.017719675	0.022072219	0.053142117	0.018504125	0.014399936	0.04135922	0.045783698	1.322291245	0.748980564	0.980919861	1.124765997	0.93723832	0.635399231	0.840084765	1.113331255	1.381015676	0.918570084	1.971856989	0.976229062	1.795419096	3.287992602	1.587411267	1.070058493	0.214368435	0.911636057	1.371500621	0.730406157	1.192145874	1.402696145	0.76330582	1.019080139	0.798404142	1.158428158	0.791545907	0.566838899	1.334404688	0.77626164	0.71710918	0.777270429
fructose 1,6-diphosphate/glucose 1,6-diphosphate/myo-inositol diphosphates	0.847686113	0.964497875	0.818533688	1.502038862	0.997568041	0.538611805	0.833885732	0.906987904	0.755332832	0.336170103	0.613692678	0.610129387	1.692925539	1.212605728	2.902612736	1.70719141	1.489698325	0.909962322	1.668058128	1.057264844	1.391237727	1.497621489	1.002431959	1.147443511	0.177715432	0.519213439	0.549605079	0.355553252	1.191750935	1.179214606	1.09134607	0.724915999	1.293885639	1.364067824	0.97076596	0.846510797	1.054729135	1.137033557	0.919466074	1.126048737
3-methylglutaconate	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	1	0.749311601	0.562455217	0.853619542	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	1.38314721	2.125157304	1.60527676	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217	0.562455217
5-(galactosylhydroxy)-L-lysine	4.253172284	5.841830798	3.831582626	6.691214984	6.829880271	4.16222276	4.905527026	6.121597694	0.370563074	0.251869682	0.210893729	0.457887232	0.937704628	0.732760066	1.10139939	1.062295372	0.551473402	0.515980196	0.83941469	0.615782404	1.087443491	2.109985778	1.21283612	1.161568064	0.210893729	0.256087812	0.321676328	0.210893729	0.210893729	0.210893729	0.210893729	0.210893729	0.237344759	0.466583412	0.419009776	0.382493281	0.210893729	0.210893729	0.619215875	0.650733363
sulfate*	0.455868737	0.937890994	0.504655526	0.805184427	1.126795821	0.333464227	0.496855899	0.439090807	0.698090248	0.548340341	0.756855467	0.641190142	0.78461218	0.585823781	0.762383004	1.017261543	0.988057427	0.737285209	1.789335293	0.787646067	1.319578375	2.277828033	0.954577869	1.199314283	0.242508206	0.717831753	1.017033824	0.663815148	1.675854762	2.159533284	1.043619081	1.465983332	0.817976257	0.934542134	0.799027072	0.658568215	1.393233197	1.473711869	1.011942573	1.113801884
sedoheptulose	0.284192413	0.284192413	0.284192413	0.284192413	0.284192413	0.284192413	0.284192413	0.284192413	1.120623446	1.014367556	1.137441251	1.13824942	0.639641243	0.452640579	0.574403861	0.985632444	0.284192413	0.284192413	0.284192413	0.284192413	0.284192413	0.284192413	0.284192413	0.284192413	0.428096551	1.199386472	1.584587682	1.1526442	0.284192413	0.284192413	0.284192413	0.284192413	0.284192413	0.284192413	0.284192413	0.340836557	0.284192413	0.284192413	0.284192413	0.284192413
S-methylcysteine	0.18786001	1.698545599	1.000126822	1.224672966	0.18786001	0.858030679	1.716010118	2.005891797	0.816605147	0.532539052	0.49687048	1.257995886	1.41083134	0.603630332	0.930692691	0.18786001	1.812500281	0.18786001	1.438270043	0.429312672	0.460228596	1.435795143	0.683360645	0.18786001	0.18786001	1	1.198454171	0.522449854	0.18786001	0.18786001	0.18786001	0.18786001	0.853445259	0.975592795	1.127695903	1.104953654	1.130672642	0.18786001	0.97646043	0.18786001
2-oxoarginine*	0.106699321	0.106699321	0.106699321	0.106699321	0.106699321	0.106699321	0.106699321	0.110493844	0.459180303	0.393081514	0.284728999	0.267756941	0.737020714	0.528527248	0.728434772	0.922427996	1.273162565	1.068572288	1.356326481	0.962310519	1.31882762	2.255826726	1.394858012	1.295566523	0.338370632	0.982087195	1.097962838	0.703675315	1.182329483	1.636760294	0.739561211	1.105898451	1.017912805	1.228379833	0.973123715	0.962512789	1.208351385	1.580253094	1.494415469	1.400857061
1-lignoceroyl-GPC (24:0)	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.850666845	0.729390672	2.102485479	1.149333155	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672	0.729390672
1-methyl-5-imidazoleacetate	0.347488976	0.347488976	0.347488976	0.347488976	0.347488976	0.347488976	0.347488976	0.347488976	1.20840295	0.92625451	0.891796382	1.163165528	1.022674938	0.874019738	0.77172107	1.086829037	1.019483314	1.131780596	1.834697821	0.909288236	1.628388736	0.709058504	0.866278193	0.347488976	0.347488976	1.019249114	1.552637206	0.894711939	0.347488976	0.347488976	0.362587703	0.347488976	0.964823017	1	1.013789079	0.732452317	0.347488976	0.347488976	0.624964293	1.022591947
UDP-N-acetylglucosamine/galactosamine	0.838481718	0.310864998	0.43355838	0.310864998	0.346028831	0.57813779	0.419000377	0.547975451	1.143272908	0.886968361	0.850198156	0.821248078	1.333776906	1.434287318	2.399964064	3.327541822	0.840674668	0.854627564	0.883981133	0.745656783	1.048461336	0.642510388	1.259545225	1	0.467900042	0.734747385	1.257110263	0.877243023	2.073897571	1.786981142	1.228215484	1.110226339	0.845403658	0.952582352	1.073172179	0.953933227	1.372699868	1.561147042	1.296023235	1.694057626
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	0.373866884	0.454556894	0.279819733	0.511904968	0.316402893	0.292709094	0.377753973	0.249332882	2.077822293	1.601311518	1.555390945	1.436161775	0.87171812	0.685208979	1.472212835	1.12828188	0.789763223	0.551084064	0.375953815	0.476435511	0.375162218	0.42949417	0.369584155	0.506047543	0.783380633	1.939882436	2.595773848	1.772607087	2.076824296	1.865732302	1.410352566	1.798870193	1.637745488	1.600236809	1.204367839	1.156811227	0.813815492	1.181183067	1.222044589	1.244317699
1-(1-enyl-stearoyl)-GPE (P-18:0)*	0.495040722	0.462132893	0.599821158	0.857461741	0.235214678	0.517863049	0.557249233	0.391245204	2.376490345	1.649695937	1.831313893	1.627427498	0.793067874	0.682446276	1.628792587	1.248225723	0.641804409	0.416395549	0.235214678	0.367022551	0.235214678	0.235214678	0.235214678	0.460009859	1.162141123	2.679999933	3.332072082	2.797289101	1.352936906	1.240188214	1.100339387	1.270545365	1.64304865	1.666726039	1.275572013	1.288073646	0.386390825	0.613409902	0.899660613	0.752374709
leucylglycine	3.073679528	3.960578132	5.622013614	6.5703367	4.387387149	5.118808376	5.831347181	7.395596894	0.638153479	0.746763824	0.469992585	1	0.659858018	0.586990234	0.817037173	0.724595565	0.850200991	0.870606805	0.402974184	1.332734872	0.68728823	2.110476204	0.570065501	0.748562155	0.402974184	0.813115029	1.203633697	0.978752814	0.402974184	1.200014763	1.006092958	0.929129933	1.578172515	1.762728141	1.897135963	2.193986445	0.402974184	0.402974184	0.57441139	0.402974184
2-O-methylascorbic acid	3.468383087	6.203119689	3.132854332	6.446097237	6.476471514	3.298149003	3.812949335	3.822329019	1.092061707	1.122477644	0.881261218	1.182490352	0.7353805	0.753944316	1.05918673	1	1.356621562	1.417330407	1.525012059	1.252093357	0.790102388	1.307924323	0.690039162	0.661166162	0.135542829	0.442295212	0.52421636	0.45138178	0.407069652	0.348843291	0.19887562	0.296921912	0.676719079	0.771032506	0.716034638	0.692886417	0.326076866	0.223335045	0.225538414	0.264667485
N6-methyllysine	3.461989172	3.739831584	2.693137921	5.602258245	5.538355034	4.02997924	2.306192006	5.586819942	1.060276693	1.007401003	0.877444967	0.674748078	0.501370663	0.474508363	0.744519208	0.79163175	1.224995177	0.459916352	1.076981924	0.66173628	0.311812152	1.328631452	0.759004914	0.524575978	0.330406787	1.3552739	1.805645507	0.977425163	0.311812152	0.540149002	0.311812152	0.605259067	0.423007784	1	0.483201287	0.736657772	0.311812152	0.311812152	0.311812152	0.554997678
2'-deoxyadenosine 3'-monophosphate	5.385686818	4.448588238	10.17945637	9.375018334	3.63713166	4.370853239	8.211361536	6.983174494	0.020250535	0.020250535	0.020250535	0.020250535	0.020250535	0.020250535	0.068655294	0.076104059	1.281594749	1.239299192	1.504770519	1.207108986	1	0.562283099	0.605972378	0.776630836	0.020250535	0.025193814	0.020250535	0.028256092	0.166616113	0.297776031	0.155203489	0.223418697	0.266597097	0.293976916	0.719736156	0.740309662	1.400921844	2.138377938	1.92723565	1.461261974
imidazole propionate	0.480611009	0.505125132	0.480611009	0.480611009	0.744444734	0.480611009	0.480611009	0.487075077	1.111266618	0.861892405	0.716820816	0.986033616	0.480611009	0.480611009	1.093962764	0.663794116	0.480611009	0.740519854	0.480611009	0.689477208	1.48485091	1.146563569	0.558869371	1.614044978	0.672375342	1.775431195	2.297647425	1.886374152	0.480611009	1.07418218	0.92624888	0.480611009	1.151965784	1	1.174019648	0.957894513	0.480611009	1.228611223	0.833705968	1.022154768
phenylalanylglycine	9.143303118	8.645660733	8.484070792	17.05003785	8.458207703	6.07564374	12.34871105	12.24304828	0.655714439	1.00430113	0.698056402	0.766096548	0.538581394	0.509003237	0.744372835	1.075740165	0.839898183	0.99569887	1.728962629	1.184689386	0.581224615	1.026400134	0.631633624	0.737004679	0.403814319	1.114726127	1.300677643	1.654186736	0.688281814	0.532838767	0.473589676	0.693138155	1.922530214	1.52206854	1.98625145	3.811060434	0.35355432	0.467760961	0.35355432	0.545187072
phenylalanylalanine	3.413024227	1.953164456	6.375308574	5.13156229	2.315681208	4.240656702	5.396587045	6.982179298	0.225990635	0.301231428	0.225990635	0.290451106	0.225990635	0.225990635	0.225990635	0.225990635	0.225990635	0.225990635	0.225990635	0.225990635	0.225990635	0.225990635	0.225990635	0.225990635	0.225990635	0.311343825	0.718879523	0.641321139	0.225990635	0.225990635	0.225990635	0.225990635	0.907819426	0.577450436	0.61445336	1.092180574	0.225990635	0.225990635	0.225990635	0.225990635
tyrosylglycine	1.107078129	0.906655645	1.093344355	1.860090518	0.627701952	0.835546937	1.321402488	1.729361743	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.106396598	0.243265879	0.106396598	0.106396598	0.106396598	0.106396598
valylglycine	2.955043302	1.355374872	4.566503516	3.695425779	2.289806794	3.493487653	3.769863802	5.840981901	0.038638362	0.038638362	0.038638362	0.038638362	0.038638362	0.038638362	0.038638362	0.038638362	0.038638362	0.085212289	0.038638362	0.080961949	0.038638362	0.038638362	0.038638362	0.038638362	0.038638362	0.054642859	0.038638362	0.038638362	0.038638362	0.038638362	0.038638362	0.038638362	0.230732954	0.247073551	0.260634153	0.644625128	0.038638362	0.038638362	0.038638362	0.038638362
mannonate*	0.612061647	0.927454443	0.457292294	1.268396475	0.80042705	0.457292294	0.634537872	0.785545803	1.124763479	1.006581591	1.428953982	1.153442967	0.761986118	0.772601671	0.993418409	1.161221992	1.206084202	0.768482293	1.063772139	0.951122836	0.490863816	1.154793993	0.76954858	0.489775205	0.515207041	1.530409969	1.91751786	1.190713947	1.355722354	2.585205664	0.543152091	0.98252774	1.614719626	1.350154844	1.089363473	1.212110998	1.200672414	1.696012345	0.652352159	0.77183959
pterin	0.749872167	1.380153841	0.663019444	1.260536663	1.427750987	0.679979322	0.607490198	0.829373186	1.423638448	0.901523157	1.02018187	1.199021356	0.821034545	0.946899358	1.422519024	0.884470767	1.135710072	1.10490579	1.311727828	0.957683611	1.174177628	1.93337031	1.003926625	1.126931917	0.483866622	1.277762254	1.366007938	1.090999566	1.003314328	1.262882998	0.744908276	0.461577353	1	0.834440411	0.675053199	0.461577353	0.646938647	0.746507558	0.818321457	0.607691407
sphingomyelin (d18:1/14:0, d16:1/16:0)*	0.121949381	0.117962246	0.117962246	0.213280623	0.117962246	0.117962246	0.122319455	0.130506983	1.185248151	0.964480118	1.204100507	0.965590077	0.654311261	0.539519645	1.006272724	0.945707803	1.448439908	1.144827676	1.8235302	1.116466604	0.931011079	1.194013811	0.863473056	1.153083472	0.477174366	1.162956526	1.571223449	1.013854438	1.055982377	0.910126988	0.794846513	1.166188552	1.64489267	1.603782158	1.499690213	1.457074944	0.679058006	1	0.884881503	0.94673707
sphingomyelin (d18:2/16:0, d18:1/16:1)*	0.267472849	0.383439357	0.364591995	0.551576346	0.375690401	0.254063626	0.391651327	0.306963335	1.399121814	1.154373924	1.476992528	1.189252862	0.634250586	0.529614996	1	0.828980862	1.578901289	1.330828115	2.007301724	1.288498022	0.862959802	1.17982573	0.766086834	1.009205166	0.587481167	1.36150597	1.7873159	1.234180056	1.411416733	1.168982937	0.996373064	1.461937317	1.722948984	1.751952144	1.549780409	1.530382755	0.638833176	0.846000187	0.954190255	0.87954516
N-monomethylarginine	3.943515349	3.132730892	1.972795435	4.504930017	1.254009097	1.974235345	3.208065752	3.942758294	0.346679965	0.733132359	0.361004481	0.261071763	0.180418479	0.180418479	0.180418479	0.180418479	0.180418479	0.180418479	0.180418479	0.414633713	0.180418479	0.180418479	0.279240046	0.180418479	0.324870782	1.138059265	1.437592975	1.080518582	0.180418479	0.180418479	0.180418479	0.180418479	0.68780508	0.597649295	0.640399388	1	0.180418479	0.180418479	0.180418479	0.180418479
methionine sulfone	0.994939089	1.525426899	0.686397277	1.498535619	1.73206269	0.958325809	1	1.237148455	1.492969575	0.8084864	1.030222375	0.771544262	1.163992009	0.586198514	1.116493881	1.535364816	0.833481185	1.128751626	1.001259852	0.603833735	0.856573573	1.506611503	1.150476722	0.889056783	0.350360342	0.94528162	1.820381986	0.845818624	0.860765541	0.350360342	0.350360342	0.882238949	1.112591675	1.056005669	1.15785972	0.989978925	0.477498466	0.350360342	0.821278948	0.505598146
S-nitrosoglutathione (GSNO)	0.422088205	0.422088205	0.422088205	0.422088205	0.422088205	0.422088205	0.422088205	0.422088205	1.682040017	1.209531365	0.984334607	0.990742666	0.715616392	0.966088966	1.009257334	1.21859281	0.639347965	0.422088205	0.422088205	0.422088205	0.422088205	0.422088205	0.53028434	0.422088205	0.422088205	1.127200197	2.050362616	1.171957446	0.422088205	0.422088205	0.422088205	0.422088205	0.870627308	1.282040337	0.850062155	1.25500307	0.422088205	0.422088205	0.422088205	0.422088205
1-(1-enyl-oleoyl)-GPE (P-18:1)*	0.20277084	0.20277084	0.20277084	0.20277084	0.20277084	0.20277084	0.20277084	0.20277084	1.699235009	1.644934764	1.398811361	1.026473878	0.667259941	0.61181994	1.445512473	0.940350586	0.53277467	0.512717643	0.20277084	0.339559258	0.20277084	0.20277084	0.20277084	0.20277084	0.536248779	1.491740249	1.976253484	1.216287553	1.451719562	0.973526122	0.917508507	1.106353626	1.72427289	1.925451718	1.324693844	1.40987225	0.328283796	0.511194697	0.541086379	0.353603281
fructosyllysine	0.759443535	0.914130884	1.031409736	2.104792502	1.287555906	0.853714836	0.875103644	1.401277345	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.968590264	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535	0.759443535
N-acetylmethionine sulfoxide	3.546008329	3.812803905	3.137567461	5.610562542	2.602535103	2.182033747	3.102433316	3.640379686	0.449221114	0.449221114	0.449221114	0.449221114	0.449221114	0.449221114	0.449221114	0.449221114	0.449221114	0.449221114	0.449221114	0.765459546	0.449221114	1	0.69388178	0.449221114	0.449221114	0.449221114	0.65823664	0.692272823	0.449221114	0.449221114	0.449221114	1.105650133	0.968028467	0.476683917	0.828209836	0.791343363	0.449221114	0.449221114	0.449221114	0.449221114
N-acetyltaurine	2.627980342	3.298974995	2.223968495	3.168255976	3.890619469	2.718215431	2.804801909	2.632368765	1.397830154	1.006786927	1.101126967	1.098467769	0.813406695	0.717805192	1.267195313	1.021424896	1.394633751	1.246707261	1.411000323	1.233254405	0.617215141	0.691147372	0.543492682	0.498740398	0.341189897	0.832999889	0.993213073	0.919157102	0.603847025	0.610698423	0.474382823	0.469437633	1.090639133	0.976378639	0.894081325	0.939647578	0.30090017	0.345213056	0.321378137	0.349320042
sphingomyelin (d18:1/24:1, d18:2/24:0)*	0.878045561	1.289462297	0.931926655	1.805764244	1.594089596	0.934252536	1.257236446	1.052196452	0.763285042	0.645028931	0.747683289	0.664050075	0.690552763	0.64842149	1.019686548	0.90621451	1.330968805	1.217387125	1.69101761	1.251230598	1.100984279	1.489419217	0.944472478	1.135021302	0.194374314	0.561225048	0.64060265	0.482071446	0.973201782	1.160850675	0.798748384	0.980313452	1.428767803	1.417046841	1.238113998	1.270888606	0.828573139	1.20111603	1.109750894	1.168281662
arabonate/xylonate	1.324427256	2.063542936	1.508368484	3.145447178	2.90302006	0.29014551	1.955545425	2.44715477	0.731449008	0.852251119	1.033507809	0.758031665	0.29014551	0.29014551	1.02411546	0.85464783	1.063591222	0.632083559	0.97588454	0.72948743	0.29014551	2.144892311	0.927674048	0.561474071	0.29014551	0.635470861	0.445005005	0.618638402	0.29014551	0.29014551	0.29014551	0.29014551	0.29014551	1.041715587	0.29014551	0.860851043	1.08492178	1.222655428	0.334740748	0.29014551
ribulose/xylulose	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	1.753651089	1.191420446	1.427085938	1.045754548	0.293062033	0.293062033	0.827099984	0.783188721	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.896181227	1.653367633	0.954245452	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033	0.293062033
4-hydroxy-nonenal-glutathione	1.079231504	1.538666428	1.037904696	1.97636836	0.132934792	0.132934792	1.1300323	1.244075152	0.132934792	0.132934792	0.132934792	0.496810931	0.603235348	0.476871692	0.656841869	0.132934792	0.587530867	0.952006775	1.127949845	0.875533402	0.132934792	1.291842616	0.649407186	1.113729422	0.132934792	0.132934792	0.614426081	0.41392625	1.350635438	1.186080663	1.105905414	1.870605312	0.689125737	0.665227189	0.827011088	0.637227465	0.962095304	1.64575555	1.07415479	1.338262073
sphingomyelin (d18:1/20:0, d16:1/22:0)*	1.032811144	1.420157509	1.307323881	2.348125842	2.122497633	0.973756394	1.408445562	1.198635062	0.867306775	0.707921543	0.915160295	0.823838451	0.747319388	0.590917961	1.139035583	0.864604256	1.172642879	1.001010952	1.673762554	1.214302295	1.047052568	1.284994286	0.911187254	1.026010231	0.22794095	0.697965141	0.70802613	0.601120499	0.854305461	0.784498143	0.74276325	0.849538362	1.164809506	1.220060857	1.096054207	1.100243613	0.738407629	1	0.967529124	0.91239203
behenoyl sphingomyelin (d18:1/22:0)*	0.824703583	1.157087549	1.068952696	1.986880245	1.523451947	0.759219714	1.224900057	1.026977405	0.810634411	0.750408153	0.976410182	0.829086852	0.702652021	0.512778468	1.062042425	0.860542611	1.181207127	1.037559189	1.857119076	1.181744739	1.078810201	1.089606868	0.921622734	1.023589818	0.245552599	0.700808633	0.855950233	0.66503264	1.203659404	1.168562696	0.92652657	1.218944899	1.209743725	1.223305007	1.127843325	1.177302	0.80827312	0.955173801	1.145655886	1.137862274
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	0.535915403	0.991474477	0.511010275	1.159743518	1.137964321	0.654199815	0.926109024	0.704118236	0.872250721	0.849909582	1.00095551	0.855263738	0.85585285	0.70927288	1.219959866	0.852313802	1.532522727	1.531354183	1.904153119	1.393664718	1.283669579	1.644817077	0.992314031	1.256796233	0.237180471	0.771380779	0.791871511	0.632705531	1.422348154	1.384728669	0.99904449	1.152352391	1.446546318	1.580581225	1.213862545	1.258545939	0.87101691	1.203435815	1.183798106	0.947081338
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*	1.354448037	2.128387884	1.280330415	2.430862736	2.343529651	1.468987198	2.109717283	1.674630374	0.851996986	0.726558612	0.779183655	0.780221595	0.904922754	0.858974061	1.33096337	1.311488274	1.54008809	1.662415689	1.93281611	1.457345503	1.800681823	2.286137654	1.398604122	1.654890119	0.12080567	0.339525827	0.12080567	0.278680429	0.474354672	0.828065582	0.744104035	0.667983998	0.840181673	1	0.726214713	0.826251264	0.761857679	1.133583423	0.967198887	0.831262767
lignoceroyl sphingomyelin (d18:1/24:0)	0.749655837	0.892068979	1.083108056	1.844089157	0.803083338	0.589924588	1.090081288	0.967589153	0.902036758	0.724403995	0.883625892	0.803077232	0.42147937	0.303845849	0.788883855	0.623196709	1	0.822070699	1.452329785	1.063325877	0.596555419	0.605663164	0.577592473	0.771206339	0.481656147	1.415328163	1.66795186	1.262334665	1.278773936	1.278041576	1.024356751	1.274279701	1.794155297	1.599271238	1.387771565	1.438921253	1.101289363	1.231776543	1.387258778	1.52217771
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	0.402493506	0.605259302	0.579062693	0.8799229	0.649985975	0.454531797	0.695810093	0.566269826	1.263107582	0.998493081	1.332357126	1.084543821	0.624743113	0.53550559	1.12429681	0.982364482	1.453474556	1.203748699	1.812919343	1.218301044	0.799767015	1.306020733	0.780362415	0.928713494	0.481268163	1.210506719	1.578986536	1.052413452	1.251562569	1.058049638	0.879668481	1.008265517	1.86439927	1.687047308	1.662913279	1.620696527	0.521398008	0.928810556	0.95493351	1.001506919
arabitol/xylitol	1.393403699	2.081951979	0.774474198	1.798700528	2.151246684	1.169317227	1.20531802	1.635453228	1.077923641	0.91706032	0.859287021	0.823063071	0.614269558	0.543080916	0.757450134	0.705579599	1.382302876	1.227015787	1.389598897	1	0.244718477	0.244718477	0.597803056	0.57859208	0.244718477	0.737035227	0.895460971	0.635676793	0.285808486	0.244718477	0.244718477	0.287261422	1.43357462	1.391960951	1.313600281	1.216844024	0.244718477	0.244718477	0.346139897	0.319486604
N-acetylglucosamine/N-acetylgalactosamine	0.71430933	1.016536015	0.607976491	1.008866883	1.169337494	0.556680236	0.687966159	0.675057734	1.029802902	0.88163834	1.055606159	0.884072911	1.248716224	1.064710727	1.449074725	1.790190807	1.131223275	0.841476456	1.200113731	0.882817878	1.165722682	2.035606871	1.116708018	1.184854999	0.459267675	1.296201361	1.764290127	1.201896397	1.129297217	1.104770214	0.668419307	0.991133117	1.114334486	1.14948643	1.023833327	1.033864894	0.57107333	0.902606388	0.803543981	0.972976128
1,2-dilinoleoyl-GPC (18:2/18:2)	2.508822539	4.086668479	2.352935616	5.003229207	3.964001876	2.730602332	3.096819756	3.17839262	0.59204803	0.608665551	0.746952967	0.533769428	0.775809162	0.707373724	1.09848948	1.17190037	0.963053555	0.906861346	1.434321677	0.912074956	1.24472807	1.747968737	1.036946445	1.28941482	0.055253229	0.243528606	0.328900868	0.183582432	0.729838914	0.613243627	0.519633608	0.719608693	0.491757266	0.463435714	0.437602701	0.447111872	0.453627305	0.62502451	0.530675411	0.558776955
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	0.433996562	0.613329107	0.446230907	0.794215309	0.683768074	0.365586532	0.580656778	0.458136303	2.240615804	1.71844373	1.811964257	1.603643307	0.841414013	0.707496502	1.18762932	1.018640819	1.11269632	0.937501975	1.173167902	0.954029849	0.647595463	0.863441529	0.590444466	0.791939674	2.281832245	5.967191673	6.984292642	5.134862996	2.716401457	2.580632259	1.847499843	2.432563077	2.684903087	2.720925015	1.908190684	2.1257689	1.292706993	1.960428035	1.899270407	1.950284073
1,2-dioleoyl-GPC (18:1/18:1)	0.242383156	0.242383156	0.242383156	0.242383156	0.242383156	0.242383156	0.242383156	0.242383156	1.176770984	0.810054796	1.116633855	0.884745241	0.325079109	0.318352626	0.436693418	0.498651337	1.118382119	0.708310252	1.026848176	0.851463549	0.551281737	0.58977694	0.321627441	0.487871767	0.987600112	1.772525439	2.727005559	2.21192983	1.609113308	1.691955597	0.67538704	1.123802096	2.657204006	2.724075384	2.107054941	1.645933316	1.012399888	1.387485794	0.780995625	1.29495248
1,2-dioleoyl-GPE (18:1/18:1)	0.180935935	0.180935935	0.180935935	0.180935935	0.180935935	0.180935935	0.180935935	0.180935935	1.294861309	1	1.289424665	0.832372934	0.532695295	0.31376396	0.782998565	0.661389592	1.338062415	1.063005326	1.065902285	0.95943008	0.673742437	0.180935935	0.180935935	0.697808832	0.682884147	2.028999877	2.364748204	1.834333383	1.77988609	1.288840773	0.715671846	1.141923393	3.616414683	4.021654763	2.543820913	3.110561439	1.009103181	0.180935935	0.9575646	0.180935935
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	1.64874926	2.339130925	1.71169813	3.164859646	2.25064802	1.355590955	1.938222795	1.652896089	0.58930375	0.614584835	0.781713816	0.590530163	0.837131708	0.615775328	1.118269035	0.955984518	0.711706634	0.70531583	1.260529258	0.774163633	0.891286852	1.140017903	0.803422733	1.07677972	0.103192644	0.274594005	0.33228605	0.267314214	1.044015482	1.224120392	0.919405376	1.207120215	0.409644379	0.437999354	0.403073143	0.408233137	0.681139985	0.868189197	0.911586738	0.875939679
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	0.910786374	1.338736929	1.056440073	1.977024355	1.424468342	0.720720538	1.230935622	0.923110716	0.726716356	0.744704169	0.996875139	0.700506363	0.88806091	0.74008537	1.20204969	1.179460718	0.894847893	0.75782274	1.221356781	0.78201674	0.975067334	1.249600987	0.866749511	1.095524663	0.130057181	0.355551459	0.446410366	0.301558039	1.494632284	1.582956767	1.067327872	1.603082004	0.482109153	0.591043533	0.483297049	0.498234601	0.857303537	1.186244681	1.173008463	1.208549188
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	1.174329625	1.500585157	1.252369452	2.270991251	1.510021536	0.809860751	1.283938783	1.01745797	0.741399492	0.710387314	1.002561488	0.67417793	0.776911293	0.699130291	1.195752884	1.032607762	0.782563126	0.572405681	1.066557157	0.760117841	0.765059739	0.997438512	0.713832942	1.014779134	0.136060126	0.30856595	0.408472828	0.30833266	1.236568068	1.492189728	1.100496292	1.46750379	0.389537902	0.369951098	0.350944513	0.338345338	0.688301521	0.929857748	0.888877281	0.867729734
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	0.068248237	0.181832772	0.093647595	0.200849113	0.152271198	0.222809354	0.516513947	0.204892258	1.947568643	1.610144604	1.725279348	1.392007902	0.574162547	0.411148816	0.717502241	0.674011322	0.507673624	0.342276876	0.333729876	0.279206707	0.239265593	0.068248237	0.149455087	0.166296876	2.967538105	7.02688386	10.77252513	6.024170481	6.040264774	3.935825645	3.335254691	5.072111953	2.978867395	2.801129697	2.326883139	2.320294381	1	1.524540056	1.356949356	1.783548818
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	0.440147222	0.943258151	0.611175853	0.801688738	0.228758628	0.644139425	0.966370106	0.72244605	1.007000468	0.846944975	1.209817171	1.11887511	0.799446792	0.628684714	1.273283114	1.009849065	1.099583787	1.337421793	2.066441711	1.405347073	0.982468019	1.53243213	1.02463405	1.206637736	0.228758628	0.67623614	0.710653367	0.707448883	1.007935659	0.734382145	0.972893942	1.417084943	1	1.348315551	1.290348973	1.240847022	0.656005876	1.289501844	1.119880898	0.913034608
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	0.641890429	0.809937955	0.618120491	1.148784456	1.009437035	0.582697749	0.844684943	0.736367918	1.202369189	0.936631319	1.039396359	0.960219245	1.40672992	1.257816831	2.048722721	1.671535024	1.125368168	0.957116094	1.299490153	0.993022959	1.180458853	1.64497787	1.090583761	1.355781513	0.409209353	1.112714648	1.390324034	1.023816107	1.432088051	1.747427729	1.423077424	1.541093397	0.943773389	1.011208361	0.81208392	0.810199326	0.691307087	1.142170615	1.0803668	1.006977041
1-palmitoleoylglycerol (16:1)*	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.910788996	1.089211004	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.666382914	1.236640628	1.222276868	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172	0.631739172
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	0.480605703	0.690069263	0.449438118	0.9265133	0.986399107	0.542940815	0.725007567	0.622540396	1.127040692	0.857879834	1.013600893	0.934043459	1.650803489	1.541481168	2.912527503	2.025495723	1.59692629	1.2632047	1.755202005	1.320582804	2.123486483	2.889254497	1.80178706	1.973504934	0.285178001	0.784292966	0.784867042	0.718279059	1.327630557	1.800872062	1.476149373	1.548324443	1.320043053	1.318706103	0.976781322	1.125295589	1.106540236	1.628536001	1.597791927	1.366049239
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*	0.355213039	0.86915443	0.456162382	0.72055452	0.509628519	0.691226181	0.676278345	0.585349271	1.165172928	1.13284483	1.330972968	1.081088208	0.576478426	0.545532346	0.982386779	0.707399611	2.044083684	1.937511829	2.471179296	1.749750897	0.781112454	0.987604542	0.914061838	1.171481334	0.291957823	0.909716054	1.012395458	0.799614372	1.055850384	1.100747384	0.819980266	1.14985273	2.217550139	2.461277363	2.23483694	2.062292749	0.874709486	1.28822408	1.086715765	1.171782226
sphingomyelin (d18:2/24:1, d18:1/24:2)*	1.14803313	1.72131731	1.036150673	1.997346546	1.989839304	1.153139164	1.519239136	1.299059469	0.737929332	0.645814227	0.691953299	0.645408858	0.75103526	0.704648609	1.214291009	0.990977676	1.28569667	1.21900134	1.618396024	1.222752367	1.227721624	1.788072808	1.124533587	1.290951101	0.136891348	0.400405332	0.390390184	0.343696907	0.686772989	0.943435777	0.669878785	0.772207637	0.900758066	1.009022324	0.819464571	0.826366766	0.642304005	1.024189526	1.041512762	0.963828749
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	0.808611937	1.21346824	0.792284179	1.564218817	1.490620408	0.903934921	1.277863691	1.043246063	0.958359743	0.808301242	0.802954074	0.795050768	1.013794573	0.982454407	1.332000853	1.314171968	1.127974869	1.000380621	1.415827727	0.999619379	1.214131971	2.229236843	1.231964066	1.501588714	0.171166025	0.486406238	0.556252599	0.365058771	1.377692339	1.919866858	1.308080906	1.56190025	0.884855987	0.875568129	0.890110477	0.769688604	1.1481541	2.411541041	1.680405127	2.252374739
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	0.932372153	1.310322784	0.892432523	1.759885442	1.697529144	0.911955064	1.175290428	1.016850779	0.861924852	0.624310413	0.826152682	0.73454869	1.016900682	0.885912142	1.407845767	1.304046672	1.211880967	0.959124305	1.450764844	1.098741896	1.320488589	1.78338745	1.085855998	1.416405165	0.143545801	0.376952436	0.477324629	0.365511131	1.212582621	1.501342249	1.019099377	1.260209943	0.769851187	0.80145078	0.787047362	0.727598548	0.915139619	1.358207992	1.138887541	1.268234209
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	1.761351056	2.47513031	1.848962902	3.441252104	2.737704264	1.562131456	2.183499986	1.93468162	0.578699585	0.677376774	0.632916705	0.526774384	0.744574536	0.663525753	1.071237937	1.006170214	0.453238949	0.648400494	0.790077909	0.503081667	0.662193658	1.185015049	0.70946036	1.011176191	0.375934392	0.621523781	0.678745255	0.375934392	0.999486913	0.832852995	1.119538666	1.245961353	0.375934392	0.375934392	0.375934392	0.593927739	0.375934392	0.674442466	1	0.653901501
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	1.029689107	1.625044341	0.965807064	1.93743469	1.887695845	1.232178046	1.484961159	1.329227456	0.708829694	0.615872075	0.785734969	0.594316069	0.742330156	0.715878709	1.054794689	0.999038514	1.111089027	0.944658265	1.287421332	1.001513002	1.000961486	1.552652016	0.867673822	1.191778008	0.171647567	0.399321206	0.52579789	0.376437865	1.055789341	1.174225038	0.859462128	1.111500812	0.729484817	0.819842274	0.703694099	0.67147101	0.661422619	1.069854404	0.834659887	0.964537472
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	0.36986118	0.541827884	0.302339249	0.640012888	0.597167838	0.360240855	0.465096384	0.389686289	1.541816423	1.259809489	1.449000621	1.18407405	0.861754871	0.652051261	0.984073261	0.967651636	1.447090411	1.179272803	1.366101347	1.14580019	0.811925454	1.066528926	0.690010934	1.015926739	0.629763196	1.622678844	2.196616538	1.507819658	2.418942192	2.240865993	1.348304077	1.953374259	2.307666214	2.471336024	1.943220579	1.977263394	1.471122772	2.120285112	1.888635673	1.966774578
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*	0.858632742	1.368436843	0.80129545	1.832150079	1.278921257	0.80767488	0.959483366	0.804035335	1.008018491	0.798245751	1.00380598	0.88004909	0.976930494	0.81557256	1.17010127	1.337708836	1.198603374	0.99619402	1.679104708	0.888834912	1.192590032	1.407805834	0.827331149	1.40933245	0.180358169	0.448368744	0.589554027	0.437354872	1.659866609	1.850980117	1.052665547	1.561664375	0.75036727	0.719680691	0.796889402	0.734497981	1.108344707	1.382677858	1.246180413	1.26811996
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	0.594363153	0.907025233	0.580044573	1.181307026	1.111483411	0.648530469	0.838176747	0.717373261	1.102691331	0.896752331	1.001673898	0.90060452	1.216358094	1.024845369	1.559571797	1.518397271	1.321362308	1.093047773	1.47491172	1.110349595	1.394460018	1.815019882	1.104735221	1.631469518	0.166102664	0.434771049	0.522569678	0.398540093	1.462372578	1.714375586	1.208621009	1.387313205	0.997359046	0.998326102	1.010581987	0.95343485	1.221463715	1.654149605	1.452609962	1.453305388
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	0.817595198	1.225386523	0.801498327	1.513765527	1.331530722	0.727091447	0.972330133	0.861215926	0.784996861	0.709163352	0.844214292	0.6894908	1.100142457	0.830819501	1.313572635	1.294174645	1.090708902	0.977810432	1.532294612	1.030483857	1.201068377	1.563435054	1.068434556	1.392488935	0.103928915	0.294336855	0.362551947	0.292957729	1.065134916	1.116699128	0.826806799	1.087117895	0.520811713	0.657367629	0.612965474	0.549883963	0.818389554	1.080306233	1.01060513	1.058438489
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	0.968470938	1.390353671	0.991450353	2.084015716	1.63101981	0.801319459	1.168019632	0.984378744	0.727780612	0.631290949	0.857803423	0.670914566	0.969654337	0.793517163	1.145680288	1.193104837	1.008549647	0.8355157	1.474078472	0.980845353	1.143478149	1.531269258	0.884260289	1.135708795	0.11442493	0.289364617	0.373849342	0.311556618	1.134844419	1.243418966	0.885487287	1.089763338	0.537887588	0.595953134	0.644502245	0.593223446	0.791383174	1.154862784	0.943030144	1.142347054
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	0.700460478	1.031412244	0.649038048	1.391590741	1.306514267	0.379556202	1.193649569	0.82403538	0.694941886	0.749014348	0.922863794	0.764350192	1.749421023	1.488065689	1.913899143	1.851536988	0.737454496	0.725123588	0.515792952	0.788327094	1.234965019	1.42939452	1.085646966	1.43648904	0.17519643	0.494587792	0.454634263	0.45518719	2.639523728	3.394773871	2.626471035	2.663955196	0.513346354	0.968587756	0.701145931	0.606090374	1.660110041	2.432738859	2.552215262	2.532434223
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	0.934159908	1.251055589	1.252413825	2.190946095	1.431224175	0.772552352	1.3555135	1.0549076	1.008549787	0.766474344	0.891255711	0.868315462	0.749415391	0.645039082	1.129240521	0.991641103	0.934104604	0.743999354	1.218260954	0.834724775	0.84612696	1.192164223	0.704697287	0.858712553	0.426956667	1.169396969	1.356383228	1.157723056	1.505541354	1.612053198	1.168878966	1.55197582	1.195881291	1.010809904	1.012606198	1.010641371	0.850121331	1.296541835	1.204616715	1.385676349
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	0.94875873	1.292740461	0.965411177	1.781862038	1.450490814	0.822241301	1.130271603	0.930843334	1.01376443	0.804178374	0.913490621	0.807910446	0.791163324	0.710230795	1.161586563	1.051115673	1.084250106	0.797317655	1.182181913	0.867028973	0.923094085	1.248810128	0.810307728	0.953020844	0.386041424	0.984807891	1.225746262	0.931830611	2.124101217	2.403062939	1.567349244	2.188334816	1.231037559	1.151053869	1.117826944	1.037743321	1.195963001	1.683083145	1.55257379	1.694305834
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	0.41952541	0.66700933	0.339132783	0.692831491	0.785826904	0.482887389	0.655162597	0.498144683	1.43595614	1.121342864	1.387317585	1.114448808	0.707221765	0.602689123	0.845055572	0.858417864	0.978542747	0.775133593	1.104512412	0.835264336	0.657041288	0.928449028	0.502690639	0.698275904	1.293593878	3.226250158	4.477857174	2.740265244	4.490523945	3.627810005	2.347564323	3.515575902	1.998977428	1.886251482	1.802001772	1.542919831	1.171973491	1.80138356	1.499466877	1.905235997
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	1.046547809	1.168046565	1	0.708223576	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	0.520678489	1.446227134	1.920228288	1.148290826	0.520678489	0.842135177	0.923313881	0.520678489	1.206158515	0.520678489	0.75292847	0.754216227	0.520678489	0.520678489	0.520678489	0.520678489
sphingomyelin (d18:0/18:0, d19:0/17:0)*	0.547098169	0.695237849	0.542203319	1.00397748	0.755600708	0.426475494	0.659210386	0.548180058	1.019515776	0.68212445	0.880518502	0.814865581	1.166247963	0.95985529	2.556576447	1.458809795	1.244580561	1.102497957	1.574888093	1.315775066	1.341440687	1.579771705	1.217926097	1.373478542	0.245391478	0.680455579	0.724859947	0.632519205	0.88099337	0.945713104	1.240096515	1.063189933	1.187092649	1.154971037	0.798043067	1.083548056	0.874542573	0.99602252	1.166543841	1.131255993
N-palmitoyl-sphinganine (d18:0/16:0)	0.578201866	0.807101774	0.199668411	0.967698824	0.930920726	0.34625578	0.774989617	0.588307138	0.695804737	0.695418946	0.771345909	0.538288522	3.399607888	2.981561992	4.217704439	3.643427029	1.037260043	0.659225459	1.060411493	0.871559465	1.647449758	2.853754934	1.911557777	1.673494941	0.456690026	1.220117941	1.38518193	1	8.037969458	10.04197893	8.509492857	9.465266691	0.760009927	0.931734228	0.5650383	0.736054978	1.784185763	3.237917685	2.899350019	2.681675568
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	0.12994061	0.12994061	0.12994061	0.12994061	0.12994061	0.12994061	0.12994061	0.12994061	0.529255447	0.319162098	0.517472318	0.473567068	2.390403883	1.882134819	2.968130144	2.882583588	0.12994061	0.12994061	0.12994061	0.12994061	0.602800681	1	0.598873501	1.025649596	0.12994061	0.342402849	0.725981003	0.311106127	7.996576178	10.58491395	6.320505725	8.95550043	0.12994061	0.1300844	0.21908172	0.199181605	2.030637316	3.990913534	2.453049083	3.218117897
(3'-5')-adenylyluridine	0.315001942	1.201683698	0.315001942	1.927312495	1.347683706	0.315001942	1.073317319	1.297136181	0.591687363	1.040907714	1.428680128	0.95740178	0.651102229	0.791184193	1.414809545	1.730220413	0.98077053	0.315001942	0.933761439	1.01922947	0.315001942	0.315001942	0.904044393	0.315001942	0.315001942	0.921024096	1.631407048	1.316364118	0.315001942	0.315001942	0.695967714	1.241397533	0.402912453	0.655208651	0.315001942	0.854539988	0.315001942	0.315001942	0.315001942	0.315001942
(3'-5')-adenylylcytidine	0.158219994	0.158219994	0.158219994	0.158219994	0.158219994	0.745652338	1.200292275	1.342809041	0.158219994	0.485110588	1.209509514	1	0.158219994	0.158219994	1.048402323	1.211189001	0.158219994	0.158219994	0.158219994	0.54795248	0.158219994	0.158219994	0.158219994	0.158219994	0.158219994	0.452207951	1.174810485	1.020465721	0.158219994	0.158219994	0.158219994	0.670815895	0.158219994	0.158219994	0.158219994	0.299887226	0.158219994	0.158219994	0.158219994	0.158219994
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	0.853489757	1.273902818	0.721729343	1.419428063	1.383259603	0.73520051	1.065105932	0.983072557	1.013713829	0.811417201	0.839687369	0.792645629	0.725801673	0.675519535	1.035555097	1	1.022622977	0.855990385	0.984032498	0.823028006	0.813266083	1.222737886	0.743507065	0.972201231	1.003708154	2.239630646	2.924649394	2.146859588	3.329059529	3.496261447	2.5624816	3.3168779	1.833025832	1.809281426	1.461190437	1.536025307	1.361411343	2.184378022	1.898172945	2.064416027
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*	1.371564534	2.144744167	1.199278826	2.521860862	2.402020539	1.451593013	1.768033425	1.551451384	0.849151624	0.789209068	0.921015331	0.732311419	0.780630019	0.67694505	0.967142202	0.965595873	1.049253331	1.024958048	1.599839152	1.007387767	1.154807691	1.543423673	0.883911109	1.176104977	0.186570706	0.453442047	0.620146672	0.429207786	1.141728348	0.992612233	0.746527714	0.982456717	0.757561002	0.83131262	0.656016084	0.738231835	0.574864669	0.822798892	0.730084782	0.789437618
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	0.407641143	0.642824975	0.432213379	0.911067509	1.112478596	0.576941512	1.017572451	0.569655823	0.864077573	0.982427549	0.85722802	0.893538044	0.973033279	1.019201381	1.319746548	1.217318579	2.130404381	1.503085136	1.332777809	1.681811029	1.555440549	2.794204905	1.273872181	1.844304255	0.209655166	0.785200643	0.54919562	0.670550007	1.524084284	1.837983943	1.131520437	1.630585046	1.611245646	2.416378374	1.497897522	1.322811711	1.095196975	2.088963924	1.518389501	2.408589963
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	0.659672343	0.965072899	0.656101844	1.302937958	1.151948937	0.619113126	1.006582054	0.719155092	1.011243677	0.987394377	1.292043047	0.924037594	1.187682281	0.993417946	1.558109645	1.452211282	1.378866494	1.169072939	1.913354069	1.250203411	1.312776797	1.704260697	1.096474447	1.305856537	0.140750866	0.408947019	0.565721549	0.343309997	1.353465332	1.300727337	0.839482146	1.451206887	0.657612805	0.812821829	0.659404115	0.558897706	0.724436722	0.926668969	1.015577838	0.976376982
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	2.517576067	3.850661809	2.70780603	5.315064614	4.318883916	2.702484048	3.390917404	2.800555299	0.578944529	0.499408423	0.725469897	0.523607192	0.915323829	0.815177742	1.137395175	1.160445175	0.838773478	0.755774827	1.335621975	0.763048051	1.201171553	1.615879791	1.084676171	1.265114104	0.047166194	0.111939056	0.123332235	0.104473757	0.499889198	0.551556186	0.488331161	0.585809855	0.230261249	0.233890673	0.259709338	0.228695535	0.270543241	0.395428087	0.311466379	0.349180985
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	1.133625417	1.840356957	0.929889829	2.058546349	1.902752234	1.014310798	1.534349808	1.051160393	0.72772588	0.810722889	0.804269623	0.694819094	0.839501002	0.693242628	1.039634113	0.985365969	1.064960012	0.929407532	1.986627105	1.079685201	1.134319938	1.663076052	1.04987609	1.313971755	0.250731035	0.696750431	0.743755505	0.587774223	1.116317456	1.123688083	0.819758113	1.113154872	0.708871432	0.982465944	0.640953679	0.770408571	0.582166121	0.768335651	0.782132605	0.978403521
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.842946675	1.150301285	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.849698715	2.312147189	3.31245552	1.500202528	0.741016441	0.741016441	0.741016441	0.741016441	0.774477577	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441	0.741016441
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	0.241796252	0.119766111	0.212744529	0.34103634	0.119766111	0.119766111	0.277792957	0.214998906	1.649849076	1.265512178	1.373694051	1.166703168	1.069957206	0.887932255	1.466584873	1.257114229	1.026451753	0.802195322	0.919215977	0.778929531	0.119766111	0.119766111	0.45354577	0.420698933	0.545601915	1.377774733	2.02424613	0.973548247	2.344865313	2.226767228	1.867808823	2.212500877	1.235993143	1.104670161	1.122394707	1.067370103	0.283491934	0.496614475	0.777261667	0.767401617
1,2-dipalmitoyl-GPE (16:0/16:0)*	0.532300996	0.836267525	0.577760991	1.080717981	1	0.664882455	0.953822881	0.767265896	1.179311372	0.936949385	1.155309458	0.884947619	3.584513759	2.840979542	4.379982198	4.015797721	1.701966474	1.799562091	2.673575321	1.623587398	3.326946922	4.908963968	2.615234864	3.437710732	0.162050156	0.440814845	0.607875412	0.416863759	2.638330031	3.472530405	2.412523871	2.66002063	0.894746137	0.931557719	0.785062413	0.786917925	1.547032572	2.626551375	2.110276844	2.09842596
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*	0.309659415	0.417969983	0.339901185	0.667499567	0.526369291	0.483047866	0.626856755	0.511632625	1.12063595	0.894094078	0.959028754	0.842122261	2.255977897	1.841041889	2.766935104	2.538077236	1.101594389	0.950173226	1.570618133	1.040971246	1.645037317	2.279763455	1.391523765	1.857227184	0.238272449	0.603097968	0.788188465	0.513009179	2.142314817	2.404699425	1.975257692	2.171746466	0.68532687	0.694401921	0.530402869	0.565892092	1.084310244	1.6321306	1.646856555	1.629883989
1,2-dilinoleoyl-GPE (18:2/18:2)*	0.682851851	1.334191198	0.765658522	1.688850324	1.272205874	0.935981232	1.046407375	1.145939761	0.700442311	0.978278524	0.612042595	0.617298527	1.027504829	0.749008425	1.189689183	1.238434939	1.345595077	1.46450506	0.954479944	1.218902049	1.563523045	2.43923389	1.519208657	2.312753348	0.129996163	0.211305412	0.386963666	0.163120258	0.716140157	0.992683759	0.690818549	0.831907697	0.71713857	1.282354256	1.050197405	0.658390901	1.007316241	1.418954916	1.205161637	1.346760547
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*	0.518815604	0.874705531	0.484850764	1.011442864	1.114354479	0.623222803	0.789740516	0.6665209	0.944355818	0.82246117	0.977266198	0.830357734	1.159466864	0.996811611	1.424605637	1.414319704	1.583172122	1.28962468	1.780012272	1.311163672	1.437281571	1.894176559	1.10168725	1.651825272	0.139642058	0.363063218	0.483429768	0.345714295	1.351208624	1.573148419	1.029668421	1.2629703	1.059965321	1.087752449	1.130561052	1.003188389	1.025047193	1.32856267	1.093755631	1.141035528
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*	0.984378076	1.536341508	0.892753675	1.617269018	1.667631495	0.986553376	1.255402932	1.133816382	0.806750834	0.784645914	0.932709075	0.714781392	1.112263305	0.911713308	1.410754432	1.311439468	1.499562498	1.441693413	1.974073642	1.37416701	1.539453015	2.013717598	1.25843838	1.510226814	0.085750327	0.26346908	0.3551634	0.24542318	0.940189899	1.085977002	0.79061155	1.013446624	0.712439558	0.900420368	0.856729858	0.727159152	0.741835487	0.895057711	0.968975972	0.942437163
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*	0.83330871	1.460931838	0.881836801	1.776093889	1.55967905	1.005157782	1.259294382	1.131876616	0.878219293	0.800756025	1	0.804378758	1.495017448	1.293404944	2.168228008	1.87048197	1.606537585	1.493456265	1.700790544	1.34088744	2.10242168	2.713208893	1.673995504	2.272989559	0.079285685	0.243931003	0.306327864	0.164255815	1.129965739	1.378504674	0.854509958	1.165946152	0.769688391	0.830175514	0.770920033	0.746053789	0.875845238	1.24791557	1.122327354	1.043802174
thioproline	0.630414225	0.864114959	0.465944314	0.968697776	0.765887	0.469223365	0.564127043	0.609363848	1.685675913	0.957989839	1.008114791	1.326226609	1.526147875	0.980083116	1.546459867	1.547229069	0.959359458	0.815825069	1.228412735	0.638893797	1.009883653	1.862994207	1.075955343	1.072373832	0.251063903	0.625235034	1.133175587	0.687463293	1.396311064	1.448298947	0.940834657	1.247067071	0.991885209	0.960990146	1.04436023	0.935024314	0.920260184	1.175615998	0.948945586	1.080738049
(S)-3-hydroxybutyrylcarnitine	2.878507583	6.045133114	3.341073491	6.424380826	3.490987282	1.594651166	1.9985787	2.293135167	1.354040954	1.160510288	0.908165033	1.080600939	0.56991662	0.507222963	0.854435764	0.712964274	1.110467545	1.022985499	1.713110501	0.743401887	0.977014501	1.472715687	0.847966709	0.946552095	0.165756396	0.367300261	0.431633623	0.421257159	0.553775396	0.640496968	0.412244914	0.460111262	0.574186195	0.568405694	0.545605687	0.48512003	0.608894728	0.783884389	0.717727851	0.649496439
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	0.323699739	0.431938739	0.390592694	0.679911279	0.576046172	0.292208342	0.47104904	0.405422843	1.274990863	0.938387287	1.152080903	0.963083519	1.857295388	1.416069666	2.395583954	1.903017967	0.850286362	0.70919495	0.939110349	0.720447365	1.252564867	1.717263215	1.079315255	1.399706233	0.436794959	1.036916481	1.659189144	0.919873675	2.179055971	1.762072177	1.333441665	1.752918022	1.839353306	1.759255304	1.47906516	1.454223877	0.644335565	0.919809971	0.827943471	0.901685554
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	1.052360918	0.922563156	0.709304128	1.650769187	0.709304128	0.77828215	1.223906396	1	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128	0.709304128
1,2-dilinolenoyl-GPC (18:3/18:3)*	0.20015066	1.255632211	0.20015066	0.20015066	0.20015066	0.20015066	0.512668384	0.727597019	1.095145339	1	1.064815709	0.684261148	0.806755355	0.608437083	1.515552558	1.095779355	0.20015066	1.186150952	1.38248071	0.851168324	0.20015066	0.20015066	1.161919987	1.604065976	0.20015066	0.57946238	0.881474836	0.677730537	1.171592423	0.20015066	0.777005071	1.409981253	0.946847543	1.041777181	0.68165938	0.862718571	0.20015066	0.20015066	1.107708729	1.317624864
4-acetamidobenzoate	0.349344896	0.382952009	0.326570013	0.434830164	0.424463699	0.232430531	0.443373977	0.323570412	2.084646463	1.549223881	2.082160741	1.514888414	1.33374211	1.016680804	0.915820338	1.565928877	2.361689687	2.007821076	3.623194455	1.669382219	1.88453797	2.624675108	0.939503949	1.589777226	0.27876852	0.824782042	1.084520716	0.816080031	0.813930496	0.983319196	0.549951061	0.787517002	0.705378562	0.746299649	0.587861375	0.46081488	0.89596475	0.685698802	0.619454088	0.555217101
1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)*	0.37511921	0.883629654	0.550202938	1.172740501	0.963384693	0.58150314	0.898315639	0.612753864	1.334945353	1.062575606	1.202786892	1.006086158	0.777051163	0.66631007	1	0.872872546	0.874633031	0.632211701	0.460445776	0.706854551	0.593637767	0.855224662	0.539190738	0.628915831	1.283779108	3.0478017	4.223660711	2.634095531	4.173971719	3.331430079	2.440522881	3.587583325	2.463107071	2.372067676	1.915771808	1.925490401	0.98833747	1.566358003	1.451794664	1.683326261
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	0.071022735	0.071022735	0.071022735	0.071022735	0.071022735	0.071022735	0.071022735	0.071022735	0.071022735	0.566958143	0.071022735	0.071022735	1	0.538278847	0.845392524	0.703307424	0.071022735	0.071022735	0.071022735	0.532314523	1.610420999	2.434544177	1.876186013	2.148176931	0.071022735	0.071022735	0.071022735	0.071022735	0.071022735	0.071022735	0.071022735	0.071022735	0.651084772	1.301544717	0.9214577	1.015536549	0.071022735	0.071022735	1.100126106	1.028219087
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*	0.488768353	0.592238687	0.204084583	0.204084583	0.204084583	1.247635898	0.675402982	0.204084583	0.204084583	0.477001016	0.204084583	0.204084583	0.204084583	0.504585042	0.887554522	0.485900195	0.708514168	0.322168057	1.14186987	0.204084583	1.421409204	1.617376872	1.713846552	1.981692802	0.301861777	0.726025933	1.029060015	0.589851668	0.916547599	0.204084583	0.970939985	1.473040389	1.404707634	1.638933601	1.096580221	1.438694244	0.204084583	1.622380826	2.162516824	2.203367848
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*	0.415349167	0.605308234	0.332985018	0.770463382	0.85113019	0.279423322	0.64743605	0.469377358	0.735431407	0.570192665	0.826609117	0.669403342	1.128553117	0.998092016	1.450506905	1.30598351	1.321598454	1.215567302	1.476956045	1.172611064	1.533199752	1.97330164	1.181745074	1.708344213	0.135382209	0.419998096	0.501747488	0.326744641	1.705485228	1.767736269	1.305888429	1.775554641	1.001907984	1.009774084	0.880026769	0.85140878	0.986898174	1.511058741	1.223788348	1.319464274
N-palmitoyl-sphingadienine (d18:2/16:0)*	0.134583374	0.28627644	0.108133357	0.406820033	0.108133357	0.108133357	0.261720759	0.209781721	1.220719638	1.197215793	1.461029661	0.928454928	0.825090588	0.737074137	1.157952498	1.052952954	0.984412977	0.751582192	1.170152301	0.773019647	0.436563752	0.862492498	0.660851475	0.609612478	0.469669567	1.299705066	1.545402112	1.046977754	2.838842765	2.977205475	2.208335385	2.935757892	1.126266086	1.3424621	0.953922513	1.082517627	0.604894198	1.015587023	1.095198964	1.069329569
glycerophosphoserine*	1.095221437	1.371775312	0.726768625	0.974331919	1.336785937	0.841598503	1.018499278	0.930115972	1.728682104	1.417450239	1.273564971	1.186334065	1.089593555	1	1.447361799	1.615158749	1.488572837	1.079324025	0.909168539	0.802973529	0.582141905	0.819609389	0.746562343	0.776441716	0.612270849	1.455221352	1.876775786	1.449061002	0.996062895	1.189155322	0.722789693	0.804779166	1.445843313	1.463059225	1.147790471	1.296241479	0.671880892	0.845471865	0.739673299	0.969893489
ceramide (d16:1/24:1, d18:1/22:1)*	0.553201006	1.44867399	0.211094609	0.211094609	0.247963328	0.522818724	0.211094609	0.930460212	1	0.919944744	0.211094609	0.211094609	2.197676673	0.211094609	2.044659972	2.273094738	0.211094609	0.964808682	0.211094609	0.449720046	0.211094609	0.211094609	1.464829837	1.665801153	0.363620785	0.211094609	1.236754082	0.211094609	6.411076967	0.211094609	1.06415921	5.187326616	0.211094609	0.211094609	1.145816193	0.999609811	0.594028298	0.211094609	2.647656659	0.582700486
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.807184323	0.425935211	1.347542749	1.053253698	0.425935211	0.622536528	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	0.425935211	1.314025063	0.425935211	0.739737638	1.062624769	0.951894846	1.506862947	0.896162715	1.048105154	0.425935211	0.425935211	0.425935211	0.425935211
ceramide (d18:1/14:0, d16:1/16:0)*	0.393516949	0.393516949	0.393516949	0.393516949	0.393516949	0.393516949	0.393516949	0.393516949	0.968780937	0.884710589	1.094632425	0.639951328	1.272022044	0.987949372	1.468067595	1.492265481	0.763389923	0.480503127	0.768164101	0.722667042	0.393516949	0.757850846	0.707677844	0.747126348	0.43005818	1.149804682	1.632974029	1.073749597	4.261630019	4.252417139	3.583209424	3.950613391	1.012050628	1.046102811	0.739995728	0.867009536	0.751672141	1.380938774	1.416128299	1.686979762
ceramide (d18:1/17:0, d17:1/18:0)*	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	1.132851252	0.737436708	1	1.186447989	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726	0.085569726
ceramide (d18:2/24:1, d18:1/24:2)*	1.737166415	2.951052923	0.337677979	0.406849228	0.500836098	1.21849693	0.308567339	1.876292569	1.0326776	1.03808251	1.029387455	0.283079608	2.41532564	0.368510284	2.949572254	3.045953638	0.375323082	1.352675515	1.887679592	0.296711666	0.705407234	0.463293603	2.200192097	2.297603351	0.360628173	0.259655193	0.96433855	0.208548911	5.314886869	0.940939894	4.285109516	6.43069969	1	0.292448686	0.899106325	1.109611674	1.726512886	1.118870756	3.398211443	0.529638323
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*	1.145025202	1.701633079	1.171886802	2.048163127	1.680501246	0.967541785	1.399274244	1.353532356	0.667531027	0.566914885	0.590750947	0.579626466	1.284294149	1.06650707	1.831664523	1.689018607	0.923208213	0.82030685	1.063544954	0.802166716	1.264846554	2.058165309	1.045343603	1.618705416	0.130980632	0.303102696	0.3514424	0.256105318	0.895421529	1.133874968	0.854269694	1.032458215	0.831952445	0.839786349	0.732355956	0.687015693	0.740130584	1.118859593	0.966397879	0.91411127
sphingomyelin (d18:1/19:0, d19:1/18:0)*	0.125044576	0.125044576	0.125044576	0.125044576	0.125044576	0.94372869	1.589706415	1.268697638	0.904372207	0.797538674	1.165695365	1.279985188	0.536384306	0.714987997	1.384227973	1.181787898	0.954140779	0.125044576	2.502503691	1.384292699	0.125044576	0.125044576	1.210408116	1.33961398	0.125044576	0.125044576	0.565326624	0.350979416	0.125044576	1.492961369	0.125044576	0.125044576	0.677979305	1.224301968	0.922906326	0.80751567	0.125044576	0.125044576	1.045859221	0.893404064
sphingomyelin (d18:2/24:2)*	0.395295179	0.395295179	0.395295179	0.395295179	0.395295179	0.395295179	0.395295179	0.395295179	1.298667596	0.799343566	1	0.932671857	0.395295179	0.503200419	1.382012146	0.96494826	0.395295179	1.983688066	2.594863482	1.426278868	0.955730955	0.395295179	1.509328886	0.927532736	0.395295179	0.395295179	0.434728471	0.395295179	0.395295179	0.395295179	0.395295179	0.395295179	0.395295179	1.177333716	1.104917638	1.072049702	0.395295179	0.395295179	0.642153325	0.395295179
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*	0.798450589	1.121051617	0.942569213	1.654747504	0.967481509	0.636115363	1.022062642	0.959413401	1.186978043	0.92300214	0.954247385	0.93699559	1.128707445	0.644419972	1.203447772	0.972505966	1.072503715	0.899644103	0.98074665	0.922630925	0.66677036	0.687077422	0.638486169	0.927475249	0.530436517	1.342021618	1.541701523	0.913663315	1.266215793	1.088891047	1.212722458	1.309712571	2.882826211	2.668299083	1.910779311	2.024087826	1.01925335	1.297474319	1.427410828	0.610062055
N,N,N-trimethyl-5-aminovalerate	6.971163978	11.59443344	2.257360699	5.524192709	23.18245146	3.870617475	4.538138388	4.000884314	1.548550269	1.509897389	0.532792052	0.758125381	3.035060294	0.868976389	1.390202651	1.091304441	1.930829991	2.106141144	0.948700965	0.895364774	3.605864338	1.665883265	1.074546812	0.928157246	0.176233964	0.600460611	0.231855786	0.275657396	0.990893342	0.470745175	0.281769829	0.245229472	0.701855555	0.857036167	0.277378585	0.358721562	1.009106658	0.415927978	0.381962162	0.337148062
(N(1) + N(8))-acetylspermidine	0.094040425	0.213282186	0.110675902	0.374017452	0.094040425	0.098125959	0.102609708	0.152210431	1.188215853	1.160970931	0.885175541	1	3.211134159	2.169780282	3.225292139	4.890411749	0.094040425	0.094040425	0.094040425	0.094040425	0.094040425	0.094040425	0.094040425	0.094040425	0.675765597	1.90140482	2.01587941	2.10173472	1.096119867	1.878654388	1.291831493	1.192800698	0.094040425	0.094040425	0.094040425	0.094040425	0.104546135	0.393682917	0.414506613	0.263489716
lyxonate	3.256337387	4.606193262	2.599453483	6.787042585	7.010821315	2.007671103	3.179113782	3.966851232	0.817845414	0.908975379	1	0.977191971	0.409886828	0.426163037	0.986451724	0.720466453	1.241845961	0.968274406	1.213997851	1.018060807	0.096372974	1.224278989	0.553548628	0.096372974	0.096372974	0.652969357	0.276074558	0.246389089	0.096372974	0.096372974	0.096372974	0.096372974	0.430432783	0.544337434	0.415053571	0.400999702	0.710532368	0.096372974	0.096372974	0.096372974
N,N,N-trimethyl-alanylproline betaine (TMAP)	3.675985705	4.776223581	3.410245673	6.543039585	6.851413398	2.70564938	4.228968307	3.553864512	0.682529489	0.683842649	0.818837804	1.012503176	0.769528378	0.43349519	1.041916593	1.051113032	1.210703839	1.317165519	1.23691426	0.898000882	0.799192516	0.987496824	0.540212559	0.827446966	0.145721481	0.581046859	0.312559762	0.390558779	0.145721481	0.145721481	0.145721481	0.145721481	0.983547985	0.842564795	0.824543796	1.049823016	0.145721481	0.511236338	0.424608082	0.145721481
1-carboxyethylisoleucine	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.395125267	1	1.299096101	1.061292402	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916	0.140607916
(3'-5')-adenylyladenosine*	0.220412591	0.220412591	0.220412591	1.912914057	2.223770164	0.841470255	0.974113007	0.220412591	0.657606762	0.92247885	1.21808515	1.01856153	0.784069479	0.687247685	1.014997961	1.37663408	1.029621447	0.220412591	1.725077492	1.293446369	0.220412591	1.995168742	0.885824469	0.220412591	0.220412591	0.697413473	1.148373904	0.966434407	1.173736068	2.00093186	1	2.173836739	0.568076965	0.921468038	0.965596279	0.964607974	0.220412591	0.220412591	0.220412591	0.220412591
(3'-5')-adenylylguanosine*	2.282340233	4.553456642	1.89182029	5.920382	5.863991228	2.055003776	2.69162587	2.935098296	0.211203518	0.412658854	0.755295846	0.780092524	0.504929868	0.627007239	1.298052166	1.486618603	1.049755709	0.34786744	2.766148443	1.802674111	0.525034234	3.151854247	1.276878294	0.732800213	0.114656195	0.294211737	0.820574486	0.573087987	1.441735729	2.95302403	2.389440725	3.872401627	0.391863998	0.681803937	0.837515607	0.728533532	0.452373897	0.998174841	0.707060676	1.001825159
3'-dephospho-CoA-glutathione*	1.084076355	1.393864586	0.767470477	1.519654629	1.073414345	0.755657066	1.288167838	1.170020249	2.263926862	2.324728025	2.290160181	1.885140949	0.879500148	0.782415295	1.291314888	1.296911299	0.910925311	0.508280293	0.532922675	0.746742539	0.340115287	0.340115287	0.523356979	0.340115287	0.340115287	1.064073497	1.061488838	1	0.340115287	0.340115287	0.340115287	0.340115287	0.418498638	0.64067389	0.489506618	0.691378208	0.340115287	0.340115287	0.340115287	0.340115287
S-(1,2-dicarboxyethyl)glutathione	0.331740493	0.331740493	0.331740493	0.331740493	0.331740493	0.331740493	0.331740493	0.331740493	1.591259141	1.350343219	1.590254219	1.401353254	1.038707024	0.910564767	1.449532926	1.537321851	1.139962225	0.982973591	0.331740493	0.863182135	0.830156012	0.331740493	0.740094296	0.990722575	0.331740493	1.098082638	1.531376117	0.993131141	0.331740493	0.331740493	0.331740493	0.331740493	0.872945355	0.909863265	0.943761954	1.127675715	0.331740493	1.006868859	0.74625561	0.331740493
hydroxy-N6,N6,N6-trimethyllysine*	0.37131039	0.37131039	0.37131039	0.37131039	0.37131039	0.37131039	0.711179446	0.923926231	1.289224891	0.919304829	1.299639226	1.205041921	0.769451494	0.741321864	1.398902122	1.626564058	1.102226309	0.738022019	1.322514669	0.37131039	0.755761502	1.082117366	1.064803145	0.743174718	0.37131039	0.950925868	1.751964581	0.37131039	0.845416917	0.37131039	0.372151024	1.096344763	1.040938695	1.488619049	0.904349317	1.119615987	0.37131039	0.37131039	0.959061305	0.740871044
X-11615	7.151604633	7.98179901	4.123480456	8.381136321	8.592098153	3.813927007	8.093541774	9.05413075	0.507947661	0.350875956	0.429851412	0.523093947	0.431025768	0.315828651	0.584603756	0.415132529	1	0.855452081	1.621437834	1.039161106	0.3819052	0.736713632	0.329172429	0.03267694	0.03267694	0.101518083	0.03267694	0.115082467	0.03267694	0.03267694	0.03267694	0.03267694	0.168015031	0.234865625	0.142674966	0.03267694	0.03267694	0.03267694	0.03267694	0.03267694
X-11677	2.920587888	2.919163586	1.542666536	4.273003748	4.181028462	1.222073581	3.001697063	2.284412803	0.324953249	0.639016422	1.020671554	0.495934427	0.978953461	0.787678487	0.402273242	0.947489548	1.038424056	0.324953249	0.979010203	0.677494029	0.324953249	1.450258641	1.348324495	0.509140725	0.396571601	1.818799471	2.377836932	1.065871869	0.399271427	0.324953249	0.324953249	0.334847843	1	1.360951049	0.816950008	1.342233516	0.324953249	0.541853096	0.35973709	0.831288872
X-12015	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	1.29048491	0.956472513	1.036260696	0.911674995	1.171166663	0.963739304	1.285488533	1.285918283	0.744652953	0.848682252	0.744652953	0.87987889	0.744652953	1.372907389	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953	0.744652953
X-12100	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.115103325	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.24435741	0.354765218	0.247642322	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503	0.053621503
X-12127	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.524601425	0.45411618	0.560470557	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	1.439529443	2.311366498	1.568778076	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618	0.45411618
X-12462	0.530050583	0.456200719	0.46173841	0.862415842	0.107462866	0.385775404	0.635759268	0.61515415	2.545437282	1.925389572	2.006211228	2.058407909	1.778483104	1.406427774	2.169663919	2.267637038	1.051604979	0.889514825	1.120763397	0.365628655	0.966753222	1.455322204	1.008328515	1.147843095	0.3413562	0.92683909	1.383046243	0.956517731	1.318090741	1.188228765	0.582268754	0.452368477	1.270664497	1.16329603	1.228756565	1.211424097	0.642153578	0.902361396	0.975540651	0.991671485
X-14056	0.419478476	0.509777839	0.329981173	0.613848046	0.67298151	0.429027236	0.454441498	0.464576896	1.56471237	1.032648669	1.157237633	1.446209323	1.72916445	1.542349257	1.984781782	2.193483108	0.869340114	0.834557993	0.976294989	0.787126044	1.269516401	1.670888287	1.189736033	1.33138443	0.455918117	1.047826028	0.879879209	1.416238119	1.730002846	2.09492214	1.50157664	1.800281263	1.259739717	1.025600883	1.023705011	0.934697467	1.102601827	1.396040162	1.261401886	1.220162122
X-15161	0.568757672	0.721738993	0.269039143	0.675373893	0.771274754	0.501611854	0.576887715	0.546582544	1.482463126	1.61343152	1.893834646	1.207911983	1.829812397	1.439313371	1.451022144	2.189586466	1.327888031	0.857745852	1.793428236	1.274200326	0.8484629	1.372999316	1.071133014	1.080682839	0.291726546	1.079713756	1.689033243	0.850266908	1.207314785	0.99785274	0.561339716	1.00214726	1.011406315	1.053445804	0.959455691	1.306197736	0.66171158	1.253039123	1.062783258	1.219030606
X-17010	2.083249594	2.424618732	1.667789691	2.893389134	2.516489025	1.212250557	1.686909923	1.851291983	0.635918606	0.516559532	0.909716382	0.433330799	0.989150772	0.548256858	0.734475499	0.181025561	0.650681838	0.876766222	1.064390926	0.536222897	1.010849228	1.35464488	1.06355964	0.811708196	0.181025561	0.464795412	0.620631929	0.366974331	1.317920655	1.53644774	0.857698979	1.402870234	0.493779883	0.612484041	0.181025561	0.721052337	1.291663889	1.809165167	1.187476171	1.280284564
X-18779	1.657436636	3.082908165	1.621154949	3.233427086	3.579115531	1.130824861	1.333727645	1.559425182	0.700994236	0.59077429	0.857493758	0.655740814	0.89905389	0.661428539	0.878121774	0.751247276	1.007153894	0.887287092	1.321660306	0.846487004	0.968530307	2.053660781	0.78831414	1.29439546	0.255827115	0.488148776	0.500143169	0.567622725	1.492103302	1.478235788	0.255827115	0.998438325	0.879361221	0.605037718	0.885117477	0.721147541	0.255827115	1.446269178	1.067725912	1.001561675
X-21342	0.061665952	0.061665952	0.061665952	0.061665952	0.061665952	0.061665952	0.061665952	0.061665952	0.382624818	0.061665952	0.061665952	0.061665952	0.061665952	0.48206091	0.537563411	1	0.061665952	0.061665952	0.061665952	0.061665952	1.232975685	1.954313828	0.061665952	0.992817423	0.061665952	0.181527658	0.673633658	0.061665952	0.061665952	1.188827382	0.061665952	0.061665952	0.466504282	0.601435529	0.540551386	0.494063225	1.39660513	2.257413858	0.928554602	2.352793927
X-22498	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	1.973047286	1.434144466	1.398167315	1.455803944	0.170712969	0.426903149	1.152164169	0.734281962	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.286016685	0.964694154	1.035305846	0.919778744	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969	0.170712969
X-22771	0.413648425	0.462735267	0.444416613	0.869326152	0.331039231	0.386689309	0.62971938	0.645908997	2.292101039	1.465350071	1.690453455	1.92014198	1.559987259	1.27883959	2.073476333	1.834586368	0.959932554	0.805348453	0.914881865	0.754089197	0.899426513	1.562794956	1.036173077	1.123724776	0.331039231	0.824279688	1.165307756	0.905750639	1.17450469	1.168962962	0.682757767	1	1.2928995	1.087327364	1.128523212	1.05241687	0.6605243	1.072906849	0.974522616	0.958578865
X-22776	3.135966375	3.379386553	2.267030786	4.169096712	2.403441812	1.983435051	2.386918515	2.351682695	0.835808457	0.727674865	0.739639421	0.771977744	1	0.729027048	1.164868089	0.953863434	1.00678036	0.789407512	0.770144709	0.856852236	1.468415068	1.73072623	1.015566839	0.449155234	0.240530662	0.601801255	0.665850896	0.634169441	0.949536385	1.411892505	1.353517585	1.44131457	0.830287071	0.803517611	0.77135084	0.547845241	0.939506376	1.575003703	1.358460981	1.166785922
X-24035	0.540351434	0.603894352	0.543794891	1.017559071	0.53683306	0.466166171	0.593111765	0.583615046	1.140743474	1.031972874	1.15793696	0.890009022	0.785737779	0.734480873	1.023246317	0.998929288	1.268234538	1.001666851	1.512975558	1.001070712	0.987604101	1.153382795	0.754877179	0.862268787	0.467744151	0.965309836	1.363515972	0.924526122	1.544870634	1.455814712	1.01712274	1.498607509	1.527427081	1.417109557	1.057119289	1.171175021	0.9178182	1.212723904	1.099051575	1.178460772
X-24425	0.873642128	0.273220816	0.273220816	0.273220816	0.273220816	0.564435056	0.907689987	0.984755649	0.642043371	1	0.813178391	0.984226943	1.410462371	0.542748028	0.858328836	1.534680539	0.69683298	1.045343383	1.082676621	0.366777231	1.343510104	3.638959203	1.219205534	0.273220816	0.273220816	1.408584865	1.91222638	1.146508477	0.273220816	0.273220816	0.597224448	1.257563934	0.781983636	1.220262888	0.886681606	0.776902751	1.021289292	1.071877157	1.069295497	0.273220816
X-24465	0.246391635	0.246391635	0.246391635	0.246391635	0.246391635	0.246391635	0.246391635	0.246391635	0.723291712	1.180570095	0.246391635	1.874166227	3.881569683	3.06341132	3.385560068	4.447120613	1.453065974	0.556158579	1.134617032	0.610981366	0.246391635	0.246391635	1	0.686596289	0.246391635	0.693775558	2.278542304	0.246391635	2.231092719	2.853512507	0.647266543	0.955956216	0.716202565	0.718674775	0.246391635	0.66268367	0.246391635	1.607512314	0.580491594	0.246391635
X-24697	0.699335263	0.177866402	0.177866402	0.177866402	0.177866402	0.202620311	0.767296057	0.841515184	1.741131868	1.675108625	2.568793974	1.848029286	1.387171453	0.994175542	1.80260236	2.41450616	0.960576172	0.236076177	1.030327946	0.722780627	0.177866402	0.177866402	0.879747142	0.177866402	0.952855203	2.744769379	4.306168997	2.711967591	2.336955736	1.910236902	1.447797446	3.009068419	0.501706145	1.095358183	0.592149913	0.995260264	0.181371525	0.600586893	0.338409603	1.004739736
X-25003	0.588091875	0.588091875	0.588091875	0.588091875	0.588091875	0.588091875	0.588091875	0.588091875	1.802729781	1.106749429	1.182240338	1.031929892	0.729505129	0.747641372	1.247820251	0.974158867	0.792908584	0.714005259	0.588091875	0.588091875	0.835315004	1.323873549	0.987326755	0.929549955	0.862463234	2.077094493	3.816210526	2.130944079	1	0.832623221	1.052235774	0.855281392	1.582227996	1.685477921	0.969747939	0.948560276	0.901670006	1.043066531	1.206900743	1.099312546
X-25004	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	1	1.293943679	0.984400153	1.38348879	1.066069125	0.468664044	2.063858836	1.606583735	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	0.716675178	0.47160909	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	0.468664044	0.752701288	0.468664044	0.468664044	0.468664044	0.468664044
X-25024	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	1	0.636499562	0.636499562	1.063297576	0.988076965	0.856942461	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.913340215	3.179337024	2.986276328	1.80509403	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562	0.636499562
X-25109	0.070346031	0.045843272	0.030721586	0.045439136	0.04346788	0.030721586	0.069880166	0.057449669	3.565736565	3.070467539	2.920836689	3.026143659	3.765231241	3.378253948	4.923144736	4.840218126	1.244674245	1.043100266	0.991142371	0.835911119	1.04205626	1.725611253	1.124895657	1.126108192	0.278194012	0.778990986	1.174273772	0.76426928	0.898530977	0.912969482	0.63299785	0.760140748	1.279951932	1.377588003	0.970272368	1.147272274	0.767378625	1.008857629	0.974917663	1.110732754
X-25936	0.076055768	0.093766061	0.055881064	0.120737104	0.109044358	0.041507336	0.056869119	0.056926197	1.848935887	1.400497299	1.274000386	1.419115608	0.981758451	0.893732654	1.336976188	1.270034451	2.034587544	1.747101183	1.751672085	1.297897329	1.684026753	2.695705325	1.738198718	1.575280592	0.497811093	1.191109795	1.21269899	1.124515639	0.455266853	0.51194709	0.303725556	0.335424486	2.344759682	2.70669506	1.895134438	1.988881963	1.018241549	1.250975523	1.422770003	1.420966739
X-25948	0.96552562	1.348344519	0.487295376	1.147819646	1.117047407	0.655675048	0.853120543	0.879949493	1.637585401	1.625379999	1.576432399	1.195442396	1.414320745	1.15810293	1.528527349	1.773173865	1.031764182	0.829893855	1.00842448	0.877349351	0.988337113	1.528646319	1.094170465	0.875973582	0.376679438	1.12930467	1.473342059	0.96872163	0.879757167	1.371860503	0.798269932	1.066822517	0.783531456	0.952272608	0.728016433	0.806235632	0.644786278	1.269637795	0.855318936	1.026070659

metabolite_name	PLOT_NAME	CHEM_ID	LIB_ID	COMP_ID	CHRO_LIB_ENTRY_ID	SUPER_PATHWAY	SUB_PATHWAY	PATHWAY_SORTORDER	TYPE	INCHIKEY	SMILES	CAS	CHEMSPIDER	HMDB	KEGG	PUBCHEM	PLATFORM
S-1-pyrroline-5-carboxylate	S-1-pyrroline-5-carboxylate	35	400	42370	166164	Amino Acid	Glutamate Metabolism	62	NAMED	DWAKNKKXGALPNW-REWHXWOFAV	OC(C1CCC=N1)=O	2906-39-0	10140206	HMDB0001301	C04322	11966181	Pos Early
putrescine	putrescine	49	400	1408	155357	Amino Acid	Polyamine Metabolism	537	NAMED	KIDHWZJUCRJVML-UHFFFAOYAX	NCCCCN	110-60-1	13837702	HMDB0001414	C00134	1045	Pos Early
spermidine	spermidine	50	400	485	155305	Amino Acid	Polyamine Metabolism	545	NAMED	ATHGHQPFGPMSJY-UHFFFAOYAK	NCCCCNCCCN	124-20-9	1071	HMDB0001257	C00315	1102	Pos Early
1-methylnicotinamide	1-methylnicotinamide	55	400	27665	155829	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	4317	NAMED	LDHMAVIPBRSVRG-UHFFFAOYAE	C[N+]1=CC(C([NH-])=O)=CC=C1	1005-24-9	8305504	HMDB0000699	C02918	457	Pos Early
alpha-ketoglutarate	alpha-ketoglutarate	93	305	528	146398	Energy	TCA Cycle	1446	NAMED	KPGXRSRHYNQIFN-UHFFFAOYAN	O=C(C(O)=O)CCC(O)=O	328-50-7,22202-68-2,305-72-6	50	HMDB0000208	C00026	51	Polar
uridine 3'-monophosphate (3'-UMP)	uridine 3'-monophosphate (3'-UMP)	106	305	39764	147620	Nucleotide	Pyrimidine Metabolism, Uracil containing	4217	NAMED	FOGRQMPFHUHIGU-XVFCMESIBZ	O=C1C=CN([C@H]2[C@H](O)[C@H](OP(O)(O)=O)[C@@H](CO)O2)C(N1)=O	35170-03-7,35170-0-7	91753	HMDB0060282	C01368	101543	Polar
3-hydroxy-3-methylglutarate	3-hydroxy-3-methylglutarate	112	305	531	146400	Lipid	Mevalonate Metabolism	3176	NAMED	NPOAOTPXWNWTSH-NUQVWONBAH	CC(CC(O)=O)(CC(O)=O)O	503-49-1	4573695	HMDB0000355	C03761	1662,5459993	Polar
3-phosphoglycerate	3-phosphoglycerate	132	209	1414	124549	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1237	NAMED	IACAHGYCKIUESG-REWHXWOFAW	OC(C(O)=O)COP(O)(O)=O	80731-10-8	10669764	HMDB0000807	C00597	724	Neg
hypoxanthine	hypoxanthine	171	209	3127	124615	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4121	NAMED	FDGQSTZJBFJUBT-UHFFFAOYAJ	O=C1C(N=CN2)=C2N=CN1	68-94-0	768	HMDB0000157	C00262	790,135398638	Neg
guanine	guanine	172	400	32352	155912	Nucleotide	Purine Metabolism, Guanine containing	4184	NAMED	UYTPUPDQBNUYGX-UHFFFAOYAE	NC(N1)=NC2=C(NC=N2)C1=O	73-40-5	744	HMDB0000132	C00242	135398634	Pos Early
quinolinate	quinolinate	182	400	1899	155456	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	4301	NAMED	GJAWHXHKYYXBSV-UHFFFAOYAW	OC(C(C=CC=N1)=C1C(O)=O)=O	89-00-9	1037	HMDB0000232	C03722	1066	Pos Early
N6,N6,N6-trimethyllysine	N6,N6,N6-trimethyllysine	189	400	1498	155380	Amino Acid	Lysine Metabolism	116	NAMED	MXNRLFUSFKVQSK-UHFFFAOYAO	C[N+](C)(CCCCC(C([O-])=O)N)C	23284-33-5	140379	HMDB0001325	C03793	440120	Pos Early
N-formylmethionine	N-formylmethionine	194	305	2829	147946	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	437	NAMED	PYUSHNKNPOHWEZ-YFKPBYRVBS	CSCCC(C(O)=O)NC=O	4289-98-9	388809	HMDB0001015	C03145	439750	Polar
S-adenosylhomocysteine (SAH)	S-adenosylhomocysteine (SAH)	197	209	42382	124939	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	446	NAMED		OC1C(N2C=NC3=C2N=CN=C3N)OC(CSCCC(N)C(O)=O)C1O	979-92-0	16788012	HMDB00939	C00021	439155	Neg
adenosine 5'-monophosphate (AMP)	AMP	209	400	32342	155907	Nucleotide	Purine Metabolism, Adenine containing	4140	NAMED	UDMBCSSLTHHNCD-RWLQFSFNBF	NC1=NC=NC2=C1N=CN2C3OC(C(C3O)O)COP(O)(O)=O	149022-20-8	10239183	HMDB0000045	C00020	6083	Pos Early
2'-deoxyadenosine	2'-deoxyadenosine	211	400	1553	155395	Nucleotide	Purine Metabolism, Adenine containing	4170	NAMED	OLXZPDWKRNYJJZ-RRKCRQDMBK	NC1=C(N=CN2C(CC3O)OC3CO)C2=NC=N1	16373-93-6	13135	HMDB0000101	C00559	13730	Pos Early
5-methylthioadenosine (MTA)	5-methylthioadenosine (MTA)	212	400	1419	155365	Amino Acid	Polyamine Metabolism	556	NAMED	WUUGFSXJNOTRMR-IOSLPCCCBD	NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](CSC)O3	2457-80-9	388321	HMDB0001173	C00170	439176	Pos Early
adenosine 5'-diphosphoribose (ADP-ribose)	adenosine 5'-diphosphoribose (ADP-ribose)	215	400	558	155321	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	4327	NAMED	SDMADEZQMYCSNO-UHFFFAOYAX	NC1=NC=NC2=C1N=CN2C3OC(C(C3O)O)COP(O)(OP(O)(OC4OC(C(C4O)O)CO)=O)=O	68414-18-6	3674071	HMDB0001178	C00301	192	Pos Early
AICA ribonucleotide	AICA ribonucleotide	216	400	38325	156507	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4115	NAMED	4000	NC(C1=C(N(C2OC(C(C2O)O)COP(O)(O)=O)C=N1)N)=O	3031-94-5	195	HMDB0001517	C04677	65110	Pos Early
arginine	arginine	231	400	1638	155435	Amino Acid	Urea cycle; Arginine and Proline Metabolism	483	NAMED	ODKSFYDXXFIFQN-UHFFFAOYAT	N=C(N)NCCCC(N)C(O)=O	1119-34-2	227	HMDB0000517	C00062	6322	Pos Early
argininosuccinate	argininosuccinate	232	400	15497	155552	Amino Acid	Urea cycle; Arginine and Proline Metabolism	484	NAMED	KDZOASGQNOPSCU-UHFFFAOYAF	NC(C(O)=O)CCCNC(NC(C(O)=O)CC(O)=O)=N	156637-58-0	805	HMDB0000052	C03406	60150382	Pos Early
ascorbate (Vitamin C)	ascorbate (Vitamin C)	233	209	32354	124931	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	4348	NAMED	CIWBSHSKHKDKBQ-JLAZNSOCBT	OCC(O)C1OC(C(O)=C1O)=O	134-03-2	10189562	HMDB0000044	D00018,C00072	54670067	Neg
aspartate	aspartate	234	400	443	155304	Amino Acid	Alanine and Aspartate Metabolism	36	NAMED	CKLJMWTZIZZHCS-REOHCLBHBW	NC(C(O)=O)CC(O)=O	56-84-8	5745	HMDB0000191	C00049	5960	Pos Early
3-(4-hydroxyphenyl)lactate	3-(4-hydroxyphenyl)lactate (HPLA)	240	209	32197	123321	Amino Acid	Tyrosine Metabolism	181	NAMED	JVGVDSSUAVXRDY-UHFFFAOYAV	OC(C(O)=O)CC1=CC=C(O)C=C1	6482-98-0	9010	HMDB0000755	C03672	9378	Neg
beta-alanine	beta-alanine	244	400	55	155295	Nucleotide	Pyrimidine Metabolism, Uracil containing	4240	NAMED	UCMIRNVEIXFBKS-UHFFFAOYAL	NCCC(O)=O	107-95-9,56-41-7	234	HMDB0000056	C00099	239	Pos Early
carnosine	carnosine	249	400	1768	155446	Amino Acid	Histidine Metabolism	84	NAMED	CQOVPNPJLQNMDC-ZETCQYMHBX	OC([C@H](CC1=CNC=N1)NC(CCN)=O)=O	305-84-0	388363	HMDB0000033	C00386	439224	Pos Early
cholesterol	cholesterol	266	402	63	164177	Lipid	Sterol	3193	NAMED	HVYWMOMLDIMFJA-LBHVWCRMBB	CC1(C2C(C)CCCC(C)C)C(CC2)C(CC=C3C4(CC[C@H](O)C3)C)C4CC1	57-88-5	4937803	HMDB0000067	C00187	5997,6432564,11025495	Pos Late
choline phosphate	phosphocholine	267	400	34396	156099	Lipid	Phospholipid Metabolism	2234	NAMED	YHHSONZFOIEMCP-UHFFFAOYAD	C[N+](C)(CCOP(O)([O-])=O)C	72556-74-2	119298	HMDB0001565	C00588	1014	Pos Early
CoA-glutathione*	CoA-glutathione*	269	209	62804	220430	Amino Acid	Glutathione Metabolism	593	NAMED	JYKWMJBUIXNJOG-JHKACSFWBF	O[C@H]1[C@H](N2C(N=CN=C3N)=C3N=C2)O[C@H](COP(OP(OCC(C)(C)C(C(NCCC(NCCSSC[C@@H](C(NCC(O)=O)=O)NC(CC[C@@H](C(O)=O)N)=O)=O)=O)O)(O)=O)(O)=O)[C@H]1OP(O)(O)=O	6477-52-7	10128089		C00920	46873828	Neg
coenzyme A	CoA	270	209	46322	145265	Cofactors and Vitamins	Pantothenate and CoA Metabolism	4343	NAMED	RGJOEKWQDUBAIZ-UHFFFAOYAQ	CC(COP(O)(OP(O)(OCC1OC(N2C=NC3=C2N=CN=C3N)C(C1OP(O)(O)=O)O)=O)=O)(C(C(NCCC(NCCS)=O)=O)O)C	85-61-0,18439-24-2	311	HMDB0001423	C00010	87642	Neg
creatinine	creatinine	275	400	513	155307	Amino Acid	Creatine Metabolism	529	NAMED	DDRJAANPRJIHGJ-UHFFFAOYAV	CN(C(N1)=N)CC1=O	60-27-5	568	HMDB0000562	C00791	588	Pos Early
cysteinylglycine	cysteinylglycine	278	400	35637	156206	Amino Acid	Glutathione Metabolism	576	NAMED	ZUKPVRWZDMRIEO-UHFFFAOYAS	NC(C(NCC(O)=O)=O)CS	19246-18-5	58762	HMDB0000078	C01419	439498	Pos Early
cytidine 5'-monophosphate (5'-CMP)	CMP	282	400	2372	155469	Nucleotide	Pyrimidine Metabolism, Cytidine containing	4248	NAMED	IERHLVCPSMICTF-FHLVPPQOBD	NC1=NC(N(C2OC(C(C2O)O)COP(O)(O)=O)C=C1)=O	63-37-6	5414497	HMDB0000095	C00055	6131	Pos Early
sphingosine	sphingosine	297	402	17747	158164	Lipid	Sphingosines	3160	NAMED	WWUZIQQURGPMPG-CCEZHUSRBL	CCCCCCCCCCCCC/C=C/C(C(CO)N)O	123-78-4	4510275	HMDB0000252	C00319	5280335	Pos Late
2'-deoxycytidine 5'-monophosphate	dCMP	298	400	533	155313	Nucleotide	Pyrimidine Metabolism, Cytidine containing	4261	NAMED	NCMVOABPESMRCP-JZOUJQBSBG	NC1=NC(N(C2CC(C(O2)COP(O)(O)=O)O)C=C1)=O	1032-65-1	5414501	HMDB0001202	C00239	13945	Pos Early
dihydroxyacetone phosphate (DHAP)	dihydroxyacetone phosphate (DHAP)	309	400	15522	155557	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1232	NAMED	GNGACRATGGDKBX-NUQVWONBAJ	OCC(COP(O)(O)=O)=O	102783-56-2	3833110	HMDB0001473	C00111	668	Pos Early
homocysteine	homocysteine	311	400	15128	155533	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	450	NAMED	FFFHZYDWPBMWHY-UHFFFAOYAS	O=C(C(CCS)N)O	454-29-5	757	HMDB0000742	C00155	778	Pos Early
sphinganine	sphinganine	313	402	17769	158166	Lipid	Sphingolipid Synthesis	3001	NAMED	OTKJDMGTUTTYMP-UHFFFAOYAS	CCCCCCCCCCCCCCCC(C(CO)N)O	3102-56-5	3014	HMDB0000269	C00836	3126	Pos Late
flavin adenine dinucleotide (FAD)	FAD	327	209	2134	124607	Cofactors and Vitamins	Riboflavin Metabolism	4334	NAMED	VWWQXMAJTJZDQX-UYBVJOGSBL	OC(C(O)C(O)COP(OP(OC[C@H]1O[C@@H](N(C=N2)C3=C2C(N)=NC=N3)[C@H](O)[C@@H]1O)(O)=O)(O)=O)CN(C(C=C(C)C(C)=C4)=C4N=C5C(N6)=O)C5=NC6=O	146-14-5,84366-81-4	559059	HMDB0001248	C00016	643975	Neg
fumarate	fumarate	330	305	1643	146876	Energy	TCA Cycle	1450	NAMED	VZCYOOQTPOCHFL-OWOJBTEDBF	OC(/C=C/C(O)=O)=O	100-17-8	10197150	HMDB0000134	C00122	444972	Polar
gamma-glutamylglutamate	gamma-glutamylglutamate	331	400	36738	156248	Peptide	Gamma-glutamyl Amino Acid	634	NAMED	OWQDWQKWSLFFFR-WDSKDSINBR	O=C(O)C(N)CCC(NC(C(O)=O)CCC(O)=O)=O	1116-22-9	83831	HMDB0011737	C05282	92865	Pos Early
guanosine 5'-diphospho-fucose	guanosine 5'-diphospho-fucose	335	209	15903	128165	Carbohydrate	Nucleotide Sugar	1388	NAMED		OP(OC1C(O)C(O)C(O)C(C)O1)(OP(O)(OCC2OC(N3C=NC4=C3N=C(NC4=O)N)C(C2O)O)=O)=O	15839-70-0					Neg
glycine	glycine	340	400	58	160611	Amino Acid	Glycine, Serine and Threonine Metabolism	1	NAMED	DHMQDGOQFOQNFH-UHFFFAOYAW	NCC(O)=O	56-40-6	730	HMDB0000123	C00037	750	Pos Early
guanidinoacetate	guanidinoacetate	344	400	43802	157048	Amino Acid	Creatine Metabolism	527	NAMED	BPMFZUMJYQTVII-UHFFFAOYAQ	NC(NCC(O)=O)=N	352-97-6	743	HMDB0000128	C00581	763	Pos Early
guanosine 5'-diphosphate (GDP)	guanosine 5'-diphosphate (GDP)	346	209	2848	164711	Nucleotide	Purine Metabolism, Guanine containing	4177	NAMED	QGWNDRXFNXRZMB-UUOKFMHZBH	NC1=NC2=C(C(N1)=O)N=CN2C3OC(C(C3O)O)COP(O)(OP(O)(O)=O)=O	43139-22-6	8630	HMDB0001201	C00035	135398619	Neg
guanosine 5'-monophosphate (5'-GMP)	5'- GMP	347	400	2849	155481	Nucleotide	Purine Metabolism, Guanine containing	4178	NAMED	RQFCJASXJCIDSX-UHFFFAOYAQ	NC1=NC2=C(C(N1)=O)N=CN2C3OC(C(C3O)O)COP(O)(O)=O	5550-12-9	741	HMDB0001397	C00144	6804	Pos Early
2'-deoxyguanosine	2'-deoxyguanosine	348	209	1411	124547	Nucleotide	Purine Metabolism, Guanine containing	4201	NAMED	YKBGVTZYEHREMT-KVQBGUIXBI	OC1=C(N=CN2C(CC3O)OC3CO)C2=NC(N)=N1	961-07-9	163230	HMDB0000085	C00330	135398592	Neg
histidine	histidine	355	209	59	123153	Amino Acid	Histidine Metabolism	70	NAMED	HNDVDQJCIGZPNO-UHFFFAOYAG	NC(C(O)=O)CC1=CN=CN1	5934-29-2	752	HMDB0000177	C00135	6274	Neg
hypotaurine	hypotaurine	358	400	590	155331	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	470	NAMED	VVIUBCNYACGLLV-UHFFFAOYAM	NCCS(O)=O	300-84-5	96959	HMDB0000965	C00519	107812	Pos Early
inosine	inosine	361	209	1123	123191	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4120	NAMED	UGQMRVRMYYASKQ-DGPXGRDGBU	O[C@H]1[C@H](N2C(N=CN=C3O)=C3N=C2)O[C@H](CO)[C@H]1O	58-63-9	21241953	HMDB0000195	C00294	6021	Neg
inosine 5'-monophosphate (IMP)	inosine 5'-monophosphate (IMP)	362	400	2133	155461	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4119	NAMED	GRSZFWQUAKGDAV-RWLQFSFNBK	OC1C(C(N2C=NC3=C2N=CNC3=O)OC1COP(O)(O)=O)O	4691-65-0	5482599	HMDB0000175	C00130	8582	Pos Early
myo-inositol	myo-inositol	363	305	1124	145716	Lipid	Inositol Metabolism	2202	NAMED	CDAISMWEOUEBRE-GPIVLXJGBG	O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O	87-89-8	10239179	HMDB0000211	C00137	892	Polar
isoleucine	isoleucine	376	400	1125	155350	Amino Acid	Leucine, Isoleucine and Valine Metabolism	385	NAMED	AGPKZVBTJJNPAG-UHFFFAOYAW	NC(C(O)=O)C(C)CC	73-32-5	769	HMDB0000172	C06418,C00407,C16424	6306	Pos Early
citrulline	citrulline	391	400	2132	155460	Amino Acid	Urea cycle; Arginine and Proline Metabolism	492	NAMED	RHGKLRLOHDJJDR-UHFFFAOYAQ	NC(C(O)=O)CCCNC(N)=O	372-75-8	810	HMDB0000904	C00327	9750	Pos Early
leucine	leucine	397	400	60	155300	Amino Acid	Leucine, Isoleucine and Valine Metabolism	332	NAMED		O=C([C@H](CC(C)C)N)O	61-90-5		HMDB0000687	C00123	6106	Pos Early
lysine	lysine	407	400	1301	155354	Amino Acid	Lysine Metabolism	105	NAMED	KDXKERNSBIXSRK-YFKPBYRVBE	NC(C(O)=O)CCCCN	56-87-1	5747	HMDB0003405	C00739,C00047	5962	Pos Early
malate	malate	409	209	1303	123199	Energy	TCA Cycle	1452	NAMED	BJEPYKJPYRNKOW-UHFFFAOYAM	OC(C(O)=O)CC(O)=O	6915-15-7	510	HMDB0031518,HMDB0000156,HMDB0000744	C00149,C00711,C00497	525	Neg
methionine	methionine	415	305	1302	145718	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	434	NAMED	FFEARJCKVFRZRR-BYPYZUCNBW	CSCCC(N)C(O)=O	63-68-3	5907	HMDB0000696	C00073	6137	Polar
methylmalonate (MMA)	methylmalonate (MMA)	418	305	1496	145730	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	1775	NAMED	ZIYVHBGGAOATLY-UHFFFAOYAT	O=C(C(C(O)=O)C)O	516-05-2	473	HMDB0000202	C02170	487	Polar
nicotinamide	nicotinamide	432	400	594	155332	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	4305	NAMED	DFPAKSUCGFBDDF-UHFFFAOYAZ	NC(C1=CN=CC=C1)=O	98-92-0	911	HMDB0001406	C00153	936	Pos Early
ornithine	ornithine	444	400	1493	155375	Amino Acid	Urea cycle; Arginine and Proline Metabolism	487	NAMED	AHLPHDHHMVZTML-BYPYZUCNBZ	O=C(O)[C@@H](N)CCCN	3184-13-2	6026	HMDB0000214	C00077	6262	Pos Early
orotate	orotate	445	305	1505	146440	Nucleotide	Pyrimidine Metabolism, Orotate containing	4208	NAMED	PXQPEWDEAKTCGB-UHFFFAOYAD	O=C(C1=CC(O)=NC(O)=N1)O	50887-69-9	942	HMDB0000226	C00295	967	Polar
glutathione, oxidized (GSSG)	glutathione, oxidized (GSSG)	448	400	27727	155840	Amino Acid	Glutathione Metabolism	567	NAMED	YPZRWBKMTBYPTK-BJDJZHNGBD	O=C([C@@H](NC(CC[C@@H](C(O)=O)N)=O)CSSC[C@@H](C(NCC(O)=O)=O)NC(CC[C@@H](C(O)=O)N)=O)NCC(O)=O	103239-24-3	58835	HMDB0003337	D00031,C00127	65359	Pos Early
phenylalanine	phenylalanine	460	400	64	155301	Amino Acid	Phenylalanine Metabolism	140	NAMED	COLNVLDHVKWLRT-QMMMGPOBBC	NC(C(O)=O)CC1=CC=CC=C1	63-91-2	5910	HMDB0000159	C00079	6140	Pos Early
phosphate	phosphate	461	400	42109	156915	Energy	Oxidative Phosphorylation	1469	NAMED	NBIIXXVUZAFLBC-DFZHHIFOAA	O=P(O)(O)O	7664-38-2	1032	HMDB0001429	C00009	1061	Pos Early
proline	proline	480	400	1898	155455	Amino Acid	Urea cycle; Arginine and Proline Metabolism	495	NAMED	ONIBWKKTOPOVIA-BYPYZUCNBZ	OC(C1CCCN1)=O	147-85-3	128566	HMDB0000162,HMDB0003411	C00148,C000763	8988,145742,614	Pos Early
lactate	lactate	482	305	527	146396	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1240	NAMED	JVTAAEKCZFNVCJ-UHFFFAOYAX	CC(O)C(O)=O	79-33-4	592	HMDB0000190	C00186	612	Polar
pyridoxamine phosphate	pyridoxamine phosphate	493	400	3138	155486	Cofactors and Vitamins	Vitamin B6 Metabolism	4449	NAMED	ZMJGSOSNSPKHNH-UHFFFAOYAM	NCC1=C(COP(O)(O)=O)C=NC(C)=C1O	529-96-4	1024	HMDB0001555	C00647	1053	Pos Early
pyridoxine phosphate	pyridoxine phosphate	494	400	57553	211530	Cofactors and Vitamins	Vitamin B6 Metabolism	4447	NAMED	WHOMFKWHIQZTHY-UHFFFAOYAP	CC1=NC=C(C(CO)=C1O)COP(O)(O)=O	447-05-2	1026	HMDB01319	C00627	1055	Pos Early
glutathione, reduced (GSH)	glutathione, reduced (GSH)	496	400	2127	155459	Amino Acid	Glutathione Metabolism	566	NAMED	RWSXRVCMGQZWBV-WDSKDSINBK	O=C(N[C@@H](CS)C(NCC(O)=O)=O)CC[C@@H]([C@@](O)=O)N	70-18-8	111188	HMDB0000125	D00014,C00051	124886	Pos Early
riboflavin (Vitamin B2)	riboflavin (Vitamin B2)	500	209	1827	123225	Cofactors and Vitamins	Riboflavin Metabolism	4333	NAMED	AUNGANRZJHBGPY-SCRDCRAPBG	OC(C(O)C(O)CO)CN1C(C=C2C)=C(C=C2C)N=C(C(N3)=O)C1=NC3=O	83-88-5	431981	HMDB0000244	C00255	493570	Neg
serine	serine	503	400	1648	155437	Amino Acid	Glycine, Serine and Threonine Metabolism	10	NAMED	MTCFGRXMJLQNBG-REOHCLBHBX	OC([C@@H](N)CO)=O	56-45-1	5736	HMDB0000187	C00065	5951	Pos Early
serotonin	serotonin	504	400	2342	155468	Amino Acid	Tryptophan Metabolism	287	NAMED	QZAYGJVTTNCVMB-UHFFFAOYAX	NCCC1=CNC(C=C2)=C1C=C2O	153-98-0	5013	HMDB0000259	C00780	5202	Pos Early
spermine	spermine	507	400	603	155336	Amino Acid	Polyamine Metabolism	552	NAMED	PFNFFQXMRSDOHW-UHFFFAOYAC	NCCCNCCCCNCCCN	71-44-3	1072	HMDB0001256	C00750	1103	Pos Early
taurine	taurine	512	209	2125	124601	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	471	NAMED	XOAAWQZATWQOTB-UHFFFAOYAA	NCCS(=O)(O)=O	107-35-7	1091	HMDB0000251	C00245	1123	Neg
uridine	uridine	535	209	606	123185	Nucleotide	Pyrimidine Metabolism, Uracil containing	4220	NAMED	DRTQHJPVMGBUCF-XVFCMESIBG	OC1C(N(C=CC2=O)C(N2)=O)OC(CO)C1O	58-96-8	5807	HMDB0000296	C00299	6029	Neg
2'-deoxyuridine	2'-deoxyuridine	536	209	1412	123201	Nucleotide	Pyrimidine Metabolism, Uracil containing	4236	NAMED	MXHRCPNRJAMMIM-SHYZEUOFBK	O=C(NC1=O)N(C=C1)C(CC2O)OC2CO	951-78-0	13118	HMDB0000012	C00526	13712	Neg
glutamate	glutamate	561	400	57	155297	Amino Acid	Glutamate Metabolism	44	NAMED	WHUUTDBJXJRKMK-UHFFFAOYAD	O=C(O)[C@@H](N)CCC(O)=O	56-86-0	591	HMDB0000148	C00025,C00217	33032	Pos Early
glutamine	glutamine	563	400	53	155293	Amino Acid	Glutamate Metabolism	45	NAMED	ZDXPYRJPNDTMRX-VKHMYHEABV	OC([C@@H](N)CCC(N)=O)=O	56-85-9	5746	HMDB0000641	C00064	5961	Pos Early
threonine	threonine	564	400	1284	155352	Amino Acid	Glycine, Serine and Threonine Metabolism	17	NAMED	AYFVYJQAPQTCCC-GBXIJSLDBG	N[C@H](C(O)=O)[C@H](O)C	72-19-5	6051	HMDB0000167	C00188	6288	Pos Early
tryptophan	tryptophan	565	400	54	155294	Amino Acid	Tryptophan Metabolism	254	NAMED	QIVBCDIJIAJPQS-VIFPVBQEBP	O=C(O)[C@@H](N)CC1=CNC2=C1C=CC=C2	73-22-3	6066	HMDB0000929	C00078	6305	Pos Early
valine	valine	566	400	1649	155438	Amino Acid	Leucine, Isoleucine and Valine Metabolism	416	NAMED	KZSNJWFQEVHDMF-BYPYZUCNBW	N[C@H](C(O)=O)C(C)C	72-18-4	6050	HMDB0000883	C00183	6287	Pos Early
nicotinate	nicotinate	567	209	1504	125977	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	4302	NAMED	PVNIIMVLHYAWGP-UHFFFAOYAA	OC(C1=CC=CN=C1)=O	59-67-6	913	HMDB0001488	C00253	938	Neg
pyridoxamine	pyridoxamine	568	400	2150	155464	Cofactors and Vitamins	Vitamin B6 Metabolism	4448	NAMED	NHZMQXZHNVQTQA-UHFFFAOYAS	NCC(C(O)=C(C)N=C1)=C1CO	58052-48-5	1023	HMDB0001431	C00534	1052	Pos Early
glucose	glucose	572	305	20488	146506	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1223	NAMED	WQZGKKKJIJFFOK-DVKNGEFBBQ	O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	50-99-7	71358	HMDB0000122	C00031	5793	Polar
adenosine	adenosine	798	400	555	155320	Nucleotide	Purine Metabolism, Adenine containing	4147	NAMED	OIRDTQYFTABQOQ-KQYNXXCUBX	NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3	58-61-7	54923	HMDB0000050	C00212	60961	Pos Early
betaine	betaine	799	400	3141	155487	Amino Acid	Glycine, Serine and Threonine Metabolism	7	NAMED	KWIUHFFTVRNATP-UHFFFAOYAI	O=C(C[N+](C)(C)C)[O-]	107-43-7	19951173,242	HMDB0000043	C00719	247	Pos Early
cysteine	cysteine	800	400	1868	155454	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	455	NAMED	XUJNEKJLAYXESH-REOHCLBHBU	SC[C@H](N)C(O)=O	56-89-3,52-90-4	5653	HMDB0000574	C00097	5862	Pos Early
mannose	mannose	803	305	584	146414	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1353	NAMED	GZCGUPFRVQAUEE-KVTDHHQDBB	O[C@@H]1C(CO)O[C@@H](O)[C@@H](O)[C@H]1O	3458-28-4	141983	HMDB0000169	C00159,C02209,C00936	82308,439680,185698,18950	Polar
dimethylglycine	dimethylglycine	806	400	5086	155492	Amino Acid	Glycine, Serine and Threonine Metabolism	6	NAMED	FFDGPVCHZBVARC-UHFFFAOYAX	CN(C)CC(O)=O	1118-68-9	653	HMDB0000092	C03626	673	Pos Early
alanine	alanine	811	400	1126	155351	Amino Acid	Alanine and Aspartate Metabolism	29	NAMED	QNAYBMKLOCPYGJ-REOHCLBHBS	O=C(O)[C@@H](N)C	56-41-7	5735	HMDB0000161	C00041	5950	Pos Early
tyrosine	tyrosine	815	209	1299	124543	Amino Acid	Tyrosine Metabolism	162	NAMED	OUYCCCASQSFEME-QMMMGPOBBZ	N[C@@H](CC1=CC=C(O)C=C1)C(O)=O	60-18-4	5833	HMDB0000158	C00082	6057	Neg
pseudouridine	pseudouridine	821	209	33442	125870	Nucleotide	Pyrimidine Metabolism, Uracil containing	4222	NAMED	HZIOZCLEXIYJAD-JWMKEVCDBU	O[C@]1([H])[C@@](O)([H])[C@](CO)([H])O[C@]1(C2=CNC(NC2=O)=O)[H]	1445-07-4	21403010	HMDB0000767	C02067	15047	Neg
pyruvate	pyruvate	823	305	22250	146516	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1239	NAMED	LCTONWCANYUPML-REWHXWOFAD	CC(C(O)=O)=O	127-17-3	96901	HMDB0000243	C00022	1060	Polar
uracil	uracil	825	400	605	155338	Nucleotide	Pyrimidine Metabolism, Uracil containing	4221	NAMED	ISAKRJDGNUQOIC-UHFFFAOYAV	O=C(NC=C1)NC1=O	66-22-8	1141	HMDB0000300	C00106	1174	Pos Early
cytidine	cytidine	827	400	514	155308	Nucleotide	Pyrimidine Metabolism, Cytidine containing	4252	NAMED	UHDGCWIWMRVCDJ-XVFCMESIBD	OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C=C2)N)=O)O1)O)O	65-46-3	5940	HMDB0000089	C00475	6175	Pos Early
uridine 5'-monophosphate (UMP)	UMP	869	400	2856	155482	Nucleotide	Pyrimidine Metabolism, Uracil containing	4215	NAMED	DJJCXFVJDGTHFX-FHLVPPQOBI	O[C@]1([H])[C@@](O)([H])[C@](COP(O)(O)=O)([H])O[C@]1(N(C=C2)C(NC2=O)=O)[H]	3387-36-8	1399139	HMDB0000288	C00105	6030	Pos Early
uridine 5'-diphosphate (UDP)	uridine 5'-diphosphate (UDP)	870	209	5345	124835	Nucleotide	Pyrimidine Metabolism, Uracil containing	4214	NAMED	XCCTYIAWTASOJW-XVFCMESIBB	OC1C(N(C=CC2=O)C(N2)=O)OC(COP(OP(O)(O)=O)(O)=O)C1O	21931-53-3	5809	HMDB0000295	C00015	6031	Neg
thymidine	thymidine	872	209	2183	124827	Nucleotide	Pyrimidine Metabolism, Thymine containing	4275	NAMED	IQFYYKKMVGJFEH-XLPZGREQBQ	O=C(NC(C(C)=C1)=O)N1[C@]2([C@@]([C@@]([C@@](CO)(O2)[H])(O)[H])([H])[H])[H]	50-89-5	5585	HMDB0000273	C00214	5789	Neg
thiamin (Vitamin B1)	thiamin (Vitamin B1)	873	400	5341	155495	Cofactors and Vitamins	Thiamine Metabolism	4421	NAMED		NC1=C(C[N+]2=CSC(CC[O-])=C2C)C=NC(C)=N1	59-43-8		HMDB0000235	DG00125,C00378,D08580	1130	Pos Early
fructose	fructose	878	305	577	146410	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1347	NAMED	BJHIKXHVCXFQLS-UYFOZJQFBH	OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	57-48-7	5764	HMDB0000660	C00095	2723872	Polar
adenine	adenine	880	400	554	155319	Nucleotide	Purine Metabolism, Adenine containing	4148	NAMED	GFFGJBXGBJISGV-UHFFFAOYAT	NC1=NC=NC2=C1N=CN2	73-24-5	185	HMDB0000034	C00147	190	Pos Early
cytosine	cytosine	881	400	573	155326	Nucleotide	Pyrimidine Metabolism, Cytidine containing	4253	NAMED	OPTASPLRGRRNAP-UHFFFAOYAY	NC1=NC(NC=C1)=O	71-30-7	577	HMDB0000630	C00380	597	Pos Early
ribose	ribose	914	305	1471	147709	Carbohydrate	Pentose Metabolism	1261	NAMED	PYMYPHUHKUWMLA-LMVFSUKVBD	O=C[C@@H]([C@@H]([C@@H](CO)O)O)O	50-69-1	4470639	HMDB0000283	C00121	5779	Polar
asparagine	asparagine	917	400	512	155306	Amino Acid	Alanine and Aspartate Metabolism	40	NAMED	DCXYFEDJOCDNAF-REOHCLBHBD	NC(C[C@H](N)C(O)=O)=O	70-47-3	6031	HMDB0000168	C00152	6267	Pos Early
dihydroorotate	dihydroorotate	923	305	601	145712	Nucleotide	Pyrimidine Metabolism, Orotate containing	4207	NAMED	UFIVEPVSAGBUSI-UHFFFAOYAI	O=C(C(NC1=O)CC(N1)=O)O	155-54-4	628	HMDB03349	C00337	648	Polar
pyridoxine (Vitamin B6)	pyridoxine (Vitamin B6)	936	209	608	124787	Cofactors and Vitamins	Vitamin B6 Metabolism	4446	NAMED	LXNHXLLTXMVWPM-UHFFFAOYAQ	OC1=C(C)N=CC(CO)=C1CO	58-56-0	1025	HMDB0000239	D08454	1054	Neg
trans-4-hydroxyproline	hydroxyproline	1001	400	32306	155905	Amino Acid	Urea cycle; Arginine and Proline Metabolism	513	NAMED	PMMYEEVYMWASQN-DMTCNVIQBF	O[C@@H]1C[C@@H](C(O)=O)NC1	51-35-4	5605	HMDB0000725	C01157	5810	Pos Early
allantoin	allantoin	1002	305	1107	146424	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4134	NAMED	POJWUDADGALRAB-UHFFFAOYAE	O=C(N1)C(NC(N)=O)NC1=O	97-59-6	199	HMDB0000462	C02348,C01551,C02350	439714,204,439713	Polar
galactitol (dulcitol)	galactitol (dulcitol)	1003	305	1117	146426	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1363	NAMED	FBPFZTCFMRRESA-GUCUJZIJBM	O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO	608-66-2	11357	HMDB0000107	C01697	11850	Polar
xanthine	xanthine	1004	209	3147	123237	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4122	NAMED	LRFVTYWOQMYALW-UHFFFAOYAT	O=C(N1)C(N=CN2)=C2NC1=O	69-89-6	1151	HMDB0000292	C00385	1188	Neg
5-oxoproline	5-oxoproline	1021	209	1494	123209	Amino Acid	Glutathione Metabolism	579	NAMED	ODHCTXKNWHHXJC-VKHMYHEABY	O=C1CC[C@@H]([C@@](O)=O)N1	98-79-3	7127	HMDB0000267	C02237,C01879	439685,7405	Neg
pantothenate	pantothenate (Vitamin B5)	1024	400	1508	155385	Cofactors and Vitamins	Pantothenate and CoA Metabolism	4337	NAMED	GHOKWGTUZJEAQD-ZETCQYMHBS	O=C(NCCC(O)=O)[C@H](O)C(C)(C)CO	137-08-6	6361	HMDB0000210	C00864	6613	Pos Early
pipecolate	pipecolate	1025	400	1444	155369	Amino Acid	Lysine Metabolism	131	NAMED		OC(C1NCCCC1)=O	4043-87-2		HMDB0000070			Pos Early
phosphoethanolamine	phosphoethanolamine (PE)	1026	209	1600	124589	Lipid	Phospholipid Metabolism	2239	NAMED	SUHOOTKUPISOBE-UHFFFAOYAT	NCCOP(O)(O)=O	1071-23-4	990	HMDB0000224	C00346	1015	Neg
gamma-glutamylcysteine	gamma-glutamylcysteine	1036	400	1778	155448	Peptide	Gamma-glutamyl Amino Acid	633	NAMED	RITKHVBHSGLULN-UHFFFAOYAW	O=C(O)C(CS)NC(CCC(N)C(O)=O)=O	636-58-8	819	HMDB0001049	C00669	123938	Pos Early
glycerate	glycerate	1052	305	1572	146444	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1243	NAMED	RBNPOMFGQQGHHO-UHFFFAOYAE	O=C(O)C(O)CO	600-19-1	732	HMDB0000139,HMDB0006372	C00258	439194,752	Polar
3-ureidopropionate	3-ureidopropionate	1053	400	3155	155489	Nucleotide	Pyrimidine Metabolism, Uracil containing	4239	NAMED	JSJWCHRYRHKBBW-UHFFFAOYAH	OC(CCNC(N)=O)=O	462-88-4	109	HMDB0000026	C02642	111	Pos Early
N-acetylmethionine	N-acetylmethionine	1083	209	1589	124587	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	435	NAMED	XUYPXLNMDZIRQH-LURJTMIEBN	O=C(O)[C@H](CCSC)NC(C)=O	65-82-7	395338	HMDB0011745	C02712	448580	Neg
UDP-glucose	UDP-glucose	1096	305	32344	147194	Carbohydrate	Nucleotide Sugar	1380	NAMED	HSCJRCZFDFQWRP-JZMIEXBBBU	OC1C(N(C=CC2=O)C(N2)=O)OC(COP(O)(OP(OC(C(C(O)C3O)O)OC3CO)(O)=O)=O)C1O	117756-22-6	8308	HMDB0000286	C00029	8629	Polar
UDP-glucuronate	UDP-glucuronate	1097	209	2763	125997	Carbohydrate	Nucleotide Sugar	1385	NAMED	HDYANYHVCAPMJV-LXQIFKJMBA	OC1C(N(C=CC2=O)C(N2)=O)OC(COP(OP(OC(C(C(O)C3O)O)OC3C(O)=O)(O)=O)(O)=O)C1O	28053-08-9,63700-19-6	16522	HMDB0000935	C00167	17473	Neg
guanosine	guanosine	1099	209	1573	124583	Nucleotide	Purine Metabolism, Guanine containing	4183	NAMED	NYHBQMYGNKIUIF-UUOKFMHZBU	O=C1C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)=C2N=C(N)N1	118-00-3	6544	HMDB0000133	C00387	6802	Neg
alpha-tocopherol	alpha-tocopherol	1105	402	1561	164189	Cofactors and Vitamins	Tocopherol Metabolism	4361	NAMED	GVJHHUAWPYXKBD-IEOSBIPEBS	CC1=C2C(O[C@@](CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C)(C)CC2)=C(C)C(C)=C1O	10191-41-0,59-02-9	14265	HMDB0001893	C02477	86472	Pos Late
N-acetylcysteine	N-acetylcysteine	1107	400	1586	155420	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	456	NAMED	PWKSKIMOESPYIA-BYPYZUCNBU	OC([C@H](CS)NC(C)=O)=O	616-91-1	11540	HMDB0001890	C06809	12035	Pos Early
N-carbamoylaspartate	N-carbamoylaspartate	1108	305	1594	147490	Nucleotide	Pyrimidine Metabolism, Orotate containing	4206	NAMED	HLKXYZVTANABHZ-MRIHDYNCBG	OC([C@H](CC(O)=O)NC(N)=O)=O	923-37-5	4573859	HMDB0000828	C00438	93072	Polar
N-acetylalanine	N-acetylalanine	1110	305	1585	147717	Amino Acid	Alanine and Aspartate Metabolism	31	NAMED	KTHDTJVBEPMMGL-VKHMYHEABO	O=C(O)[C@@H](NC(C)=O)C	97-69-8	79449	HMDB0000766	C02847	88064	Polar
4-acetamidobutanoate	4-acetamidobutanoate	1113	400	1558	155399	Amino Acid	Polyamine Metabolism	560	NAMED	UZTFMUBKZQVKLK-UHFFFAOYAY	CC(NCCCC(O)=O)=O	3025-96-5	17180	HMDB0003681	C02946	18189	Pos Early
citrate	citrate	1124	209	1564	124575	Energy	TCA Cycle	1440	NAMED	KRKNYBCHXYNGOX-UHFFFAOYAM	OC(CC(CC(O)=O)(O)C(O)=O)=O	77-92-9	305	HMDB0000094	C00158	311	Neg
4-hydroxyphenylpyruvate	4-hydroxyphenylpyruvate	1141	209	1669	124595	Amino Acid	Tyrosine Metabolism	175	NAMED	KKADPXVIOXHVKN-UHFFFAOYAH	OC1=CC=C(CC(C(O)=O)=O)C=C1	156-39-8	954	HMDB0000707	C01179	979	Neg
N-acetylneuraminate	N-acetylneuraminate	1162	400	32377	155919	Carbohydrate	Aminosugar Metabolism	1419	NAMED	KBGAYAKRZNYFFG-BOHATCBPBL	OC1(C(O)=O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1	131-48-6	10292217	HMDB0000230	C00270	439197	Pos Early
acetylphosphate	acetylphosphate	1211	305	15488	146480	Energy	Oxidative Phosphorylation	1467	NAMED	LIPOUNRJVLNBCD-UHFFFAOYAV	O=P(O)(O)OC(C)=O	94249-01-1	181	HMDB0001494	C00227	186	Polar
N-acetylglucosaminylasparagine	N-acetylglucosaminylasparagine	1215	400	48149	157725	Carbohydrate	Aminosugar Metabolism	1431	NAMED	YTTRPBWEMMPYSW-VFFCQLMOBE	O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](NC(CC(N)C(O)=O)=O)[C@@H]1NC(C)=O	2776-93-4	21403014	HMDB0000489	C04540	123826	Pos Early
cytidine 5'-diphosphocholine	CDP-choline	1220	400	34418	156115	Lipid	Phospholipid Metabolism	2235	NAMED	RZZPDXZPRHQOCG-SARFZWSYBB	O[C@]([C@@]1(O)[H])([C@](O[C@](COP(OP(OCC[N+](C)(C)C)(O)=O)([O-])=O)1[H])([H])N2C=CC(N)=NC2=O)[H]	33818-15-4	21531769	HMDB0001413	C00307	13804	Pos Early
creatine	creatine	1221	400	27718	155838	Amino Acid	Creatine Metabolism	528	NAMED	CVSVTCORWBXHQV-UHFFFAOYAV	CN(C(N)=N)CC(O)=O	57-00-1	566	HMDB0000064	C00300	586	Pos Early
N1-methyladenosine	1-methyladenosine	1242	400	15650	155564	Nucleotide	Purine Metabolism, Adenine containing	4154	NAMED	QQBGTSSELNKRID-IOSLPCCCBM	N=C1C2=C(N([C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)C=N2)N=CN1C	15763-06-1	4573813	HMDB0003331	C02494	27476	Pos Early
thymidine 5'-monophosphate	TMP	1248	209	12023	124621	Nucleotide	Pyrimidine Metabolism, Thymine containing	4271	NAMED	GYOZYWVXFNDGLU-JKVVGPQDBW	CC1=CN([C@@]2([H])[C@@]([H])([H])[C@@](O)([H])[C@](COP(O)(O)=O)([H])O2)C(NC1=O)=O	33430-62-5	10239189	HMDB0001227	C00364	9700	Neg
choline	choline	1256	400	15506	155556	Lipid	Phospholipid Metabolism	2233	NAMED	CRBHXDCYXIISFC-UHFFFAOYAW	[O-]CC[N+](C)(C)C	67-48-1	149278	HMDB0000097	C00114	305	Pos Early
S-adenosylmethionine (SAM)	S-adenosylmethionine (SAM)	1263	400	15915	155605	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	445	NAMED		NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](C[S+](CCC(N)C([O-])=O)C)([H])O3	86867-01-8,24346-00-7,86867-0108		HMDB0001185	C00019	34755	Pos Early
adenylosuccinate	adenylosuccinate	1303	209	18360	126834	Nucleotide	Purine Metabolism, Adenine containing	4146	NAMED	OFBHPPMPBOJXRT-UHFFFAOYAA	OC(C1O)C(OC1COP(O)(O)=O)N2C(N=CN=C3NC(C(O)=O)CC(O)=O)=C3N=C2	19046-78-7	190	HMDB0000536	C03794	440122	Neg
S-lactoylglutathione	S-lactoylglutathione	1343	400	15731	155588	Amino Acid	Glutathione Metabolism	575	NAMED	VDYDCVUWILIYQF-UHFFFAOYAT	NC(CCC(NC(CSC(C(O)C)=O)C(NCC(O)=O)=O)=O)C(O)=O	54398-03-7	1053	HMDB0001066	C03451	440018	Pos Early
N-palmitoyl-sphingosine (d18:1/16:0)	N-palmitoyl-sphingosine (d18:1/16:0)	1518	402	44877	164219	Lipid	Ceramides	3022	NAMED	YDNKGFDKKRUKPY-TURZORIXBD	OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCCCCCCCCCC)=O	24696-26-2	4446677	HMDB0004949		5283564	Pos Late
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	1526	402	19263	164198	Lipid	Phosphatidylethanolamine (PE)	2409	NAMED	FHQVHHIBKUMWTI-OTMQOFQLBI	CCCCCCCCC=C/CCCCCCCC(O[C@](COC(CCCCCCCCCCCCCCC)=O)(COP([O-])(OCC[N+]([H])([H])[H])=O)[H])=O	26662-94-2	4446615	HMDB0005320		5283496	Pos Late
1-palmitoyl-2-oleoyl-GPS (16:0/18:1)	1-palmitoyl-2-oleoyl-GPS (16:0/18:1)	1531	402	19261	166254	Lipid	Phosphatidylserine (PS)	2500	NAMED	OIWCYIUQAVBPGV-DAQGAKHBBJ	O=C(CCCCCCC/C=CCCCCCCCC)O[C@@H](COP(OC[C@@H](C(O)=O)N)(O)=O)COC(CCCCCCCCCCCCCCC)=O	40290-44-6	4446618	HMDB0012357	C13880	5283499	Pos Late
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	1537	402	42446	165129	Lipid	Phosphatidylcholine (PC)	2287	NAMED	JLPULHDHAOZNQI-ZTIMHPMXBU	O=P([O-])(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCC/C=CC/C=CCCCCC)=O)OCC[N+](C)(C)C	40811-94-7	4450224	HMDB0007973		5287971	Pos Late
stearoyl sphingomyelin (d18:1/18:0)	stearoyl sphingomyelin (d18:1/18:0)	1538	402	19503	164530	Lipid	Sphingomyelins	3106	NAMED	LKQLRGMMMAHREN-YJFXYUILBI	CCCCCCCCCCCCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O	85187-10-6,85187-10-6	4956085	HMDB0001348	C00550	6453725	Pos Late
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	1539	402	52461	165127	Lipid	Phosphatidylcholine (PC)	2284	NAMED	WTJKGGKOPKCXLL-MRCUWXFGBH	O=C(CCCCCCC/C=CCCCCCCCC)O[C@@H](COC(CCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O	26853-31-6,26853-31-6	4940699	HMDB0007972	C13875	6436017	Pos Late
N-stearoyl-sphingosine (d18:1/18:0)*	N-stearoyl-sphingosine (d18:1/18:0)*	1547	402	54979	208064	Lipid	Ceramides	3026	NAMED	VODZWWMEJITOND-NXCSZAMKBA	OC[C@H](NC(CCCCCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CCCCCCCCCCCCC	104404-17-3	4446678	HMDB0004950		5283565	Pos Late
carnitine	carnitine	100000007	400	15500	155554	Lipid	Carnitine Metabolism	1933	NAMED	PHIQHXFUZVPYII-ZCFIWIBFBS	[O-]C(C[C@@H](O)C[N+](C)(C)C)=O	461-05-2	10455	HMDB0000062	C00487,C00308	288	Pos Early
benzoate	benzoate	100000008	209	15778	124867	Xenobiotics	Benzoate Metabolism	4477	NAMED	WPYMKLBDIGXBTP-UHFFFAOYAD	OC(C1=CC=CC=C1)=O	65-85-0	238	HMDB0001870	C00180	243	Neg
hippurate	hippurate	100000014	209	15753	124647	Xenobiotics	Benzoate Metabolism	4463	NAMED	QIAFMBKCNZACKA-UHFFFAOYAD	O=C(C1=CC=CC=C1)NCC(O)=O	495-69-2	451	HMDB0000714	C01586	464	Neg
methionine sulfoxide	methionine sulfoxide	100000039	400	18374	155665	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	440	NAMED	QEFRNWWLZKMPFJ-YGVKFDHGBW	O=C(O)[C@@H](N)CCS(C)=O	3226-65-1	139840	HMDB0002005	C02989	158980	Pos Early
4-guanidinobutanoate	4-guanidinobutanoate	100000096	400	15681	155572	Amino Acid	Guanidino and Acetamido Metabolism	563	NAMED	TUHVEAJXIMEOSA-UHFFFAOYAM	N=C(N)NCCCC(O)=O	463-003,463-00-3	486	HMDB0003464	C01035	500	Pos Early
2'-deoxycytidine	2'-deoxycytidine	100000125	400	15949	155608	Nucleotide	Pyrimidine Metabolism, Cytidine containing	4263	NAMED	CKTSBUTUHBMZGZ-SHYZEUOFBO	[H][C@]1([H])[C@@](O)([H])[C@](CO)([H])O[C@]1(N2C(N=C(N)C=C2)=O)[H]	951-77-9	13117	HMDB0000014	C00881	13711	Pos Early
2'-deoxyinosine	2'-deoxyinosine	100000135	209	15076	124625	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4128	NAMED	VGONTNSXDCQUGY-RRKCRQDMBC	OC[C@@H]1[C@H](C[C@H](N2C=NC3=C2N=CN=C3O)O1)O	890-38-0	58569	HMDB0000071	C05512	135398593	Neg
3'-dephosphocoenzyme A	3'-dephosphocoenzyme A	100000138	209	18289	126832	Cofactors and Vitamins	Pantothenate and CoA Metabolism	4341	NAMED	KDTSHFARGAKYJN-IBOSZNHHBK	SCCNC(CCNC([C@H](O)C(C)(C)COP(OP(OC[C@H]([C@H]1O)O[C@H]([C@@H]1O)N2C=NC3=C2N=CN=C3N)(O)=O)(O)=O)=O)=O	3633-59-8	392407	HMDB0001373	C00882	444485	Neg
glucuronate	glucuronate	100000257	305	15443	146478	Carbohydrate	Aminosugar Metabolism	1407	NAMED	IAJILQKETJEXLJ-QTBDOELSBX	O[C@@H]1O[C@H]([C@](O)=O)[C@@H](O)[C@H](O)[C@H]1O	207300-70-7	58552	HMDB0000127	C16245	441478,23677976,94715,65041,444791	Polar
glycerol 3-phosphate	glycerol 3-phosphate	100000258	400	43847	157058	Lipid	Glycerolipid Metabolism	2843	NAMED	AWUCVROLDVIAJX-UHFFFAOYAM	O=P(O)(OCC(CO)O)O	29849-82-9	734	HMDB0000126	C0093	754	Pos Early
imidazole lactate	imidazole lactate	100000263	400	15716	155583	Amino Acid	Histidine Metabolism	83	NAMED	ACZFBYCNAVEFLC-YFKPBYRVBI	OC(C(O)=O)CC1=CN=CN1	14403-45-3	389128	HMDB0002320	C05568	793	Pos Early
glycerophosphorylcholine (GPC)	glycerophosphorylcholine (GPC)	100000269	400	15990	155613	Lipid	Phospholipid Metabolism	2237	NAMED	SUHOQUVVVLNYQR-MRVPVSSYBR	O=P(OCC[N+](C)(C)C)([O-])OC[C@H](O)CO	28319-77-9	571409	HMDB0000086	C00670	71920	Pos Early
N-acetylglutamate	N-acetylglutamate	100000282	400	15720	155584	Amino Acid	Glutamate Metabolism	47	NAMED	RFMMMVDNIPUKGG-QUCRTXIXBK	O=C(O)CC[C@@H](C(O)=O)NC(C)=O	5817-08-3	1266066	HMDB0001138	C00624	70914	Pos Early
UDP-galactose	UDP-galactose	100000298	305	15860	147164	Carbohydrate	Nucleotide Sugar	1384	NAMED	HSCJRCZFDFQWRP-ABVWGUQPBC	O[C@H]([C@@H]1O)[C@@H](O[C@@H]1COP(OP(O[C@H]([C@H](O)[C@H]2O)O[C@H](CO)[C@@H]2O)(O)=O)(O)=O)N(C=CC3=O)C(N3)=O	137868-52-1,91183-98-1,2956-16-3	17069	HMDB0000302	C00052	18068	Polar
xanthosine	xanthosine	100000299	209	15136	124851	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4124	NAMED	UBORTCNDUKBEOP-UUOKFMHZBM	OC1=C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)C2=NC(O)=N1	146-80-5	58484	HMDB0000299	C01762	64959	Neg
phosphopantetheine	phosphopantetheine	100000328	209	15504	124857	Cofactors and Vitamins	Pantothenate and CoA Metabolism	4340	NAMED	JDMUPRLRUUMCTL-VIFPVBQEBX	O=P(OCC(C)(C)[C@@H](O)C(NCCC(NCCS)=O)=O)(O)O	NA	103123	HMDB0001416	C01134	987	Neg
ribitol	ribitol	100000406	305	15772	146492	Carbohydrate	Pentose Metabolism	1262	NAMED	HEBKCHPVOIAQTA-ZXFHETKHBG	OC[C@@H](O)[C@@H](O)[C@@H](O)CO	488-81-3	10254628	HMDB0002917,HMDB0001851,HMDB0000568,HMDB0000508	C00379,C01904,C00474,C00532	6912	Polar
5-aminovalerate	5-aminovalerate	100000454	400	18319	155648	Amino Acid	Lysine Metabolism	136	NAMED	JJMDCOVWQOJGCB-UHFFFAOYAD	OC(CCCCN)=O	660-88-8	135	HMDB0003355	C00431	138	Pos Early
itaconate	itaconate	100000455	305	18373	147757	Energy	TCA Cycle	1456	NAMED	LVHBHZANLOWSRM-UHFFFAOYAS	C=C(C(O)=O)CC(O)=O	97-65-4	789	HMDB0002092	C00490	811	Polar
indolelactate	indolelactate	100000463	209	18349	124659	Amino Acid	Tryptophan Metabolism	298	NAMED	XGILAAMKEQUXLS-UHFFFAOYAH	OC(C(O)=O)CC1=CNC2=C1C=CC=C2	832-97-3	83867	HMDB0000671	C02043	92904	Neg
2'-deoxyadenosine 5'-monophosphate	2'-deoxyadenosine 5'-monophosphate	100000485	400	46333	157176	Nucleotide	Purine Metabolism, Adenine containing	4168	NAMED	KHWCHTKSEGGWEX-UHFFFAOYAP	NC1=C2C(N(C3C([H])C(O)C(COP(O)(O)=O)O3)C=N2)=NC=N1	653-63-4	601	HMDB0000905	C00360	12599	Pos Early
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	100000616	402	52449	208070	Lipid	Phosphatidylinositol (PI)	2557	NAMED	KRTOMQDUKGRFDJ-OALUUITLBO	CCCCCCCCCCCCCCCCCC(OC[C@]([H])(COP(O)(O[C@](C(O)(C(O)(C(O)([C@](O)1[H])[H])[H])[H])([C@]1(O)[H])[H])=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)=O	383907-33-3	21403055	HMDB0009815			Pos Late
1-stearoyl-2-oleoyl-GPS (18:0/18:1)	1-stearoyl-2-oleoyl-GPS (18:0/18:1)	100000639	402	19265	180966	Lipid	Phosphatidylserine (PS)	2506	NAMED	AJFWREUFUPEYII-PAHWMLEVBX	CCCCCCCCCCCCCCCCCC(OC[C@]([H])(COP(O)(OC[C@]([NH3+])(C([O-])=O)[H])=O)OC(CCCCCCC/C=CCCCCCCCC)=O)=O		7826037	HMDB0010163		9547087	Pos Late
1-palmitoyl-2-oleoyl-GPG (16:0/18:1)	1-palmitoyl-2-oleoyl-GPG (16:0/18:1)	100000641	402	52448	208095	Lipid	Phosphatidylglycerol (PG)	2520	NAMED	PAZGBAOHGQRCBP-DDDNOICHBU	OCC(COP(O)(OC[C@@]([H])(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCC/C=CCCCCCCCC)=O)=O)O		4446626			70789105	Pos Late
1-stearoyl-2-linoleoyl-GPS (18:0/18:2)	1-stearoyl-2-linoleoyl-GPS (18:0/18:2)	100000642	402	53009	166338	Lipid	Phosphatidylserine (PS)	2507	NAMED	AGTPCXBHIGMTEU-NREGDSCDBU	CCCCCC=C/CC=C/CCCCCCCC(O[C@](COC(CCCCCCCCCCCCCCCCC)=O)(COP(O)(OC[C@]([NH3+])(C([O-])=O)[H])=O)[H])=O	322647-11-0	7826041			9547091	Pos Late
1-stearoyl-GPI (18:0)	1-stearoyl-GPI (18:0)	100000656	209	19324	128173	Lipid	Lysophospholipid	2722	NAMED	LXUGKKVCSTYZFK-DYLKWFMLBW	[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCCCCCCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O	796963-93-4	21403067	HMDB0240261		71581135,42607495	Neg
1,2-dipalmitoyl-GPC (16:0/16:0)	1,2-dipalmitoyl-GPC (16:0/16:0)	100000657	402	19130	164201	Lipid	Phosphatidylcholine (PC)	2279	NAMED	KILNVBDSWZSGLL-KXQOOQHDBV	CCCCCCCCCCCCCCCC(OC[C@]([H])(COP([O-])(OCC[N+](C)(C)C)=O)OC(CCCCCCCCCCCCCCC)=O)=O	63-89-8	398235	HMDB0000564	D03585	452110	Pos Late
1,2-distearoyl-GPC (18:0/18:0)	1,2-distearoyl-GPC (18:0/18:0)	100000660	402	19132	164204	Lipid	Phosphatidylcholine (PC)	2322	NAMED	NRJAVPSFFCBXDT-HUESYALOBJ	CCCCCCCCCCCCCCCCCC(OC[C@]([H])(COP([O-])(OCC[N+](C)(C)C)=O)OC(CCCCCCCCCCCCCCCCC)=O)=O	816-94-4	85004	HMDB0008036		94190	Pos Late
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	100000672	402	19258	164196	Lipid	Phosphatidylcholine (PC)	2263	NAMED	RFVFQQWKPSOBED-PSXMRANNBM	CCCCCCCCCCCCCCCC(O[C@](COC(CCCCCCCCCCCCC)=O)(COP([O-])(OCC[N+](C)(C)C)=O)[H])=O	69525-80-0	114798	HMDB0007869		129657	Pos Late
5-methylcytidine	5-methylcytidine	100000763	400	22119	155786	Nucleotide	Pyrimidine Metabolism, Cytidine containing	4256	NAMED	ZAYHVCMSTBRABG-JXOAFFINBK	O[C@H]1[C@@H](O)[C@H](N2C(N=C(N)C(C)=C2)=O)O[C@@H]1CO	2140-61-6	83877	HMDB0000982		92918	Pos Early
palmitoylcarnitine (C16)	palmitoylcarnitine (C16)	100000776	402	44681	159624	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	1865	NAMED	XOMRRQXKHMYMOC-UHFFFAOYAU	[O-]C(CC(OC(CCCCCCCCCCCCCCC)=O)C[N+](C)(C)C)=O	6865-14-1	448	HMDB0000222	C02990	461	Pos Late
hexanoylcarnitine (C6)	hexanoylcarnitine (C6)	100000781	400	32328	155906	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	1845	NAMED	VVPRQWTYSNDTEA-UHFFFAOYAN	O=C(CCCCC)OC(CC([O-])=O)C[N+](C)(C)C	6920-35-0	4932273	HMDB0000756		6426853	Pos Early
N-acetylaspartate (NAA)	N-acetylaspartate (NAA)	100000787	305	22185	147184	Amino Acid	Alanine and Aspartate Metabolism	37	NAMED	OTCCIMWXFLJLIA-BYPYZUCNBM	OC([C@@H](NC(C)=O)CC(O)=O)=O	997-55-7,997-55-7	58576	HMDB0000812	C01042	65065	Polar
acetylcarnitine (C2)	acetylcarnitine (C2)	100000802	400	32198	155890	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Short Chain)	1841	NAMED	RDHQFKQIGNGIED-MRVPVSSYBU	C[N+](C)(C)C[C@H](OC(C)=O)CC([O-])=O	5080-50-2	5406074	HMDB0000201	C02571	7045767	Pos Early
cysteine s-sulfate	cysteine s-sulfate	100000808	209	22176	143847	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	461	NAMED	NOKPBJYHPHHWAN-REOHCLBHBK	N[C@H](C(O)=O)CSS(O)(=O)=O	1637-71-4	102939	HMDB0000731	C05824	115015	Neg
HEPES	HEPES	100000843	209	21248	124903	Xenobiotics	Chemical	6164	NAMED	JKMHFZQWWAIEOD-UHFFFAOYAC	OCCN1CCN(CCS(O)(=O)=O)CC1	7365-45-9	22278			23831	Neg
erythritol	erythritol	100000846	305	20699	146508	Xenobiotics	Food Component/Plant	4896	NAMED	UNXHWFMMPAWVPI-UHFFFAOYAU	OCC(O)C(CO)O	149-32-6	13835932	HMDB0002994	C00503	222285	Polar
1-oleoylglycerol (18:1)	1-oleoylglycerol (18:1)	100000924	209	21184	126057	Lipid	Monoacylglycerol	2856	NAMED	RZRNAYUHWVFMIP-KTKRTIGZBM	O=C(OCC(O)CO)CCCCCCC/C=CCCCCCCCC	111-03-5	4446588	HMDB0011567		5283468	Neg
2-oleoylglycerol (18:1)	2-oleoylglycerol (18:1)	100000943	209	21232	126858	Lipid	Monoacylglycerol	2872	NAMED	UPWGQKDVAURUGE-KTKRTIGZBO	O=C(OC(CO)CO)CCCCCCC/C=CCCCCCCCC	3443-84-3	4478086	HMDB0011537		5319879	Neg
ribonate	ribonate	100001007	305	27731	147186	Carbohydrate	Pentose Metabolism	1263	NAMED	QXKAIJAYHKCRRA-BXXZVTAOBP	OC([C@H](O)[C@H](O)[C@H](O)CO)=O	5336-08-3	4574162	HMDB0000867	C01685	5460677	Polar
threonate	threonate	100001022	305	27738	146524	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	4354	NAMED	JPIJQSOTBSSVTP-GBXIJSLDBD	O=C(O)C(O)([H])C([H])(O)CO	70753-61-6	133224	HMDB0062620,HMDB0000943	C01620	151152,5460407	Polar
butyrylcarnitine (C4)	butyrylcarnitine (C4)	100001054	400	32412	155935	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	1769	NAMED	QWYFHHGCZUCMBN-SECBINFHBA	CCCC(O[C@H](CC([O-])=O)C[N+](C)(C)C)=O	25576-40-3	184820	HMDB0002013	C02862	439829	Pos Early
isobutyrylcarnitine (C4)	isobutyrylcarnitine (C4)	100001055	400	33441	156017	Amino Acid	Leucine, Isoleucine and Valine Metabolism	426	NAMED		CC(C)C(O[C@@H](CC([O-])=O)C[N+](C)(C)C)=O	25518-49-4		HMDB0000736		168379	Pos Early
trigonelline (N'-methylnicotinate)	trigonelline (N'-methylnicotinate)	100001092	400	32401	155930	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	4323	NAMED	WWNNZCOKKKDOPX-UHFFFAOYAV	C[N+]1=CC(C([O-])=O)=CC=C1	535-83-1	5369	HMDB0000875	C01004	5570	Pos Early
propionylcarnitine (C3)	propionylcarnitine (C3)	100001162	400	32452	155955	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	1772	NAMED	UFAHZIUFPNSHSL-UHFFFAOYAT	[O-]C(CC(OC(CC)=O)C[N+](C)(C)C)=O	17298-37-2	96904	HMDB0000824	C03017	107738	Pos Early
1-methyl-4-imidazoleacetate	1-methyl-4-imidazoleacetate	100001208	400	32350	155911	Amino Acid	Histidine Metabolism	91	NAMED	ZHCKPJGJQOPTLB-UHFFFAOYAW	O=C(O)CC1=CN(C)C=N1	2625-49-2	68319	HMDB0002820	C05828	75810	Pos Early
N-acetylglutamine	N-acetylglutamine	100001253	400	33943	156041	Amino Acid	Glutamate Metabolism	48	NAMED	KSMRODHGGIIXDV-YFKPBYRVBV	OC([C@H](CCC(N)=O)NC(C)=O)=O	2490-97-3	158492	HMDB0006029	C02716	182230	Pos Early
N-acetylasparagine	N-acetylasparagine	100001257	400	33942	156040	Amino Acid	Alanine and Aspartate Metabolism	42	NAMED	HXFOXFJUNFFYMO-BYPYZUCNBZ	OC([C@@H](NC(C)=O)CC(N)=O)=O	4033-40-3	90090	HMDB0006028		99715	Pos Early
glycylleucine	glycylleucine	100001258	400	34398	156101	Peptide	Dipeptide	819	NAMED	DKEXFJVMVGETOO-LURJTMIEBJ	OC([C@@H](NC(CN)=O)CC(C)C)=O	869-19-2	83812	HMDB0000759	C02155	92843	Pos Early
S-methylglutathione	S-methylglutathione	100001259	400	33944	156042	Amino Acid	Glutathione Metabolism	574	NAMED	QTQDDTSVRVWHMO-UHFFFAOYAD	O=C(NCC(O)=O)C(CSC)NC(CCC(N)C(O)=O)=O	2922-56-7	2841309		C11347	115260	Pos Early
1-palmitoyl-GPC (16:0)	1-palmitoyl-GPC (16:0)	100001263	402	33955	158599	Lipid	Lysophospholipid	2601	NAMED	ASWBNKHCZGQVJV-UHFFFAOYAM	O=P(OCC[N+](C)(C)C)([O-])OCC(O)COC(CCCCCCCCCCCCCCC)=O	17364-16-8	78064	HMDB0010382	C04102	86554	Pos Late
N-acetylarginine	N-acetylarginine	100001266	400	33953	156051	Amino Acid	Urea cycle; Arginine and Proline Metabolism	499	NAMED	SNEIUMQYRCDYCH-LURJTMIEBE	O=C(O)[C@@H](NC(C)=O)CCCNC(N)=N	155-84-0	60752	HMDB0004620	C02562	67427	Pos Early
1-stearoyl-GPC (18:0)	1-stearoyl-GPC (18:0)	100001271	402	33961	158603	Lipid	Lysophospholipid	2612	NAMED	IHNKQIMGVNPMTC-RUZDIDTEBJ	O[C@H](COC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O	19420-57-6	435389	HMDB0010384		497300	Pos Late
1-oleoyl-GPC (18:1)	1-oleoyl-GPC (18:1)	100001272	402	48258	160285	Lipid	Lysophospholipid	2614	NAMED	YAMUFBLWGFFICM-PTGWMXDIBX	O[C@H](COC(CCCCCCC/C=CCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O	19420-56-5	17240641	HMDB0002815	C03916	16081932	Pos Late
N-acetylthreonine	N-acetylthreonine	100001274	400	33939	156037	Amino Acid	Glycine, Serine and Threonine Metabolism	18	NAMED	PEDXUVCGOLSNLQ-UHFFFAOYAC	CC(O)C(C(O)=O)NC(C)=O	17093-74-2	3841173	HMDB0062557		152204	Pos Early
phenylacetylglycine	phenylacetylglycine	100001275	209	33945	126103	Peptide	Acetylated Peptides	1190	NAMED	UTYVDVLMYQPLQB-UHFFFAOYAZ	OC(CNC(CC1=CC=CC=C1)=O)=O	500-98-1	61452	HMDB0000821	C05598	68144	Neg
nicotinamide riboside	nicotinamide riboside	100001310	400	33013	155997	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	4308	NAMED		NC(C1=C[N+](C2C(C(C(C[O-])O2)O)O)=CC=C1)=O	1341-23-7		HMDB0000855	C03150	439924	Pos Early
erythronate*	erythronate*	100001320	305	42420	148204	Carbohydrate	Aminosugar Metabolism	1432	NAMED	JPIJQSOTBSSVTP-PWNYCUMCBA	OC[C@@H](O)[C@@H](O)C(O)=O	88759-55-1	2061231	HMDB0000613		2781043	Polar
eicosenoate (20:1)	eicosenoate (20:1n9 or 1n11)	100001335	209	33587	143715	Lipid	Long Chain Monounsaturated Fatty Acid	1544	NAMED	BITHHVVYSMSWAG-KTKRTIGZBC	O=C(O)CCCCCCCCC/C=CCCCCCCCC		4445895	HMDB0002231,HMDB0062436	C16526	5282768,5282769,94159	Neg
aconitate [cis or trans]	aconitate [cis or trans]	100001359	209	46173	144239	Energy	TCA Cycle	1442	NAMED					HMDB0000958,HMDB000072	C004174,C02341	444212,643757	Neg
heme	heme	100001386	402	41754	159409	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	4408	NAMED		CC1=C(CCC(O)=O)C(/C=C(C(CCC([O-])=O)=C/2C)[N-]C2=C/C3=N/C(C(C=C)=C3C)=C)=N/C1=CC(N([Fe+2])C4=C5C)=C5C=C	14875-96-8		HMDB0003178	C00032	26945	Pos Late
stearoylcarnitine (C18)	stearoylcarnitine (C18)	100001391	402	34409	158657	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	1867	NAMED	FNPHNLNTJNMAEE-HSZRJFAPBW	[O-]C(C[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)C[N+](C)(C)C)=O	18822-91-8	21233653	HMDB0000848		3006797	Pos Late
isovalerylcarnitine (C5)	isovalerylcarnitine (C5)	100001393	400	34407	156109	Amino Acid	Leucine, Isoleucine and Valine Metabolism	354	NAMED	IGQBPDJNUXPEMT-UHFFFAOYAB	[O-]C(CC(C[N+](C)(C)C)OC(CC(C)C)=O)=O	31023-24-2	4932271	HMDB0000688	C20826	169235	Pos Early
1-linoleoyl-GPC (18:2)	1-linoleoyl-GPC (18:2)	100001395	402	34419	158662	Lipid	Lysophospholipid	2617	NAMED	SPJFYYJXNPEZDW-UTJQPWESBU	O=P(OCC(O)COC(CCCCCCC/C=CC/C=CCCCCC)=O)([O-])OCC[N+](C)(C)C		10160888	HMDB0010386	C04100	11988421	Pos Late
cytidine-5'-diphosphoethanolamine	CDP-ethanolamine	100001407	400	34410	156112	Lipid	Phospholipid Metabolism	2240	NAMED	WVIMUEUQJFPNDK-UHFFFAOYAX	OC1C(N(C=CC(N)=N2)C2=O)OC(COP(OP(OCCN)(O)=O)(O)=O)C1O	72842-05-8	287	HMDB0001564	C00570	123727	Pos Early
N2,N2-dimethylguanosine	N2,N2-dimethylguanosine	100001412	400	35137	156155	Nucleotide	Purine Metabolism, Guanine containing	4193	NAMED	RSPURTUNRHNVGF-IOSLPCCCBE	O=C1C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)=C2N=C(N(C)C)N1	2140-67-2	83878	HMDB0004824		135501639	Pos Early
N6-carbamoylthreonyladenosine	N6-carbamoylthreonyladenosine	100001415	400	35157	156161	Nucleotide	Purine Metabolism, Adenine containing	4165	NAMED	GYCVHQYQICRFAX-GQFURFNTBM	OC(C)C(C(O)=O)NC(NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=O	24719-82-2	141829	HMDB0041623		161466	Pos Early
orotidine	orotidine	100001416	305	35172	147813	Nucleotide	Pyrimidine Metabolism, Orotate containing	4210	NAMED	FKCRAVPPBFWEJD-XVFCMESIBQ	O=C(C=C(C(O)=O)N1[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)NC1=O	314-50-1	83729	HMDB0000788		92751	Polar
5,6-dihydrouridine	5,6-dihydrouridine	100001425	209	61833	218435	Nucleotide	Pyrimidine Metabolism, Uracil containing	4223	NAMED	ZPTBLXKRQACLCR-XVFCMESIBI	OC[C@H]1O[C@@H](N2CCC(NC2=O)=O)[C@@H]([C@@H]1O)O	5627-05-4	85115	HMDB0000497		94312	Neg
cysteine-glutathione disulfide	cysteine-glutathione disulfide	100001437	400	35159	161190	Amino Acid	Glutathione Metabolism	573	NAMED	BNRXZEPOHPEEAS-UHFFFAOYAL	NC(C(O)=O)CCC(NC(CSSCC(N)C(O)=O)C(NCC(O)=O)=O)=O	13081-14-6	3455404	HMDB0000656	R00900	3080690	Pos Early
adenosine 3'-monophosphate (3'-AMP)	3'-AMP	100001449	209	35142	126972	Nucleotide	Purine Metabolism, Adenine containing	4141	NAMED	LNQVTSROQXJCDD-RWLQFSFNBK	NC1=NC=NC2=C1N=CN2[C@@]([C@@]([C@@]3(OP(O)(O)=O)[H])(O)[H])(O[C@](CO)3[H])[H]	84-21-9	10463793	HMDB0003540	C01267	41211	Neg
1-stearoyl-GPE (18:0)	1-stearoyl-GPE (18:0)	100001461	402	42398	159466	Lipid	Lysophospholipid	2670	NAMED	BBYWOYAFBUOUFP-JOCHJYFZBR	O=P(OCC[NH3+])([O-])OC[C@H](O)COC(CCCCCCCCCCCCCCCCC)=O	69747-55-3	7826018	HMDB0011130		9547068	Pos Late
3-methylcytidine	3-methylcytidine	100001466	400	35132	156151	Nucleotide	Pyrimidine Metabolism, Cytidine containing	4255	NAMED	BWXZYULEOLQCKN-NNRPTJCQBK	O[C@]([C@@]1(O)[H])([C@](O[C@](CO)1[H])([H])N2C=CC(N(C)C2=O)=N)[H]	21028-20-6	9164190	HMDB0240577		14237477	Pos Early
N-glycolylneuraminate	N-glycolylneuraminate	100001491	400	37123	156335	Carbohydrate	Aminosugar Metabolism	1435	NAMED	FDJKUWYYUZCUJX-UHFFFAOYAD	OC(C1(O)OC(C(NC(CO)=O)C(C1)O)C(C(CO)O)O)=O	1113-83-3	3794850	HMDB0000833	C03410	123802	Pos Early
pantetheine	pantetheine	100001495	209	57555	212090	Cofactors and Vitamins	Pantothenate and CoA Metabolism	4339	NAMED	ZNXZGRMVNNHPCA-VIFPVBQEBP	O=C(NCCC(NCCS)=O)[C@H](O)C(C)(C)CO	496-65-1	388453	HMDB0003426	C00831	439322	Neg
oleoylcarnitine (C18:1)	oleoylcarnitine (C18:1)	100001501	402	35160	158710	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	1887	NAMED	IPOLTUVFXFHAHI-WHIOSMTNBE	[O-]C(C[C@@H](OC(CCCCCCC/C=CCCCCCCCC)=O)C[N+](C)(C)C)=O	38677-66-6	21403150	HMDB0005065		6441392	Pos Late
2-methylbutyrylcarnitine (C5)	2-methylbutyrylcarnitine (C5)	100001509	400	45095	157090	Amino Acid	Leucine, Isoleucine and Valine Metabolism	397	NAMED	IHCPDBBYTYJYIL-UHFFFAOYAT	CCC(C)C(OC(CC([O-])=O)C[N+](C)(C)C)=O	31023-25-3	4932320	HMDB0000378		6426901	Pos Early
1-palmitoleoyl-GPC (16:1)*	1-palmitoleoyl-GPC* (16:1)*	100001511	402	33230	158553	Lipid	Lysophospholipid	2603	NAMED	LFUDDCMNKWEORN-KHPPLWFEBO	O=P(OCC[N+](C)(C)C)([O-])OCC(O)COC(CCCCCCC/C=CCCCCCC)=O		21403152	HMDB0010383		24779461	Pos Late
glutamine_degradant*	glutamine_degradant*	100001540	400	46225	157124	Partially Characterized Molecules	Partially Characterized Molecules	6453	NAMED	NPWMTBZSRRLQNJ-UHFFFAOYAH	O=C(CCC1N)NC1=O	2353-44-8					Pos Early
homostachydrine*	homostachydrine*	100001550	400	33009	155996	Xenobiotics	Food Component/Plant	4934	NAMED	XULZWQRXYTVUTE-ZETCQYMHBF	C[N+]1(C)[C@@H](CCCC1)[C@]([O-])=O	1195-94-4	390180	HMDB0033433	C08283	441447	Pos Early
2-palmitoleoyl-GPC (16:1)*	2-palmitoleoyl-GPC* (16:1)*	100001561	402	35819	158780	Lipid	Lysophospholipid	2604	NAMED	GKXPPJQBVCKAGD-DJYGDJEFBY	OC[C@](OC(CCCCCCCC/C=CCCCCC)=O)([H])COP(OCC[N+](C)(C)C)([O-])=O		21403164	HMDB10383		122164832	Pos Late
1-palmitoyl-GPE (16:0)	1-palmitoyl-GPE (16:0)	100001567	402	35631	158748	Lipid	Lysophospholipid	2663	NAMED	YVYMBNSKXOXSKW-HXUWFJFHBX	O=P(OCC[NH3+])([O-])OC[C@H](O)COC(CCCCCCCCCCCCCCC)=O	53862-35-4	7826019	HMDB0011503		9547069	Pos Late
1-oleoyl-GPE (18:1)	1-oleoyl-GPE (18:1)	100001569	402	35628	158745	Lipid	Lysophospholipid	2672	NAMED	PYVRVRFVLRNJLY-MZMPXXGTBD	O=P(OCC[NH3+])([O-])OC[C@H](O)COC(CCCCCCCC=C/CCCCCCCC)=O	89576-29-4	7826021	HMDB0011506		9547071	Pos Late
1-linoleoyl-GPE (18:2)*	1-linoleoyl-GPE (18:2)*	100001570	402	36600	158788	Lipid	Lysophospholipid	2674	NAMED	DBHKHNGBVGWQJE-HZJYTTRNBF	O=P(OCC(O)COC(CCCCCCC/C=CC/C=CCCCCC)=O)(O)OCCN		21403170	HMDB0011507		52925130	Pos Late
gulonate*	gulonate*	100001586	305	46957	148205	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	4358	NAMED	RGHNJXZEOKUKBD-NRXMZTRTBF	OC([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)=O	20246-53-1	7969943	HMDB0003290	C00800	152304	Polar
cholesterol sulfate	cholesterol sulfate	100001606	305	35324	238705	Lipid	Sterol	3194	NAMED	BHYOQNUELFTYRT-WHYDCBPWBW	CC1(C2C(C)CCCC(C)C)C(CC2)C(CC=C3C4(CCC(OS(=O)(O)=O)C3)C)C4CC1	2864-50-8	4371550	HMDB00653	C18043	65076	Polar
glycerophosphoglycerol	glycerophosphoglycerol	100001619	305	48857	160476	Lipid	Glycerolipid Metabolism	2848	NAMED	LLCSXHMJULHSJN-UHFFFAOYAC	OC(CO)COP(O)(OCC(CO)O)=O		388990	HMDB0240316	C03274	54575349	Polar
glycerophosphoethanolamine	glycerophosphoethanolamine	100001620	400	37455	156380	Lipid	Phospholipid Metabolism	2241	NAMED	JZNWSCPGTDBMEW-UHFFFAOYAI	O=P(OCCN)(O)OCC(CO)O	33049-08-0	110410	HMDB0000114	C01233	123874	Pos Early
glycerophosphoinositol*	glycerophosphoinositol*	100001621	400	52307	164336	Lipid	Phospholipid Metabolism	2243	NAMED		[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(CO)O)=O)([C@]1(O)[H])[H])O	16824-65-0				167572	Pos Early
sedoheptulose-7-phosphate	sedoheptulose-7-phosphate	100001628	209	35649	128257	Carbohydrate	Pentose Phosphate Pathway	1257	NAMED	JDTUMPKOJBQPKX-UHFFFAOYAT	OP(OCC(C(C(C(C(CO)=O)O)O)O)O)(O)=O	2646-35-7	596	HMDB0001068	C05382	616	Neg
deoxycarnitine	deoxycarnitine	100001662	400	36747	156251	Lipid	Carnitine Metabolism	1932	NAMED	JHPNVNIEXXLNTR-UHFFFAOYAL	C[N+](C)(C)CCCC([O-])=O	6249-56-5	705	HMDB0001161	C01181	22620	Pos Early
N6-succinyladenosine	N6-succinyladenosine	100001664	209	48130	151119	Nucleotide	Purine Metabolism, Adenine containing	4175	NAMED		OCC(O1)C(O)C(O)C1N2C=NC3=C(NC(CC(O)=O)C(O)=O)N=CN=C32	4542-23-8		HMDB0000912		165243	Neg
1-ribosyl-imidazoleacetate*	1-ribosyl-imidazoleacetate*	100001668	400	61868	218616	Amino Acid	Histidine Metabolism	96	NAMED	AHPWEWASPTZMEK-UHFFFAOYAY	OCC(O1)C(O)C(O)C1N2C=NC(CC(O)=O)=C2	29605-99-0	4292299	HMDB0002331	C05131	440569	Pos Early
adenosine 2'-monophosphate (2'-AMP)	2'-AMP	100001694	209	36815	128305	Nucleotide	Purine Metabolism, Adenine containing	4142	NAMED		NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](OP(O)(O)=O)([H])[C@@](O)([H])[C@](CO)([H])O3	130-49-4		HMDB0011617	C00946	94136	Neg
phenol red	phenol red	100001724	209	36817	128307	Xenobiotics	Chemical	6189	NAMED	BELBBZDIHDAJOR-UHFFFAOYAB	OC1=CC=C(C(C2=CC=C(O)C=C2)(OS3(=O)=O)C4=C3C=CC=C4)C=C1	143-74-8	4602		C12600	4766	Neg
mannitol/sorbitol	mannitol/sorbitol	100001740	305	46142	146560	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1352	NAMED	FBPFZTCFMRRESA-UHFFFAOYAI	OCC(O)C(O)C(O)C(O)CO		440	HMDB0000247,HMDB0000765	C00392,C00794	5780,6251	Polar
methylphosphate	methylphosphate	100001805	400	37070	156293	Nucleotide	Purine and Pyrimidine Metabolism	4285	NAMED	CAAULPUQFIIOTL-UHFFFAOYAW	O=P(O)(O)OC	7023-27-0	12578	HMDB61711		13130	Pos Early
dimethylarginine (SDMA + ADMA)	dimethylarginine (ADMA + SDMA)	100001810	400	36808	156271	Amino Acid	Urea cycle; Arginine and Proline Metabolism	498	NAMED	YDGMGEXADBMOMJ-LURJTMIEBT	N[C@@H](CCCNC(N(C)C)=N)C(O)=O	102783-24-4	110375	HMDB0003334,HMDB0001539	C21189,C03626	123831,169148	Pos Early
N-acetylserine	N-acetylserine	100001851	400	37076	156298	Amino Acid	Glycine, Serine and Threonine Metabolism	11	NAMED	JJIHLJJYMXLCOY-BYPYZUCNBM	OC[C@@H](C(O)=O)NC(C)=O	97-14-3	58744	HMDB0002931		65249	Pos Early
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	1-stearoyl-2-oleoyl-GPE (18:0/18:1)	100001856	402	42448	164202	Lipid	Phosphatidylethanolamine (PE)	2426	NAMED		O=C(CCCCCCC/C=C/CCCCCCCC)O[C@@H](COP(OCCN)(O)=O)COC(CCCCCCCCCCCCCCCCC)=O			HMDB0008993		9546742	Pos Late
1-stearoyl-2-oleoyl-GPG (18:0/18:1)	1-stearoyl-2-oleoyl-GPG (18:0/18:1)	100001866	305	52623	165367	Lipid	Phosphatidylglycerol (PG)	2528	NAMED		O=P(OCC(O)CO)(O)OC[C@H](OC(CCCCCCC/C=CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O	322647-48-3		HMDB0010604		24779551	Polar
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	100001869	402	42450	164205	Lipid	Phosphatidylcholine (PC)	2334	NAMED	PSVRFUPOQYJOOZ-QNPWAGBNBV	C[N+](C)(CCOP([O-])(OC[C@@]([H])(COC(CCCCCCCCCCCCCCCCC)=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)=O)C	35418-59-8	17347139	HMDB0008048		16219824	Pos Late
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	100001870	402	42449	164197	Lipid	Phosphatidylethanolamine (PE)	2411	NAMED	HBZNVZIRJWODIB-NHCUFCNUBC	O=C(CCCCCCC/C=CC/C=CCCCCC)O[C@@H](COP(OCCN)(O)=O)COC(CCCCCCCCCCCCCCC)=O		7825697	HMDB0005322		9546747	Pos Late
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	100001872	402	52235	164206	Lipid	Phosphatidylserine (PS)	2509	NAMED		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			HMDB0012383		24779545	Pos Late
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	100001882	402	52234	164199	Lipid	Hexosylceramides (HCER)	3059	NAMED		OC1C(CO)OC(OC[C@H](NC(CCCCCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CCCCCCCCCCCCC)C(O)C1O						Pos Late
succinylcarnitine (C4-DC)	succinylcarnitine (C4-DC)	100001948	400	37058	156287	Energy	TCA Cycle	1448	NAMED		[O-]C(CC(C[N+](C)(C)C)OC(CCC(O)=O)=O)=O	256928-74-2	28639166	HMDB0061717		71464481	Pos Early
2-hydroxyglutarate	2-hydroxyglutarate	100002070	400	52294	164322	Lipid	Fatty Acid, Dicarboxylate	1664	NAMED	HWXBTNAVRSUOJR-UHFFFAOYAI	O=C(O)CCC(O)C(O)=O	40951-21-1	42	HMDB0059655	C02630	43	Pos Early
sphingomyelin (d18:1/18:1, d18:2/18:0)	sphingomyelin (d18:1/18:1, d18:2/18:0)	100002106	402	37529	164200	Lipid	Sphingomyelins	3120	NAMED	NBEADXWAAWCCDG-QDDWGVBQBP	O=C(CCCCCCC/C=CCCCCCCCC)N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H]	108392-10-5	4947837	HMDB0012101		6443882	Pos Late
palmitoyl sphingomyelin (d18:1/16:0)	palmitoyl sphingomyelin (d18:1/16:0)	100002107	402	37506	164195	Lipid	Sphingomyelins	3104	NAMED	RWKUXQNLWDTSLO-GWQJGLRPBP	CCCCCCCCCCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O	6254-89-3	8115562	HMDB0010169		9939941	Pos Late
ergothioneine	ergothioneine	100002154	400	37459	156384	Xenobiotics	Food Component/Plant	4894	NAMED	SSISHJJTAXXQAX-UHFFFAOYAO	S=C1NC(CC(C([O-])=O)[N+](C)(C)C)=CN1	58511-63-0	2297320	HMDB0003045	C05570	5351619	Pos Early
penicillin G	penicillin G	100002155	400	37468	156392	Xenobiotics	Drug - Antibiotic	5469	NAMED	JGSARLDLIJGVTE-UHFFFAOYAJ	CC1(C)C(C(O)=O)N2C(C(NC(CC3=CC=CC=C3)=O)C2=O)S1	69-57-8	2259	HMDB0015186	C05551	5904	Pos Early
fructose 1,6-diphosphate/glucose 1,6-diphosphate/myo-inositol diphosphates	Isobar: hexose diphosphates	100002180	209	46896	148134	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1230	NAMED		[H]C1(C([H])(C([H])(OC1(COP(O)(O)=O)O)COP(O)(O)=O)O)O			HMDB0001058,HMDB0003514	C01231,C00354,C05378	3934,124383956,10404962,718,4453,90658350,445557,82400	Neg
3-methylglutaconate	3-methylglutaconate	100002458	305	57747	213342	Amino Acid	Leucine, Isoleucine and Valine Metabolism	367	NAMED	WKRBKYFIJPGYQC-DUXPYHPUBK	OC(C/C(C)=C/C(O)=O)=O	5746-90-7	1267861	HMDB0000522		1551553	Polar
5-(galactosylhydroxy)-L-lysine	5-(galactosylhydroxy)-L-lysine	100002462	400	43582	208402	Amino Acid	Lysine Metabolism	120	NAMED		O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OC(CCC(N)C(O)=O)CN	32448-36-5				66995551	Pos Early
sulfate*	sulfate*	100002528	209	46960	148213	Xenobiotics	Chemical	6087	NAMED	QAOWNCQODCNURD-UHFFFAOYAC	OS(O)(=O)=O	14808-79-8	1086	HMDB01448	C00059	5152822	Neg
sedoheptulose	sedoheptulose	100002619	305	53237	179411	Carbohydrate	Pentose Metabolism	1288	NAMED	HSNZZMHEPUFJNZ-SHUUEZRQBR	OCC([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)=O	3019-74-7	4573620	HMDB0003219	C02076	5459879	Polar
S-methylcysteine	S-methylcysteine	100002749	400	39592	156595	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	457	NAMED	IDIDJDIHTAOVLG-VKHMYHEABD	OC([C@H](CSC)N)=O	1187-84-4	22826	HMDB0002108		24417,7058174,88180	Pos Early
2-oxoarginine*	2-oxoarginine*	100002784	400	55072	208196	Amino Acid	Urea cycle; Arginine and Proline Metabolism	491	NAMED	ARBHXJXXVVHMET-UHFFFAOYAC	OC(C(CCC/N=C(N)/N)=O)=O	3715-10-4	542	HMDB0004225	C03771	558	Pos Early
1-lignoceroyl-GPC (24:0)	1-lignoceroyl-GPC (24:0)	100002873	402	49617	161405	Lipid	Lysophospholipid	2650	NAMED	4000	CCCCCCCCCCCCCCCCCCCCCCCC(OC[C@H](COP([O-])(OCC[N+](C)(C)C)=O)O)=O	325171-59-3	24766539	HMDB0010405		24779481	Pos Late
1-methyl-5-imidazoleacetate	1-methyl-5-imidazoleacetate	100002910	400	62946	220814	Amino Acid	Histidine Metabolism	92	NAMED	UJCGYTCAMOHYCG-UHFFFAOYAA	O=C(O)CC1=CN=CN1C	4200-48-0	4954265	HMDB04988		6451814	Pos Early
UDP-N-acetylglucosamine/galactosamine	UDP-N-acetylglucosamine/galactosamine	100002957	209	46148	144257	Carbohydrate	Nucleotide Sugar	1392	NAMED		O[C@]1([H])[C@@](O)([H])[C@](COP(O)(OP(O)(O[C@H]2[C@H](NC(C)=O)[C@@H](O)[C@H](O)C(CO)O2)=O)=O)([H])O[C@]1(N(C=C3)C(NC3=O)=O)[H]			HMDB0000304,HMDB0000290	C00203,C00043	44576,1167	Neg
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	1-(1-enyl-palmitoyl)-GPE (P-16:0)*	100003000	402	39270	163991	Lipid	Lysoplasmalogen	2835	NAMED	QYTPGOPLNFESQC-RLHAVTDZBD	O=P(OCC[NH3+])([O-])OC[C@H](O)CO/C=C/CCCCCCCCCCCCCC		10471193	HMDB0011152			Pos Late
1-(1-enyl-stearoyl)-GPE (P-18:0)*	1-(1-enyl-stearoyl)-GPE (P-18:0)*	100003001	402	39271	180976	Lipid	Lysoplasmalogen	2839	NAMED		O=P(OCC[NH3+])([O-])OC[C@H](O)CO/C=C/CCCCCCCCCCCCCCCC			HMDB0240598			Pos Late
leucylglycine	leucylglycine	100003185	400	40045	156684	Peptide	Dipeptide	872	NAMED	LESXFEZIFXFIQR-UHFFFAOYAD	O=C(C(CC(C)C)N)NCC(O)=O	686-50-0	71402	HMDB0028929		79070	Pos Early
2-O-methylascorbic acid	2-O-methylascorbic acid	100003258	305	63990	232912	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	4353	NAMED	RMHBODZVODTFAH-UHFFFAOYAP	OC1=C(OC)C(C(C(CO)O)O1)=O	17860-87-6	90149	HMDB0240294		54726398	Polar
N6-methyllysine	N6-methyllysine	100003415	400	62860	220638	Amino Acid	Lysine Metabolism	114	NAMED	PQNASZJZHFPQLE-LURJTMIEBL	O=C([C@H](CCCCNC)N)O	1188-07-4	144469	HMDB0002038	C02728	164795	Pos Early
2'-deoxyadenosine 3'-monophosphate	2'-deoxyadenosine 3'-monophosphate	100003420	400	40663	156764	Nucleotide	Purine Metabolism, Adenine containing	4169	NAMED	UEUPTUCWIHOIMK-UHFFFAOYAM	OCC(O1)C(OP(O)(O)=O)CC1N2C3=NC=NC(N)=C3N=C2	102832-10-0	1423			167350	Pos Early
imidazole propionate	imidazole propionate	100003434	400	40730	156802	Amino Acid	Histidine Metabolism	80	NAMED	ZCKYOWGFRHAZIQ-UHFFFAOYAI	OC(CCC1=CN=CN1)=O	1074-59-5	63798	HMDB0002271		70630	Pos Early
phenylalanylglycine	phenylalanylglycine	100003588	400	41370	156809	Peptide	Dipeptide	926	NAMED	GLUBLISJVJFHQS-UHFFFAOYAD	O=C(CNC(C(CC1=CC=CC=C1)N)=O)O	721-90-4	88678	HMDB0028995		6992304	Pos Early
phenylalanylalanine	phenylalanylalanine	100003589	400	41374	156811	Peptide	Dipeptide	921	NAMED	MIDZLCFIAINOQN-WPRPVWTQBF	O=C([C@H](C)NC([C@H](CC1=CC=CC=C1)N)=O)O	3918-87-4	4589716	HMDB0028988		5488196	Pos Early
tyrosylglycine	tyrosylglycine	100003598	209	41375	143081	Peptide	Dipeptide	1016	NAMED	HPYDSVWYXXKHRD-UHFFFAOYAM	O=C(CNC(C(CC1=CC=C(C=C1)O)N)=O)O	673-05-5	227627	HMDB0029105		7021854	Neg
valylglycine	valylglycine	100003641	209	40475	143011	Peptide	Dipeptide	1034	NAMED	IOUPEELXVYPCPG-UHFFFAOYAB	O=C(C(C(C)C)N)NCC(O)=O	686-43-1	120256	HMDB0029127		136487	Neg
mannonate*	mannonate*	100003695	305	62864	220652	Xenobiotics	Food Component/Plant	4960	NAMED	RGHNJXZEOKUKBD-MBMOQRBOBN	O=C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O	642-99-9	2496757			3246006	Polar
pterin	pterin	100004216	209	43023	143975	Cofactors and Vitamins	Pterin Metabolism	4395	NAMED	HNXQXTQTPAJEJL-UHFFFAOYAD	NC(N1)=NC2=NC=CN=C2C1=O	22363-60-4	65806	HMDB0000802	C00715	135398660	Neg
sphingomyelin (d18:1/14:0, d16:1/16:0)*	sphingomyelin (d18:1/14:0, d16:1/16:0)*	100004328	402	42463	164531	Lipid	Sphingomyelins	3114	NAMED	KYICBZWZQPCUMO-PSALXKTOBW	CCCCCCCCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O		9608732	HMDB0012097		11433862	Pos Late
sphingomyelin (d18:2/16:0, d18:1/16:1)*	sphingomyelin (d18:2/16:0, d18:1/16:1)*	100004329	402	42459	161023	Lipid	Sphingomyelins	3118	NAMED		CCCCC/C=C/CCCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O			HMDB0240638,HMDB0240613			Pos Late
N-monomethylarginine	N-monomethylarginine	100004488	400	43586	157041	Amino Acid	Urea cycle; Arginine and Proline Metabolism	521	NAMED	NTNWOCRCBQPEKQ-YFKPBYRVBT	OC([C@H](CCCN([H])/C(N([H])[H])=N/C)N([H])[H])=O	53308-83-1	117259	HMDB0029416	C03884	132862	Pos Early
methionine sulfone	methionine sulfone	100004635	400	44878	157087	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	439	NAMED	UCUNFLYVYCGDHP-UHFFFAOYAG	O=S(C)(CCC(N)C(O)=O)=O	820-10-0	63154	HMDB0062174		69961	Pos Early
S-nitrosoglutathione (GSNO)	S-nitrosoglutathione (GSNO)	100004662	400	47127	157374	Amino Acid	Glutathione Metabolism	589	NAMED	HYHSBSXUHZOYLX-UHFFFAOYAZ	OC(C(N)CCC(NC(CSN=O)C(NCC(O)=O)=O)=O)=O	57564-91-7	3394	HMDB0004645		104858,7059524	Pos Early
1-(1-enyl-oleoyl)-GPE (P-18:1)*	1-(1-enyl-oleoyl)-GPE (P-18:1)*	100005372	402	44621	163990	Lipid	Lysoplasmalogen	2837	NAMED		O=P(OCC[NH3+])([O-])OC[C@H](O)CO/C=C/CCCCCC/C=C/CCCCCCCC						Pos Late
fructosyllysine	fructosyllysine	100005373	400	46227	221883	Amino Acid	Lysine Metabolism	121	NAMED	BFSYFTQDGRDJNV-QCNRFFRDBO	OC[C@@H](O)[C@@H](O)[C@H](O)C(CNCCCC[C@@H](N)C(O)=O)=O	21291-40-7	110281	HMDB0034879		9839580	Pos Early
N-acetylmethionine sulfoxide	N-acetylmethionine sulfoxide	100005463	400	45428	157095	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	441	NAMED	NPIMMZJBURSMON-UHFFFAOYAA	OC(C(CCS(C)=O)NC(C)=O)=O	108646-71-5	167798			11902949	Pos Early
N-acetyltaurine	N-acetyltaurine	100005466	209	48187	153116	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	473	NAMED	CXJAAWRLVGAKDV-UHFFFAOYAS	O=S(CCNC(C)=O)(O)=O		140553	HMDB0240253		159864	Neg
sphingomyelin (d18:1/24:1, d18:2/24:0)*	sphingomyelin (d18:1/24:1, d18:2/24:0)*	100005986	402	47153	164529	Lipid	Sphingomyelins	3130	NAMED	WKZHECFHXLTOLJ-QYKFWSDSBN	O[C@H](/C=C/CCCCCCCCCCCCC)[C@H](CO[P](OCC[N+](C)(C)C)([O-])=O)NC(CCCCCCCCCCCCC/C=CCCCCCCCC)=O	94359-13-4	24846874	HMDB0012107		44260126	Pos Late
arabonate/xylonate	arabonate/xylonate	100006115	305	48255	153226	Carbohydrate	Pentose Metabolism	1283	NAMED		OC([C@H]([C@@H]([C@@H](CO)O)O)O)=O			HMDB0000539	C00502,C05411	122045,6602431	Polar
ribulose/xylulose	ribulose/xylulose	100006122	305	54671	180863	Carbohydrate	Pentose Metabolism	1264	NAMED		OC1(CO)OCC(O)C1O			HMDB0000621,HMDB0000751,HMDB0001644,HMDB0003371		5289590,151261	Polar
4-hydroxy-nonenal-glutathione	4-hydroxy-nonenal-glutathione	100006240	209	48487	154439	Amino Acid	Glutathione Metabolism	591	NAMED		O=C([C@@](CSC1CC(OC1CCCCC)O)(NC(CC[C@](N)(C(O)=O)[H])=O)[H])NCC(O)=O	99927-70-5		HMDB0240578		92970719	Neg
sphingomyelin (d18:1/20:0, d16:1/22:0)*	sphingomyelin (d18:1/20:0, d16:1/22:0)*	100006290	402	48490	164042	Lipid	Sphingomyelins	3122	NAMED	AADLTHQNYQJHQV-SVLGDMRNBJ	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O		23113477	HMDB0012102		44260124	Pos Late
behenoyl sphingomyelin (d18:1/22:0)*	behenoyl sphingomyelin (d18:1/22:0)*	100006294	402	48492	164533	Lipid	Sphingomyelins	3107	NAMED		CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O		24846873	HMDB0012103		44260125	Pos Late
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	100006295	402	48493	164535	Lipid	Sphingomyelins	3127	NAMED	VBFKEZGCUWHGSK-ADSSWVSQBB	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCC/C=CCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O		29368329	HMDB0012104			Pos Late
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*	sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*	100006296	402	57477	211140	Lipid	Sphingomyelins	3128	NAMED		CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCC/C=C/C/C=C/CCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O			HMDB0240670,HMDB0240672,HMDB0240669			Pos Late
lignoceroyl sphingomyelin (d18:1/24:0)	lignoceroyl sphingomyelin (d18:1/24:0)	100006298	402	57330	210828	Lipid	Sphingomyelins	3109	NAMED	QEDPUVGSSDPBMD-XTAIVQBEBF	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O	60037-60-7	24846875	HMDB0011697			Pos Late
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	100006314	402	52433	164557	Lipid	Sphingomyelins	3116	NAMED	LQINJRUGTUOHGS-YPDYIYJKBT	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O	121999-58-4	28532779	HMDB0240617,HMDB0240608			Pos Late
arabitol/xylitol	arabitol/xylitol	100006430	305	48885	160479	Carbohydrate	Pentose Metabolism	1277	NAMED		OC[C@@H](C([C@H](CO)O)O)O			HMDB0001851,HMDB0000568,HMDB0002917	C00379,C00542,C01904	94154,6912	Polar
N-acetylglucosamine/N-acetylgalactosamine	N-acetylglucosamine/N-acetylgalactosamine	100006435	400	46539	166536	Carbohydrate	Aminosugar Metabolism	1434	NAMED		O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(C)=O			HMDB0000212,HMDB0000215	C01074	439174,84265	Pos Early
1,2-dilinoleoyl-GPC (18:2/18:2)	1,2-dilinoleoyl-GPC (18:2/18:2)	100008903	402	52603	165331	Lipid	Phosphatidylcholine (PC)	2360	NAMED	FVXDQWZBHIXIEJ-LNDKUQBDBA	CCCCC/C=CC/C=CCCCCCCCC(OC[C@@H](OC(CCCCCCC/C=CC/C=CCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O)=O	998-06-1	4450312	HMDB0008138		5288075	Pos Late
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	1-stearoyl-2-oleoyl-GPC (18:0/18:1)	100008904	402	52438	164562	Lipid	Phosphatidylcholine (PC)	2323	NAMED	ATHVAWFAEPLPPQ-VRDBWYNSBX	O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCCCCCC/C=CCCCCCCCC)=O	56421-10-4	24766704	HMDB0008038		24778825	Pos Late
1,2-dioleoyl-GPC (18:1/18:1)	1,2-dioleoyl-GPC (18:1/18:1)	100008905	402	52457	165141	Lipid	Phosphatidylcholine (PC)	2345	NAMED	SNKAWJBJQDLSFF-NVKMUCNABJ	O=C(CCCCCCC/C=CCCCCCCCC)OC[C@@]([H])(OC(CCCCCCC/C=CCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O	4235-95-4	8525772	HMDB0000593		10350317	Pos Late
1,2-dioleoyl-GPE (18:1/18:1)	1,2-dioleoyl-GPE (18:1/18:1)	100008906	402	52609	165341	Lipid	Phosphatidylethanolamine (PE)	2444	NAMED	MWRBNPKJOOWZPW-NYVOMTAGBY	O=C(CCCCCCC/C=CCCCCCCCC)OC[C@@]([H])(OC(CCCCCCC/C=CCCCCCCCC)=O)COP([O-])(OCC[NH3+])=O	4004-05-1	7825707	HMDB0009059		9546757	Pos Late
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	100008914	402	52462	165128	Lipid	Phosphatidylcholine (PC)	2298	NAMED	IIZPXYDJLKNOIY-JXPKJXOSBS	CCCCCCCCCCCCCCCC(OC[C@@]([H])(OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O)=O	35418-58-7	8923140	HMDB0007982	C05208	10747814	Pos Late
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	100008915	402	52610	165342	Lipid	Phosphatidylcholine (PC)	2304	NAMED	IESVDEZGAHUQJU-ZLBXKVHBBA	CCCCCCCCCCCCCCCC(OC[C@](OC(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O)([H])COP([O-])(OCC[N+](C)(C)C)=O)=O	59403-54-2	4946007	HMDB0007991		6441886	Pos Late
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	100008916	402	52611	165343	Lipid	Phosphatidylcholine (PC)	2340	NAMED		O=C(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)O[C@H](COC(CCCCCCCCCCCCCCCCC)=O)CO[P](OCC[N+](C)(C)C)([O-])=O	59403-52-0		HMDB0008057		24778876	Pos Late
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	100008919	402	52614	165346	Lipid	Plasmalogen	2810	NAMED	XVYPOHCSLJZFED-QZEVRULJBC	[H][C@@](COP([O-])(OCC[NH3+])=O)(OC(CCCCCCC/C=CCCCCCCCC)=O)CO/C=CCCCCCCCCCCCCCCCC	144371-68-6	24769260	HMDB0011375		42607457	Pos Late
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	100008920	402	52615	165347	Lipid	Sphingomyelins	3119	NAMED		O=C(N[C@@]([C@]([H])(O)/C=C/CCCCCCCCCCCCC)([H])COP([O-])(OCC[N+](C)(C)C)=O)CCCCCCCCCCCCCCCC	121999-64-2		HMDB0240620,HMDB0240609,HMDB0240622		46891763	Pos Late
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	100008921	402	52616	165348	Lipid	Phosphatidylcholine (PC)	2282	NAMED	PZNPLUBHRSSFHT-RRHRGVEJBV	O=C(CCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCCCCCCCCCCCCCCCC)=O	59403-51-9	24766643	HMDB0007970	C03889	24778686	Pos Late
1-palmitoleoylglycerol (16:1)*	1-palmitoleoylglycerol (16:1)*	100008952	209	52431	164555	Lipid	Monoacylglycerol	2853	NAMED		CCCCCC/C=C/CCCCCCCC(OCC(O)CO)=O			HMDB0011565			Neg
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	palmitoyl dihydrosphingomyelin (d18:0/16:0)*	100008954	402	52434	164558	Lipid	Dihydrosphingomyelins	3100	NAMED	QHZIGNLCLJPLCU-QPPIDDCLBH	[H][C@](NC(CCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])CCCCCCCCCCCCCCC		8115586	HMDB0010168		9939965	Pos Late
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*	sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*	100008956	402	52435	164559	Lipid	Sphingomyelins	3129	NAMED		[H][C@](NC(CCCCCCCCCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])/C=C/CCCCCCCC/C=CCCC			HMDB0240634,HMDB0011696,HMDB0240614		134757653	Pos Late
sphingomyelin (d18:2/24:1, d18:1/24:2)*	sphingomyelin (d18:2/24:1, d18:1/24:2)*	100008957	402	52437	164561	Lipid	Sphingomyelins	3131	NAMED		[H][C@](NC(CCCCCCCCCCCCC/C=CCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])/C=C/CCCCCCCC/C=CCCC			HMDB0240636,HMDB0240615		85336023	Pos Late
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	100008976	402	52446	165108	Lipid	Phosphatidylethanolamine (PE)	2430	NAMED	YDTWOEYVDRKKCR-KNERPIHHBL	O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCCCCCC/C=CC/C=CCCCCC)=O		7825699	HMDB0008994		9546749	Pos Late
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	100008977	402	52447	165110	Lipid	Phosphatidylethanolamine (PE)	2439	NAMED	ANRKEHNWXKCXDB-BHFWLYLHBY	O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O		4451158	HMDB0009003	C05210	5289133	Pos Late
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	100008980	402	52452	165115	Lipid	Phosphatidylcholine (PC)	2326	NAMED		CCCCCCCCCCCCCCCCCC(OCC(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O)=O			HMDB0008039		6441487	Pos Late
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	100008981	402	52453	165118	Lipid	Phosphatidylcholine (PC)	2349	NAMED		CCCCCCCC/C=C/CCCCCCCC(OCC(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O)=O			HMDB0008105		24778939	Pos Late
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	100008984	402	52470	165143	Lipid	Phosphatidylcholine (PC)	2280	NAMED		CCCCCCCCCCCCCCCC(OCC(OC(CCCCCCC/C=C/CCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O)=O			HMDB0007969		6443788	Pos Late
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*	1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*	100008985	402	52454	165119	Lipid	Phosphatidylcholine (PC)	2294	NAMED		CCCCCCCCCCCCCCCC(OC[C@@H](OC(CCCCCC/C=CC/C=CC/C=CCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O)=O						Pos Late
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	100008990	402	52464	165131	Lipid	Phosphatidylethanolamine (PE)	2417	NAMED	DRIVXEVMDWCWLI-CAQMIEAIBF	O=C(CCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O		7825750	HMDB0005323	C05210	9546800	Pos Late
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	100008991	402	52465	165133	Lipid	Phosphatidylethanolamine (PE)	2419	NAMED	MPWUZHVZZKSTPV-MADBQMNMBW	O=C(CCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O		7825749	HMDB0008946		9546799	Pos Late
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	100008992	402	52466	165134	Lipid	Phosphatidylethanolamine (PE)	2443	NAMED	XYYHNDVKALDFHQ-OXHZBIAZBI	O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O		7825748	HMDB0009012		9546798	Pos Late
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	100008993	402	52467	208085	Lipid	Phosphatidylinositol (PI)	2540	NAMED	KIQYUSYSJTUGFZ-GWAZTMTOBN	O=C(CCCCCCCCCCCCCCC)OC[C@@]([H])(OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)COP(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)(O)=O		24767674	HMDB0009789			Pos Late
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	100008999	402	52475	165154	Lipid	Plasmalogen	2819	NAMED	URPXXNCTXCOATD-FXMFQVEGBH	[H][C@](OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)(COP(OCCN)(O)=O)CO/C=CCCCCCCCCCCCCCCCC		7826008	HMDB0005779		9547058	Pos Late
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	100009002	402	52673	165435	Lipid	Plasmalogen	2805	NAMED	UUYSKERSKRMYME-MAIXUNBTBG	[H][C@](OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)(COP(OCCN)(O)=O)CO/C=CCCCCCCCCCCCCCC		24769238	HMDB0011352		52925126	Pos Late
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	100009005	402	52477	165158	Lipid	Plasmalogen	2801	NAMED	ZVVYJAAMWXATNY-PRWZWGSOBE	[H][C@](OC(CCCCCCC/C=CCCCCCCCC)=O)(COP(OCCN)(O)=O)CO/C=CCCCCCCCCCCCCCC		24769228	HMDB0011342		52925128	Pos Late
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	100009007	402	52478	165160	Lipid	Plasmalogen	2807	NAMED		[H][C@](OC(CCCCCCC/C=CCCCCCCCC)=O)(CO[P-](OCC[N+](C)(C)C)([O])=O)CO/C=CCCCCCCCCCCCCCC			HMDB0007996		34779384	Pos Late
sphingomyelin (d18:0/18:0, d19:0/17:0)*	sphingomyelin (d18:0/18:0, d19:0/17:0)*	100009027	402	57473	211136	Lipid	Dihydrosphingomyelins	3102	NAMED		[H][C@](NC(CCCCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])CCCCCCCCCCCCCCC		24846878	HMDB0012087		44260130	Pos Late
N-palmitoyl-sphinganine (d18:0/16:0)	N-palmitoyl-sphinganine (d18:0/16:0)	100009028	402	52604	165334	Lipid	Dihydroceramides	3010	NAMED	GCGTXOVNNFGTPQ-JHOUSYSJBP	[H][C@](NC(CCCCCCCCCCCCCCC)=O)(CO)[C@@](O)([H])CCCCCCCCCCCCCCC	5966-29-0	4446685	HMDB11760		5283572	Pos Late
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	100009030	402	53010	166340	Lipid	Lactosylceramides (LCER)	3088	NAMED		O=C(CCCCCCCCCCCCCCC)N[C@@]([C@]([H])(O)/C=C/CCCCCCCCCCCCC)([H])CO[C@H](O1)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H](O2)[C@H](O)[C@@H](O)[C@H]([C@H]2CO)O	4201-62-1		HMDB0006750		53477895	Pos Late
(3'-5')-adenylyluridine	(3'-5')-adenylyluridine	100009060	209	52740	166409	Nucleotide	Dinucleotide	4288	NAMED	RNNPIPQLZRGXIG-KPKSGTNCBC	O[C@H]([C@@H]1OP(OC[C@H]2O[C@@H](N(C=CC3=O)C(N3)=O)[C@H](O)[C@@H]2O)(O)=O)[C@@H](O[C@@H]1CO)N4C(N=CN=C5N)=C5N=C4	3051-84-1	100483			145459093	Neg
(3'-5')-adenylylcytidine	(3'-5')-adenylylcytidine	100009062	209	52753	166413	Nucleotide	Dinucleotide	4286	NAMED	NHEPQPHJXSVOGF-KPKSGTNCBO	O[C@H]([C@@H]1OP(OC[C@H]2O[C@@H](N(C=CC(N)=N3)C3=O)[C@H](O)[C@@H]2O)(O)=O)[C@@H](O[C@@H]1CO)N4C(N=CN=C5N)=C5N=C4	4833-63-0	9050769			10875494	Neg
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	100009069	402	52677	165443	Lipid	Plasmalogen	2802	NAMED		[H][C@](OC(CCCCCCC/C=CC/C=CCCCCC)=O)(COP(OCCN)(O)=O)CO/C=CCCCCCCCCCCCCCC		24769229	HMDB0011343		52925127	Pos Late
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*	1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*	100009075	402	52683	165450	Lipid	Phosphatidylcholine (PC)	2310	NAMED		O=C(CCCCCCC/C=CCCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCCCCCC/C=CC/C=CCCCCC)=O		24766675	HMDB0008006		24778768	Pos Late
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	100009078	402	52687	165457	Lipid	Phosphatidylethanolamine (PE)	2445	NAMED		O=C(CCCCCCC/C=CCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCCCCCC/C=CC/C=CCCCCC)=O		7825703	HMDB0005349		9546753	Pos Late
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	100009130	402	52697	165470	Lipid	Phosphatidylcholine (PC)	2359	NAMED		O=C(CCCCCCC/C=CCCCCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O		24766785	HMDB0008123		24778955	Pos Late
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	100009131	402	52710	165488	Lipid	Phosphatidylcholine (PC)	2366	NAMED		O=C(CCCCCCC/C=CC/C=CCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O		24766809	HMDB0008147	C05208	24778979	Pos Late
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	100009139	402	53195	166625	Lipid	Phosphatidylcholine (PC)	2267	NAMED		O=C(CCCCCCCCCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O		24766559	HMDB0007883		24778634	Pos Late
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	100009160	402	52713	165492	Lipid	Plasmalogen	2804	NAMED		[H][C@](OC(CCCCCCC/C=CCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)CO/C=CCCCCCCCCCCCCCC		24767482	HMDB0011207		52923882	Pos Late
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	100009162	402	52716	165495	Lipid	Plasmalogen	2803	NAMED		[H][C@](OC(CCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)CO/C=CCCCCCCCCCCCCCC		9322076	HMDB0011206		11146967	Pos Late
1,2-dipalmitoyl-GPE (16:0/16:0)*	1,2-dipalmitoyl-GPE (16:0/16:0)*	100009204	402	57341	210842	Lipid	Phosphatidylethanolamine (PE)	2405	NAMED		O=C(CCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCCCCCCCCCCCCCC)=O		393103	HMDB0008923		445468	Pos Late
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*	1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*	100009205	402	57388	210931	Lipid	Phosphatidylethanolamine (PE)	2408	NAMED		O=C(CCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCCCCCCCCCCCCCCCC)=O		4484107	HMDB08925		5326793	Pos Late
1,2-dilinoleoyl-GPE (18:2/18:2)*	1,2-dilinoleoyl-GPE (18:2/18:2)*	100009217	402	53174	166599	Lipid	Phosphatidylethanolamine (PE)	2453	NAMED		O=C(CCCCCCC/C=CC/C=CCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCCCCCC/C=CC/C=CCCCCC)=O		7825762	HMDB0009093		9546812	Pos Late
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*	1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*	100009219	402	55041	210837	Lipid	Phosphatidylethanolamine (PE)	2448	NAMED		O=C(CCCCCCC/C=CCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O		24768534	HMDB0009069		348281223	Pos Late
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*	1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*	100009220	402	53209	166647	Lipid	Phosphatidylethanolamine (PE)	2452	NAMED		O=C(CCCCCCC/C=CCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O		24768542	HMDB0009078		52922113	Pos Late
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*	1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*	100009222	402	53189	166619	Lipid	Phosphatidylethanolamine (PE)	2455	NAMED		O=C(CCCCCCC/C=CC/C=CCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O		24768565	HMDB0009102		348279332	Pos Late
thioproline	thioproline	100009232	400	53231	179281	Xenobiotics	Chemical	6240	NAMED	DZLNHFMRPBPULJ-VKHMYHEABX	O=C(O)[C@]1(NCSC1)[H]	34592-47-4	84120	HMDB0062164		93176	Pos Early
(S)-3-hydroxybutyrylcarnitine	(S)-3-hydroxybutyrylcarnitine	100009271	400	52984	166220	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)	1921	NAMED		CC(O)CC(OC(C[N+](C)(C)C)CC([O-])=O)=O			HMDB0013127		71464477	Pos Early
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	100009272	402	53013	166346	Lipid	Hexosylceramides (HCER)	3058	NAMED		[H][C@](O)([C@@](NC(CCCCCCCCCCCCCCC)=O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[H])/C=C/CCCCCCCCCCCCC						Pos Late
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	100009343	402	53176	166602	Lipid	Phosphatidylcholine (PC)	2361	NAMED		O=C(CCCCCCC/C=CC/C=CCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCCCCCC/C=CC/C=CC/C=CCC)=O		24766802	HMDB0008141		52922731	Pos Late
1,2-dilinolenoyl-GPC (18:3/18:3)*	1,2-dilinolenoyl-GPC (18:3/18:3)*	100009344	402	53179	166608	Lipid	Phosphatidylcholine (PC)	2371	NAMED		O=C(CCCCCCC/C=CC/C=CC/C=CCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCCCCCC/C=CC/C=CC/C=CCC)=O		24766868	HMDB08206			Pos Late
4-acetamidobenzoate	4-acetamidobenzoate	100009413	209	57585	212142	Xenobiotics	Chemical	6239	NAMED	QCXJEYYXVJIFCE-UHFFFAOYAT	CC(NC1=CC=C(C(O)=O)C=C1)=O	556-08-1	18177		D03836	6918889	Neg
1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)*	1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)*	100010839	402	54691	180906	Lipid	Lysoplasmalogen	2840	NAMED		O=P(O)(OCCN)OC[C@@](OC(CCCCCCC/C=CCCCCCCCC)=O)([H])CO/C=CCCCCCC/C=CCCCCCCCC		24769325	HMDB0011441		53480897	Pos Late
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	100010937	402	54961	208046	Lipid	Diacylglycerol	2941	NAMED		CCCCCCCC/C=C/CCCCCCCC(OCC(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)CO)=O			HMDB0007228		9543786	Pos Late
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*	stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*	100010950	402	57449	211103	Lipid	Diacylglycerol	2939	NAMED		CCCCCCCCCCCCCCCCCC(OCC(CO)OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)=O			HMDB0007170		6438587	Pos Late
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*	1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*	100010951	402	54994	208087	Lipid	Phosphatidylinositol (PI)	2562	NAMED		CCCCCCCC/C=C/CCCCCCCC(OCC(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)COP(O)(OC1C(O)C(O)C(O)C(O)C1O)=O)=O						Pos Late
N-palmitoyl-sphingadienine (d18:2/16:0)*	N-palmitoyl-sphingadienine (d18:2/16:0)*	100015609	402	57416	211068	Lipid	Ceramides	3032	NAMED		[H][C@](NC(CCCCCCCCCCCCCCC)=O)(CO)[C@@](O)([H])/C=C/CCCCCCCC/C=CCCC			HMDB0240686			Pos Late
glycerophosphoserine*	glycerophosphoserine*	100015666	400	57404	211020	Lipid	Phospholipid Metabolism	2242	NAMED	ZWZWYGMENQVNFU-AKGZTFGVBY	OC([C@@H](N)COP(OCC(CO)O)(O)=O)=O		2339060			3081457	Pos Early
ceramide (d16:1/24:1, d18:1/22:1)*	ceramide (d16:1/24:1, d18:1/22:1)*	100015727	402	57437	211091	Lipid	Ceramides	3052	NAMED		OC(/C=C/CCCCCCCCCCC)C(CO)NC(CCCCCCCCCCCCC/C=CCCCCCCCC)=O						Pos Late
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*	glycosyl ceramide (d16:1/24:1, d18:1/22:1)*	100015730	402	57457	211111	Lipid	Hexosylceramides (HCER)	3081	NAMED		OC(/C=C/CCCCCCCCCCC)C(COC1C(O)C(O)C(O)C(CO)O1)NC(CCCCCCCCCCCCC/C=CCCCCCCCC)=O						Pos Late
ceramide (d18:1/14:0, d16:1/16:0)*	ceramide (d18:1/14:0, d16:1/16:0)*	100015735	402	57432	211086	Lipid	Ceramides	3048	NAMED		OC(/C=C/CCCCCCCCCCCCC)C(CO)NC(CCCCCCCCCCCCC)=O			HMDB0240681,HMDB0011773			Pos Late
ceramide (d18:1/17:0, d17:1/18:0)*	ceramide (d18:1/17:0, d17:1/18:0)*	100015737	402	57434	211088	Lipid	Ceramides	3049	NAMED		OC(/C=C/CCCCCCCCCCCCC)C(CO)NC(CCCCCCCCCCCCCCCC)=O			HMDB0240683,HMDB0240678			Pos Late
ceramide (d18:2/24:1, d18:1/24:2)*	ceramide (d18:2/24:1, d18:1/24:2)*	100015744	402	57443	211097	Lipid	Ceramides	3053	NAMED		CCCCCCCCCCCCC/C=C/C(O)C(NC(CCC/C=C/CC/C=C/CCCCCCCCCCCCCC)=O)CO			HMDB0240679,HMDB0240680			Pos Late
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*	glycosyl ceramide (d18:2/24:1, d18:1/24:2)*	100015745	402	57453	211107	Lipid	Hexosylceramides (HCER)	3083	NAMED		OC(/C=C/CCCCCCCC/C=CCCC)C(COC1C(O)C(O)C(O)C(CO)O1)NC(CCCCCCCCCCCCC/C=CCCCCCCCC)=O						Pos Late
sphingomyelin (d18:1/19:0, d19:1/18:0)*	sphingomyelin (d18:1/19:0, d19:1/18:0)*	100015787	402	57475	211138	Lipid	Sphingomyelins	3121	NAMED		CCCCCCCCCCCCCCCCCCC(N[C@H]([C@H](O)/C=C/CCCCCCCCCCCCC)COP([O-])(OCC[N+](C)(C)C)=O)=O						Pos Late
sphingomyelin (d18:2/24:2)*	sphingomyelin (d18:2/24:2)*	100015789	402	57479	211142	Lipid	Sphingomyelins	3112	NAMED		CCC/C=C/CCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCC/C=C/C/C=C/CC)=O)COP([O-])(OCC[N+](C)(C)C)=O			HMDB0240644			Pos Late
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*	glycosyl ceramide (d18:1/20:0, d16:1/22:0)*	100015882	402	57595	212143	Lipid	Hexosylceramides (HCER)	3079	NAMED		OCC(NC(CCCCCCCCCCCCCCCCCCC)=O)C(OC1OC(CO)C(O)C(O)C1O)/C=C/CCCCCCCCCCCCC						Pos Late
N,N,N-trimethyl-5-aminovalerate	N,N,N-trimethyl-5-aminovalerate	100015962	400	57687	213101	Amino Acid	Lysine Metabolism	138	NAMED	CDLVFVFTRQPQFU-UHFFFAOYAF	C[N+](C)(C)CCCCC([O-])=O		34236878			14274897	Pos Early
(N(1) + N(8))-acetylspermidine	(N(1) + N(8))-acetylspermidine	100016038	400	57814	213597	Amino Acid	Polyamine Metabolism	550	NAMED		CC(NCCCNCCCCN)=O			HMDB0002189,HMDB0001276	C01029,C00612	496,123689	Pos Early
lyxonate	lyxonate	100019968	305	61858	218556	Carbohydrate	Pentose Metabolism	1290	NAMED		OC[C@H](O)[C@@H](O)[C@@H](O)C(O)=O			HMDB0060255			Polar
N,N,N-trimethyl-alanylproline betaine (TMAP)	N,N,N-trimethyl-alanylproline betaine (TMAP)	100020217	400	62947	220818	Amino Acid	Urea cycle; Arginine and Proline Metabolism	519	NAMED		O=C(C([N+](C)(C)C)C)N1CCCC1C([O-])=O			HMDB0240365			Pos Early
1-carboxyethylisoleucine	1-carboxyethylisoleucine	100020427	209	62558	219909	Amino Acid	Leucine, Isoleucine and Valine Metabolism	391	NAMED		O=C(O)C(C(C)CC)NC(C)C(O)=O						Neg
(3'-5')-adenylyladenosine*	(3'-5')-adenylyladenosine*	100020723	209	62396	219543	Nucleotide	Dinucleotide	4289	NAMED		O[C@@H]1[C@@H]([C@@H](CO)O[C@H]1N2C3=NC=NC(N([H])[H])=C3N=C2)OP(OC[C@H]([C@H]([C@H]4O)O)O[C@H]4N5C6=NC=NC(N([H])[H])=C6N=C5)(O)=O		85040			94231	Neg
(3'-5')-adenylylguanosine*	(3'-5')-adenylylguanosine*	100020724	209	62760	220362	Nucleotide	Dinucleotide	4287	NAMED	LWBLDUTUVIXFJE-INFSMZHSBD	O[C@@H]1[C@@H]([C@@H](CO)O[C@H]1N2C3=NC=NC(N([H])[H])=C3N=C2)OP(OC[C@H]([C@H]([C@H]4O)O)O[C@H]4N5C(N([H])C(N([H])[H])=NC6=O)=C6N=C5)(O)=O		392294			135508729	Neg
3'-dephospho-CoA-glutathione*	3'-dephospho-CoA-glutathione*	100020899	209	62807	220434	Amino Acid	Glutathione Metabolism	592	NAMED		CC(COP(O)(OP(O)(OC[C@]1([H])[C@](O)([H])[C@@H](O)[C@@](N2C=NC3=C2N=CN=C3N)([H])O1)=O)=O)(C(O)C(NCCC(NCCSSC[C@@](NC(CC[C@H](N)C(O)=O)=O)([H])C(NCC(O)=O)=O)=O)=O)C						Neg
S-(1,2-dicarboxyethyl)glutathione	S-(1,2-dicarboxyethyl)glutathione	100020967	209	63009	221130	Amino Acid	Glutathione Metabolism	590	NAMED	PWCIUOASSAHGHI-WPZUCAASBB	O=C(CC[C@@H](C(O)=O)N([H])[H])N([H])[C@H](C(N([H])CC(O)=O)=O)CSC(C(O)=O)CC(O)=O	1115-52-2	7978145			9802383	Neg
hydroxy-N6,N6,N6-trimethyllysine*	hydroxy-N6,N6,N6-trimethyllysine*	100021123	400	62959	220848	Amino Acid	Lysine Metabolism	117	NAMED		[O-]C([C@@H](N)C(O)CCC[N+](C)(C)C)=O						Pos Early
X-11615	X-11615	999911615	209	32932	219822				UNNAMED								Neg
X-11677	X-11677	999911677	400	47607	157513				UNNAMED								Pos Early
X-12015	X-12015	999912015	209	47390	148867				UNNAMED								Neg
X-12100	X-12100	999912100	400	47687	157560				UNNAMED								Pos Early
X-12127	X-12127	999912127	400	47702	157574				UNNAMED								Pos Early
X-12462	X-12462	999912462	400	46620	157261				UNNAMED								Pos Early
X-14056	X-14056	999914056	400	46632	157266				UNNAMED								Pos Early
X-15161	X-15161	999915161	400	47620	157525				UNNAMED								Pos Early
X-17010	X-17010	999917010	209	47993	150197				UNNAMED								Neg
X-18779	X-18779	999918779	209	46687	146634				UNNAMED								Neg
X-21342	X-21342	999921342	209	46387	145470				UNNAMED								Neg
X-22498	X-22498	999922498	209	47762	219959				UNNAMED								Neg
X-22771	X-22771	999922771	209	48076	150290				UNNAMED								Neg
X-22776	X-22776	999922776	209	48081	150295				UNNAMED								Neg
X-24035	X-24035	999924035	402	52064	164008				UNNAMED								Pos Late
X-24425	X-24425	999924425	400	52655	165410				UNNAMED								Pos Early
X-24465	X-24465	999924465	400	52782	165617				UNNAMED								Pos Early
X-24697	X-24697	999924697	400	53125	166512				UNNAMED								Pos Early
X-25003	X-25003	999925003	209	61525	217780				UNNAMED								Neg
X-25004	X-25004	999925004	209	61526	217781				UNNAMED								Neg
X-25024	X-25024	999925024	400	61588	217853				UNNAMED								Pos Early
X-25109	X-25109	999925109	400	61682	217977				UNNAMED								Pos Early
X-25936	X-25936	999925936	400	63840	223405				UNNAMED								Pos Early
X-25948	X-25948	999925948	400	63899	223706				UNNAMED								Pos Early