metabolite_name	1A1	1A10	1A2	1A3	1A4	1A5	1A6	1A7	1A8	1A9	1B1	1B10	1B2	1B3	1B4	1B5	1B6	1B7	1B8	1B9	1C1	1C10	1C2	1C3	1C4	1C5	1C6	1C7	1C8	1C9	2A1	2A10	2A2	2A3	2A4	2A5	2A6	2A7	2A8	2A9	2B1	2B10	2B2	2B3	2B4	2B5	2B6	2B7	2B8	2B9	2C1	2C10	2C2	2C3	2C4	2C5	2C6	2C7	2C8	2C9	3A1	3A10	3A2	3A3	3A4	3A5	3A6	3A7	3A8	3A9	3B1	3B10	3B2	3B3	3B4	3B5	3B6	3B7	3B8	3B9	3C1	3C10	3C2	3C3	3C4	3C5	3C6	3C7	3C8	3C9
(R)-3-Hydroxybutyric acid	25.81223558	27.01364299	25.45628986	26.90553933	27.11078994	26.36616584	25.8881888	26.66045547	26.89122254	26.86710083	26.73617481	26.4083322	26.65554743	26.44959162	25.4738821	27.17534411	25.61570832	27.32594099	27.58534987	27.60814866	25.57012265	26.16047851	26.62714922	25.44085156	27.04697826	25.22300062	25.64725035	26.24575927	26.60354678	26.01211999	28.72435054	28.19073151	27.35179925	28.04170393	27.8932631	28.27755573	27.786314	26.98770353	28.44551669	27.24970316	28.17676879	27.84893798	28.59851145	26.9525023	27.85276151	28.34537668	28.42420974	28.68925038	28.85265285	28.32542473	27.83784166	28.81493885	28.84682586	28.83400775	27.77007667	27.52184446	28.46649809	27.9154353	28.36382797	28.56534048	28.61932635	27.33492574	27.67761642	25.67911484	25.45750701	27.8969917	27.64473295	27.88901371	27.21639345	26.63870271	27.99680335	27.05019757	27.97368966	27.91214844	28.48158229	26.38272811	27.58784343	28.59357862	27.87177564	27.75282213	28.46768825	27.37592303	26.78680165	27.41104516	25.69562518	27.17110913	28.26389312	28.36029668	28.2243696	28.72767008
1-Methylxanthine	20.09859565	20.76204996	19.9927502	20.70252328	20.02838567	20.23191447	20.1554935	20.62939164	20.81525624	20.47115336	20.07479919	20.22396766	20.48742263	20.19371469	19.8888039	18.01929294	20.08698477	20.42054559	20.12072404	20.02935902	19.94813059	20.17508244	19.96049579	19.88289525	20.05501841	19.6946513	19.87516354	20.02745469	20.40194808	19.71727384	19.41197059	19.88018465	19.21460668	19.69616473	19.50939181	19.61036615	19.76055885	19.63417913	20.35369484	19.67183355	20.37264763	20.44871813	20.2300917	20.25060723	20.19693525	20.40442061	20.31793105	19.92445834	20.6455784	20.40253798	19.65815078	20.13922298	20.3731454	20.33237384	19.80028378	19.82959142	20.40070605	19.752252	19.83780201	20.16815532	20.08272145	19.45778803	19.94692385	19.75140482	19.58834624	19.9978344	20.23954318	19.83633896	20.48878846	19.78121271	20.82611862	20.45024784	20.51306552	20.39696793	20.57453405	20.29451418	20.51868881	21.52495868	20.52394176	20.82462794	20.67836878	20.87812877	20.37534812	19.79318614	19.71831432	20.06136839	20.67141181	20.14011064	19.90983047	19.87224492
2',4'-Dihydroxyacetophenone	19.11835228	19.98185084	18.56505337	18.83862468	19.31243472	19.62460851	18.86377463	19.42467876	19.37265454	19.9995145	18.67515538	19.6576014	19.28248569	19.00892746	18.25439908	18.00213771	18.83649451	19.23105722	19.31652958	18.96471234	18.35830014	18.8280183	19.24922676	18.28457661	18.72698924	18.4238539	18.06371698	18.26858626	18.93183039	17.83759483	18.32885034	18.80465561	17.23660008	17.47745875	17.56892053	17.64943984	18.33971968	18.38939147	19.2196938	18.68048626	19.25517585	19.86421005	19.58548397	19.12236435	18.82888723	18.39679878	19.93151221	19.00209237	19.63401823	19.30190655	17.67074992	17.38345316	19.45601155	18.89994	12	18.46577351	19.25234335	18.14992368	18.99392803	18.72763622	19.0425406	19.54595474	18.62751463	18.17935044	18.47205951	17.97046851	18.50091043	18.48653247	18.8954306	18.75218227	18.8244036	19.27553076	18.64598467	18.44744512	18.92784161	18.36191045	19.19656671	19.7625924	19.34859053	19.2100555	18.5919949	19.28058955	18.58945034	18.63833371	17.74115958	17.75077291	18.65369891	18.40585326	18.517472	18.54927622
2-DEOXY-D-GLUCOSE	16.82398874	17.58997053	17.10008305	16.46201829	16.66411119	17.37989352	16.87548961	17.20260409	17.22599347	17.1502876	17.39643389	17.42153069	17.71200771	17.27188401	17.12911838	18.24863033	17.19838584	17.66428495	17.41771811	17.85849718	17.12145289	17.40778018	17.94464496	17.20603674	17.48892731	17.27265299	17.44304964	17.323449	17.51890871	17.6415053	17.82363002	17.59735607	17.2674118	17.17313742	17.01757984	17.43438147	17.11481099	17.28970134	17.10523763	17.05623401	17.48323863	17.33585305	17.46723089	17.04457606	17.13072624	17.72884889	17.72723028	17.56885178	17.8815327	17.72474417	17.62965911	18.11645645	17.54043256	17.85911663	17.60632602	17.55712511	17.59206142	17.7822295	17.76581408	18.12561243	17.5597085	17.23362436	17.22848668	17.09253828	16.51176653	17.56811907	16.92877823	17.60818634	17.18265728	17.41675424	17.51299153	17.00580048	17.31728977	17.44573995	16.87376785	17.16971479	17.1734301	17.38928091	17.26414691	17.52362405	17.22730114	17.65178136	17.2992287	17.11418952	16.81525165	17.23766001	17.63774291	17.86319216	17.52823995	17.7495187
2-Hydroxy-3-methylbutyric acid	25.91475592	26.81937796	26.02326028	26.92802972	26.13366386	26.16865131	25.87787049	26.76194114	26.62291546	26.21977399	26.31293252	26.30960527	26.76560773	26.1565246	26.08822471	27.32229994	25.96557531	27.05380013	26.70109014	26.77470905	25.33218314	25.7874383	25.86109874	25.26909771	25.34568651	25.66050215	25.95175364	25.80399519	26.59288356	25.74558939	26.12660885	26.17506431	26.05268479	26.19673373	26.00004007	25.91421722	26.07647981	25.92142793	27.11312549	26.01397159	27.05012249	26.62554576	26.83814212	26.2573772	26.4315115	26.78827027	27.09616195	26.85595972	27.4543003	26.63499834	25.37188988	27.17404745	27.02476989	26.52334407	12	26.03102487	27.06062849	26.02165456	26.09837783	27.14029635	26.0968845	26.22280743	26.35296815	26.16561181	25.68705472	26.19841881	26.19596643	26.17101916	27.09802903	25.98341317	26.98030443	26.48319385	26.54693119	26.90973555	27.21930311	25.91739985	26.97098705	27.34786733	26.30341455	26.4396223	26.62613044	26.72026806	25.97012169	25.48697308	25.09976242	25.63124246	26.75899862	25.85661141	25.94068997	25.9254418
2-Hydroxybutyric acid	25.65383304	25.8063619	25.58944999	25.88627187	25.76651718	25.69980022	25.65852487	25.58344057	25.78436966	25.68739053	26.38157556	26.07779643	26.27850419	26.32684241	26.18344714	26.22005663	26.13543265	26.57407111	26.25436188	26.3720649	25.60749862	25.53695006	25.6001088	25.64984525	25.68529333	25.50087409	25.38218916	25.60393383	25.61234693	25.38774705	26.71835676	26.69381107	26.42826036	26.73425025	26.74189197	26.60376408	26.55183016	26.15966642	26.71642795	26.24645937	26.30941931	26.30625434	26.42883999	26.26551933	26.11261529	26.47336426	26.52378256	27.44536652	26.85315562	26.36207063	26.2843021	27.13144708	27.10783628	27.00146455	26.5586761	26.42997047	26.90155975	26.37640854	26.54524684	27.09307627	26.03202605	25.85430619	26.10052359	25.46534781	25.63240153	26.08043159	26.14065615	26.34393917	25.93721692	25.8734749	26.1131503	25.85231643	25.85934596	26.31716071	26.18396894	25.68350601	26.34742497	26.84800059	25.9347508	25.95973146	26.07636791	25.95878138	25.77481651	25.65029448	25.63742486	25.95946793	26.3948201	26.09518017	26.36463978	26.29488054
2-Ketobutyric acid	21.61501318	21.97223862	21.79991368	21.9937649	22.00204995	22.02407017	21.68644282	21.90765024	21.81427891	21.91468522	22.16213052	21.9311513	22.25516922	22.01072426	21.95467618	22.32028149	22.08859142	22.50436064	22.00547738	22.17416041	21.70241167	21.86116521	21.99735704	21.68284685	21.87881139	21.66416199	21.63332819	21.70356557	21.81378471	21.75087041	22.31154947	22.14242355	21.91755446	22.14928476	22.14323528	22.13648521	22.04704534	21.92677927	22.5893869	21.99216119	22.04950626	21.94656909	22.26304822	21.83266783	21.85985275	21.83046366	22.11136749	22.64509932	22.29056944	21.97494991	22.02215223	22.60109702	22.43441953	22.33118854	22.064164	22.07174794	22.32848264	21.90842405	22.15879996	22.25713531	21.96756305	22.07062887	21.99315193	21.74799778	21.67309283	21.85035159	21.98170707	21.91227611	22.26944247	21.73584934	21.77835832	21.8878404	21.76512146	22.08469535	21.98032344	21.7644111	22.00436244	22.81022565	21.84175974	21.85148247	21.98726401	22.17173374	21.82571764	21.77127798	21.63018757	21.77405016	22.20138436	21.91982934	21.9504686	22.01536826
2-Phosphoglyceric acid	20.27320413	21.49440993	20.35919941	22.98957051	21.56512219	21.83687941	21.65637871	22.13426979	21.60528542	21.55603542	21.03982621	20.41343063	22.18508245	21.52224927	20.77321901	20.61416243	20.72977714	22.57645701	21.91714086	22.02154392	20.85033537	20.42532541	21.59158455	20.62742801	21.10386838	20.53223082	20.11938112	20.7238158	21.32049911	20.44449779	20.52940112	21.60304821	20.244897	21.16228744	20.54315929	20.54833641	20.85694778	20.61220855	21.39567546	20.49497372	21.19681987	20.97460399	21.21059049	20.63444682	20.35060229	21.72032944	21.13097598	21.67443917	22.23514462	21.39446754	19.52938825	21.66750227	21.3358942	21.06783002	12	20.10741872	21.25560751	20.64895382	20.39617986	21.32046688	21.45592128	21.57438426	21.23169508	20.8722716	20.63466849	21.3333395	21.23250817	20.76375772	21.99622322	20.84495272	21.23422087	20.94711538	21.28165643	20.7538122	20.86233665	20.83919302	21.11210936	21.90401613	20.08480579	20.59650542	22.02443258	21.72343441	20.81379332	20.9631036	20.22702595	20.93190585	21.70291658	20.93079084	20.87574982	21.87371116
3'-AMP	17.98701093	20.0863606	17.99076072	23.50942383	19.46788946	22.64572043	21.8951877	23.42680079	22.73955742	20.96427388	18.69877216	17.29868714	23.14375563	20.80298605	18.53233821	18.76948397	18.46936024	21.96039892	19.43054711	19.23866188	19.10998317	18.28103859	22.67314601	18.79803161	19.31295786	19.98715296	18.84258408	18.02685047	19.66734233	17.93074952	17.85070649	19.23760838	18.31493279	21.03948772	17.2499975	17.85031171	19.63563665	18.84410989	19.97228631	19.15123259	19.93921879	17.11157922	17.83928636	15.29003305	16.54791627	19.7201479	17.93680254	17.49263303	18.71202146	17.24568718	17.22040003	19.23063574	19.27176464	18.49542408	12	17.48713051	19.0159972	17.82239296	18.31894531	19.15471414	18.52803959	19.29659755	17.96769514	19.85234015	18.34912948	21.27155008	18.43150028	18.99391689	22.67280244	18.55851379	17.55426142	21.75678952	21.66670988	16.85311601	17.61409198	18.8477319	15.96397829	19.98243372	16.44834887	18.17578846	18.98066703	18.8063797	20.16331968	18.92827231	18.12715854	22.00820838	18.86621518	23.27622538	18.15982023	19.40051063
3-(2-Hydroxyphenyl)propanoic acid	18.83548636	20.50926277	18.49047915	20.22048889	19.02868293	18.9019183	18.93584028	19.68836846	20.28630351	19.68332802	17.10427417	17.15406605	18.71667411	18.06684091	17.20951167	18.27989788	17.14899629	18.60561877	17.34146087	17.29303587	17.94549242	17.36780891	17.64277149	17.98333879	18.5898221	17.794933	17.89692815	17.45547322	18.7913056	17.53104407	18.18182742	18.40836641	17.93851382	17.80549543	18.26749638	18.4555185	18.4302689	18.25308125	19.18082366	17.82935537	19.16051498	18.83743131	18.33845091	18.95832659	17.80975665	19.06635645	19.36728476	19.32444194	19.58005668	18.47315638	17.65196426	18.74871371	19.47742046	18.78723263	12	18.02156578	19.24517418	18.23993163	18.04880214	19.24655694	17.91735715	18.43563364	18.53178562	18.42408772	18.25039254	17.8164009	18.21764818	18.38029565	19.55691797	17.64361985	18.35369134	17.48736215	18.09958137	19.00569085	18.20196953	17.21231113	18.65047297	19.02522035	17.5644541	17.72136625	18.30623348	19.05834208	17.76584291	17.97276818	17.70886918	17.68797075	18.90364735	17.68136582	18.15348694	17.78260985
3-Hydroxyisovaleric acid	22.41181094	22.84823676	22.10681019	22.68211001	22.88058983	22.5989036	22.48037125	22.6628234	22.63115662	22.70923403	22.34141227	22.56332791	22.51885242	22.56911344	22.28093073	22.78403201	22.13097912	23.05747288	22.66779643	22.72855695	22.0516869	22.04850018	22.66183365	22.05328243	22.3895632	22.10000795	22.29293873	22.4097145	22.59406953	22.27128106	22.46448281	22.62507872	22.16127015	22.16833485	22.16885571	22.1643409	22.42781372	22.33024906	22.734552	22.16633213	23.16357905	22.84377847	22.70802961	22.42410925	22.44878063	22.63422157	23.05379002	22.95856077	23.3851832	22.70219044	22.02029161	22.8539928	23.2665305	22.60030915	22.43217332	22.66521359	23.02735124	22.56735024	22.75952617	23.07106786	22.54391482	22.62007381	22.75276691	22.48479008	22.33423741	22.67265442	22.96021127	22.58178363	22.64087465	22.47351885	23.24739604	22.32275599	22.33307466	23.07753551	23.45777476	22.30007168	23.08617705	23.21776605	22.33094081	22.59559179	22.60640171	22.92487628	22.818913	22.06606077	21.8230629	22.42938222	22.81379694	22.65222714	22.78371606	22.67151602
3-Hydroxymethylglutaric acid	21.66930735	22.1934076	21.60668658	22.34201225	22.69305693	22.0180137	22.03779091	22.30938434	22.28574833	22.10704	21.78845599	21.64805065	22.08273558	21.22975632	20.79649962	22.11713529	21.20680944	22.25779626	22.73840764	22.62955462	20.93078326	21.18374683	21.74516632	21.06207727	21.72043685	20.58433314	21.10369104	21.43655741	21.7796347	21.10259889	22.92431335	21.98207279	21.65561774	21.81558842	22.61595208	22.48271639	22.01736099	21.22033685	22.55363714	21.45520416	22.37760507	22.58921452	22.08632917	21.80136172	21.53808222	22.62722571	22.42314451	22.81800858	23.39488851	22.56030718	21.30364406	23.43271876	23.43309497	23.13480716	12	21.31321935	22.19952318	21.72793759	21.83632249	23.09943466	21.92798163	22.0260288	21.93107644	21.14147105	20.78541984	21.20608087	22.18343291	21.5663917	22.37441058	20.89415618	22.35096952	21.6617594	21.92241672	22.08247669	21.67870114	21.12662303	22.02558011	22.6124826	21.4924416	21.73370708	22.04369635	21.88476516	21.00910298	21.43331915	20.68937537	20.90700497	22.08877352	21.65658623	21.43853439	22.71572409
3-Nitrotyrosine	17.33580508	18.21221241	17.54295073	18.62576357	18.78304618	17.91634847	17.7565381	18.40089989	17.98582865	18.08236072	16.59129646	16.69286193	17.3708941	16.29334437	16.09437928	13.56066309	15.61364594	17.76753518	17.71069978	17.47668453	16.1847369	17.46653792	18.4487078	15.77200562	18.0248774	15.97613965	17.28549874	17.53284755	18.0973847	17.29232655	17.97682604	17.84601589	16.06488615	17.6167135	16.27585127	16.65854448	17.2445951	16.34138811	18.43850038	16.3317097	16.93088538	15.86575639	17.3200057	16.46112269	16.92370985	16.86843289	16.76707907	16.96515085	17.28609873	17.17004561	16.34854852	17.60240925	18.1945086	17.63810896	14.68820644	16.93623795	17.15721122	16.87101887	17.13078719	16.92480417	18.55059556	18.64097248	18.95081652	17.85474856	16.91426148	18.11384055	18.64972204	17.34729574	18.91743974	17.90020495	17.42652237	17.02483058	16.65814707	17.27070923	17.3454755	16.74710506	17.4882681	18.22435635	16.97222819	16.35355823	17.75227886	17.83227533	17.89714426	16.90326744	16.39853065	16.46715376	18.46503561	17.85149238	17.47764662	17.61957309
3-Sulfinato-L-alaninate	17.5959316	18.1700421	17.52917125	17.86818663	17.90298714	17.60525603	18.02295225	17.90974891	17.98820628	18.03982554	16.95545055	16.60515292	16.5297931	16.56673868	16.32291081	17.22393791	16.57194691	16.5953152	16.89991447	16.41868815	17.30868885	16.83202977	17.77760689	17.56773087	17.54597842	17.03483808	16.86012688	17.40174188	17.13551172	17.16158508	17.47154523	17.50222433	17.19983781	16.96216032	17.94499483	17.28520563	17.4265948	17.20262949	17.44246519	17.65687958	16.91056689	17.33668674	16.89157096	16.86500175	16.38827394	17.01385474	17.28575383	17.06212356	17.45927501	17.14738522	17.21470257	17.63908927	17.75068399	17.87712234	17.44667405	17.36178037	17.66956936	17.26426805	17.75738268	17.90654962	17.12539786	17.01967607	17.2537784	16.13263496	17.37136336	17.29805487	17.5411511	17.30152703	17.04177594	15.70707935	16.94044301	16.9973287	16.90948158	17.0163773	17.14207339	16.95819443	16.73269814	17.18786929	17.15587685	17.56536372	17.32151569	17.21932246	16.96749014	17.4071976	17.2993612	17.27826412	17.31778921	17.40567164	17.6300021	16.34362816
4-Hydroxycinnamic acid	18.31083866	18.90311313	18.35329102	19.51575505	18.97544882	19.45367518	18.78323167	19.33728243	19.53069304	19.78650386	14.96640899	16.20906837	16.36109188	14.26670291	14.09281181	14.28346074	12	15.29551084	15.98566547	15.72849467	12	15.03075081	16.29419247	14.28261408	15.54855713	15.12040243	15.33484379	14.33037518	15.7893208	14.71986265	17.35362674	17.29879578	14.72506862	17.62541556	15.41857982	16.753537	17.01225062	15.55548037	16.54102771	15.76856396	12	12	14.1946969	12	12	12	12	15.62983228	12	13.93232254	13.89579649	12	13.5800668	13.82447742	12	12	15.59713064	12	12	13.5609351	17.44553538	18.82913168	18.04168304	18.1120333	16.50394399	17.65229565	18.17952144	17.49863146	17.35402078	17.15488979	13.94959885	12	12	12	13.45859323	12	12	13.71009772	12	12	12	13.92153771	14.09122488	12	12	13.74451021	14.32604389	14.24099901	14.38206894	15.84067498
4-Pyridoxic acid	17.67641198	NA	16.37379326	NA	NA	NA	17.97224221	NA	18.76700631	18.51057984	16.75022907	17.01793981	NA	15.7736769	16.49330576	NA	17.10866945	NA	18.23925574	NA	16.64138225	16.24473285	NA	16.78845549	18.0714	16.95516841	17.08900088	17.36557649	NA	15.42869025	NA	18.06175402	15.89127975	16.34178022	16.11711515	16.45655997	17.84855905	17.43377758	NA	15.78541325	NA	18.16454638	18.50064643	17.4602739	16.18440549	NA	NA	NA	NA	18.20327182	16.68484149	NA	NA	NA	12	16.41483541	NA	16.94954827	16.94384447	NA	NA	NA	NA	16.2067555	16.46722044	16.94714036	17.04988261	16.98949628	NA	17.47391665	NA	16.37746726	17.27572285	NA	NA	16.91889817	NA	NA	16.95972775	16.72044259	NA	NA	15.61984395	16.75398088	15.72627773	15.97068265	NA	16.87032003	17.48030246	NA
5-Hydroxy-L-tryptophan	17.69686345	18.28686187	17.83590902	18.60534217	18.89943723	18.75777362	17.42051578	18.14463382	17.3994567	18.72425143	17.71158096	17.78121492	18.82862802	18.00435267	17.51640038	13.78424234	17.24274687	18.46774795	18.6798457	18.63561152	16.74689427	17.85334887	18.78921253	16.8521177	18.20699063	17.00315055	17.43932402	17.73139662	18.40095251	17.3899091	19.04592443	18.08878242	17.20468949	17.81540988	17.0781917	17.64582365	17.6528756	17.35817269	18.4130304	17.43811301	17.77225345	17.60903588	19.05524188	17.93063114	18.03543326	17.44009243	18.25512152	17.49174351	18.19882134	18.86675937	16.69577872	17.80689413	18.21142671	17.59086478	16.6804575	18.01219366	18.30915338	17.66488343	17.76120465	17.86861771	18.68732324	18.79219453	19.23395123	17.68969732	16.58886684	18.10275394	18.12398922	17.58605097	18.61850996	17.27524359	18.16114526	18.27440702	17.87763865	18.16422211	18.26675366	17.77893707	18.51943866	18.31557457	18.07283442	18.04249201	17.82527763	18.23474362	17.67295778	17.40278257	16.71857468	17.29965577	18.51543384	18.07944881	17.83640822	18.30177094
5-L-Glutamyl-L-alanine	20.48149151	21.03059474	20.47724528	21.10869784	21.52324308	20.59956228	20.76653831	20.82728416	20.84192641	20.93090739	19.6500695	19.76405275	20.66491391	19.92451017	19.56430663	19.17876939	19.36369912	19.84681525	19.97395131	20.3713006	19.69399914	20.06931586	21.01053681	19.76222711	20.43203463	19.7251016	20.02386956	20.24142563	20.37350494	19.50907897	19.64111937	19.68355569	18.69855578	19.44721694	18.64162039	18.79675883	19.54212962	18.82794438	19.52037182	19.00800145	18.88456955	19.4852467	19.46664272	19.31150734	19.04477314	18.84196776	19.22869453	19.29003024	19.54284201	19.50105517	18.24699496	18.96744264	19.6663509	19.24077576	18.61433635	19.0731382	19.42430663	19.24801803	19.326599	18.98394925	19.45337753	20.69234211	20.64961877	20.67010469	19.85558786	19.62152395	20.6554603	19.35927087	20.70370728	19.7968996	19.08432408	19.62597042	18.27193215	19.50749428	19.07218152	18.57510929	20.1299054	19.33573476	18.61945577	18.67399965	19.23574942	19.42794719	19.87359984	18.87559554	19.12339649	18.66935655	19.96944871	19.36129673	19.06669494	19.31098437
Acetylglycine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	20.89506036	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	22.77872536	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Acrylic acid	18.62793191	19.97347421	18.69189652	19.8289034	18.75602189	18.73646335	18.98792068	19.90310771	20.07703474	19.4676354	17.480056	17.27296403	18.03062656	16.98414271	17.26123282	17.60104202	17.05217017	19.3101275	18.60183606	18.36064136	18.07154943	18.0589775	18.90439529	18.23904169	18.84474378	18.84366117	18.68412761	18.58846486	19.69336614	17.06059369	17.57354168	18.02873638	17.51912715	17.74735465	17.79426444	17.96531928	17.87922416	17.53880229	19.15485163	17.5102681	18.06028792	17.91344341	17.1487681	17.19207138	17.11085141	17.58484933	18.05964466	19.85639257	19.03596629	17.82247154	17.74634374	18.66513409	19.44635148	19.1863251	12	17.98787012	19.08053878	18.34362816	18.24050502	18.79850809	17.37720934	19.05484309	19.01378456	18.72700171	18.19697681	18.16257373	19.15046797	18.16550279	20.06198881	18.40543975	18.24886236	17.75968555	17.12661815	18.15423096	17.76743849	17.30262247	17.92677266	19.27447769	17.12788352	16.90565849	18.64415213	18.73536926	18.79138301	18.07993215	18.18791549	18.27225146	19.13221039	18.35604462	18.12506231	17.56114761
Adenosine diphosphate ribose	12	NA	NA	NA	12	NA	NA	NA	NA	NA	12	NA	NA	NA	NA	12	NA	NA	NA	NA	NA	NA	NA	12	12	NA	NA	NA	12	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	12	12	NA	12	NA	NA	NA	NA	NA	12	NA	NA	NA	NA	12	12	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	12	NA	12	NA	NA	NA	NA	NA	NA	NA	NA	12	12	NA
Allantoic acid	16.82246026	17.66881272	16.64885664	17.63103436	17.12614532	16.71687063	17.32278143	17.53603089	16.81019583	17.24794996	16.05222458	16.28922656	15.82138941	15.95909493	15.78092177	15.66562987	16.18055387	17.23181063	15.99316541	15.85723347	16.51397367	16.37131815	17.13471459	15.95009094	16.16598757	16.38730952	16.1415897	16.82850406	17.30965426	17.10844789	16.22769232	17.40872661	16.7942087	16.78589552	16.83048426	16.13203463	17.29459327	16.96478689	17.58124564	16.18495341	16.91443112	17.27833219	16.40573344	16.72483179	16.45877155	17.10671309	16.93569211	17.8590294	18.0166626	16.32231328	16.11497108	17.60743541	17.24428674	17.38905793	15.94512793	16.78394462	17.49548812	16.72686102	16.27207772	17.59247255	16.90354328	16.03036489	15.98134891	16.60830119	16.25030304	16.90846491	16.42473078	16.9564156	17.54593201	16.1102915	17.53677877	16.53361288	17.11951569	17.13552408	17.23976706	17.21086319	17.26538212	17.93763073	16.42851877	17.09110298	17.38567351	18.28860942	16.10874011	15.93438511	15.80337566	16.49474415	17.41924901	16.54052728	16.58474086	16.82350058
Allantoin	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	20.53593078	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	20.85614823	NA	20.9936838	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	21.27811478	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Aminoadipic acid	19.86507445	NA	19.62932916	19.89486882	20.18823704	NA	NA	19.89020266	19.99671449	NA	20.61845899	20.24317849	20.47591386	19.88713219	19.75566684	21.08592251	19.91212267	19.30813138	20.99600491	20.82220018	19.80964176	19.68275493	19.91553696	19.26752396	20.1871468	19.26124918	19.53474944	19.62539861	19.62366932	20.04720963	19.68731641	NA	19.61631192	19.91498615	19.86814131	19.65563073	20.47923518	19.24206735	20.27650228	19.45380816	20.13914927	19.70612921	20.06216491	19.6130826	19.68944267	20.59602399	19.99006959	19.31763273	20.0354252	19.73199306	18.87026866	20.70514426	19.7872977	19.89636687	19.45604917	19.1141463	19.18369292	19.06877319	NA	19.84765382	NA	NA	19.80266269	19.49937294	19.00474013	19.32223625	20.10481516	19.20100035	19.95207122	19.46481033	19.66584258	19.25329381	19.64518477	19.51875387	19.26347224	19.58176329	20.19576838	19.23815936	19.21534621	19.37305776	19.527288	19.68815969	19.33500755	19.48811337	19.27052817	18.76822623	19.26999484	19.20375424	19.15232848	19.88036833
Arachidic acid	19.67721348	19.61552311	19.93281695	19.66894556	20.40148371	20.32281223	19.62225149	19.54845424	19.78010548	19.86268777	19.74763564	19.68854326	19.50551405	19.76759195	19.5227957	16.09884941	19.51423151	20.32014677	20.14869938	20.26100551	19.50038056	19.96303814	20.23622431	19.44110025	19.71460943	19.70568132	19.52297704	20.09733213	19.63663756	19.47641829	20.45909199	19.92452258	19.39749668	19.86065083	19.69104104	19.78101145	19.51197181	19.47633992	20.09671918	19.49672934	19.90407623	19.56653118	19.86705029	19.83706658	19.87714996	19.83045795	19.94488977	19.88485393	20.1800779	19.78964796	19.83918408	20.05346855	19.68813834	19.63145552	12	19.91572049	20.10302858	19.74322208	19.87311579	20.04925281	20.17957383	20.47314994	19.97613169	19.71267277	19.36353632	20.01777878	20.05877426	19.74887624	20.52564876	19.98181923	19.7713733	19.94846821	19.34262392	19.98371237	19.94715222	19.91793836	19.84120728	20.46161933	19.97357993	19.72222458	19.73329312	20.19398053	19.8865628	19.6429855	19.52696517	19.47081363	20.15678349	19.96267267	19.95121854	24.2006713
Arachidonic acid	20.48343141	21.12128419	20.49508464	21.0119189	20.39344126	20.59634936	20.34468127	20.68911075	21.24377441	20.11372754	22.01214028	22.58953194	21.96241427	22.0616479	21.8239391	20.81814964	22.05540905	22.43296962	21.56173975	21.53427438	19.68336872	20.04501454	20.43145845	20.22709839	19.84221758	20.85238597	20.71976021	20.55591481	21.48372723	20.11825753	21.49000998	21.16890589	21.22044225	21.14846153	21.66614131	21.04309806	20.70549909	21.05728694	21.92991899	21.22561801	23.8011518	22.7665746	22.56799169	22.57157155	22.33610607	21.66959239	23.40438435	22.62609478	23.09378811	21.94865552	20.31908207	21.22920828	21.38572564	21.52765824	12	21.08110971	21.55978446	20.68301012	20.878687	21.18785343	21.23317216	20.57366949	20.80189817	20.64698272	20.37448394	21.38620681	20.39104989	21.1385093	22.02659841	20.48847431	23.27793834	22.39420623	23.63202993	23.69618097	23.34142775	22.17064593	23.66675668	23.17645502	22.11213832	23.70376789	21.07863377	21.07306136	20.73059027	20.60558351	20.46088317	20.63710774	22.29106613	20.9284966	21.07274972	20.46210244
Citramalic acid	22.64278669	23.07021285	22.36465007	23.25382196	23.37796152	23.07227263	22.81245026	23.17340006	23.19923725	23.12567627	22.27354493	21.85806298	22.80439999	21.7073072	21.33729319	22.26819773	21.8750755	23.35873516	23.24509176	23.17007863	22.02964496	21.94338692	22.77320854	21.80345843	22.79299786	21.71574472	22.14374676	22.30298455	22.65338272	21.13280595	22.36340504	22.30319336	21.64164486	22.08664243	22.11635745	22.22118543	22.28408771	21.86805801	22.7963909	21.95934729	22.28022691	22.35899305	22.13522972	21.69968883	21.30398039	21.94938316	22.00009235	23.58477182	23.06948632	22.3348202	21.45213313	22.77267672	23.0722535	22.58839108	12	21.89917721	22.56968273	22.04630771	22.35915919	22.80931939	22.23191256	22.86544029	22.88362186	22.27247374	21.8472432	21.93943045	22.8795323	22.22006549	23.24218993	22.03872177	22.82925655	22.16211392	22.45572918	22.82636383	22.05869847	21.68123369	22.57654293	23.61401107	21.93670047	22.06955712	22.40250767	22.60713376	22.0075129	22.08135584	21.67566969	21.76490408	22.53290472	22.10724438	22.05568144	22.87562366
Citric acid	29.03745345	29.36292516	28.96362426	29.29278781	29.51088246	29.35456861	28.90240309	29.39577821	29.27321338	29.38826237	28.67446546	28.22597229	29.13483567	28.47600833	28.06990321	27.23905772	28.1999573	29.10842603	29.14067206	29.11199574	28.34344152	28.61606384	29.43326311	28.41350514	29.02135974	28.5491789	28.73577054	28.85041082	29.22978419	28.15456257	29.27617468	28.920217	28.10839668	28.63834874	28.54168499	28.80272135	28.77935417	28.49480225	29.20924154	28.62016064	28.55154176	28.67976485	28.83981226	28.12426017	28.11706108	28.37807348	28.70245014	29.08605392	28.99850917	28.82879457	27.99551392	29.02729825	29.26284799	29.03927435	12	28.73333853	29.15101592	28.79669556	28.88944483	29.09839647	29.3371173	29.40391505	29.16375531	28.99476301	28.67572622	28.83220404	29.11077624	28.88559296	29.46529038	28.86139393	28.69542553	28.55943976	28.34566986	28.97080656	28.74593154	28.27255661	28.76260264	29.32622703	28.2935028	28.35589411	29.05656495	28.94910544	28.79684297	28.53997605	28.14762091	28.55808889	29.2868747	28.97020957	28.76022736	29.07384182
Citrulline	19.13525023	19.12148562	19.10480284	19.62340553	19.42488913	19.22869658	19.12470271	19.34339869	19.1176347	19.19057102	19.49255724	19.54796215	19.35882945	19.23471732	18.83295094	18.79137993	19.03005432	19.48171729	19.64223341	19.35141039	18.8218885	18.8014758	19.4158917	18.86803926	19.23847107	19.04157811	19.24518956	18.97889223	19.1559261	19.1313984	19.4930174	19.070137	19.39917699	19.26360906	18.93423626	19.31512012	19.04476414	19.28982022	19.18150307	18.78422396	19.67096986	19.19672683	19.50813339	19.60040217	19.3508228	19.14345936	19.33573204	19.32164423	19.138696	19.0906841	19.25736151	18.69610624	19.13309454	19.02057969	18.89080429	19.1168013	19.50794365	19.25191301	18.90957451	18.84637732	19.19857079	18.95073734	19.44928519	19.39710663	18.76106908	19.08334866	19.44934477	19.2385046	19.28099797	19.23861655	19.3246007	19.02550306	19.29286699	19.20406705	19.09360906	18.89754683	19.65087776	19.62624766	18.99472469	19.54409246	18.9770167	19.01319572	19.20063703	18.92192336	19.02137024	19.09329779	19.19506997	19.15447682	18.97238448	19.18735192
Cysteic acid	16.95241209	16.20298663	16.6621281	17.58017034	17.1240847	16.81455557	16.56087762	16.93467162	16.13323787	16.60989653	14.56905049	14.80910621	15.11194164	15.18004162	14.50807535	12.18694829	15.23481465	15.61479239	15.81382424	15.06275716	15.52348347	15.67002352	16.69015286	15.18067603	16.50681542	15.68809714	15.95197947	16.04980469	16.11197649	15.14733832	15.22864961	16.22574773	15.01515724	16.10015413	15.71810754	15.69428551	15.42338986	15.83426416	15.40145376	15.36809157	14.39266908	14.72129156	14.62432069	14.17522897	15.20468755	15.1809904	14.63403629	15.8645318	14.60136774	14.30079382	14.70358088	15.97953265	16.29900003	15.31651536	14.70615124	15.55715702	14.28459807	15.05061974	15.95209024	15.70833173	15.88809774	16.63980448	16.68659585	16.32737625	15.68417545	15.94624584	16.31808915	16.02450681	16.74305183	15.86720822	14.509556	14.04950177	15.06716615	15.18024806	14.94204579	13.81990688	15.13812412	16.06811993	14.81115074	15.30604611	15.36325143	16.19672368	16.34524713	14.7236323	14.87011286	15.80624309	15.71058029	15.94799598	15.07692061	14.62282891
Cytidine	17.56769258	18.39661615	17.26893728	18.23570589	18.26872245	18.44040145	18.19701147	18.35493388	16.30509109	18.3373343	17.65024484	17.52898497	17.52259973	18.89859871	18.81257071	17.80593699	17.8150454	18.20493884	17.2067777	17.60767132	17.5968507	17.02021156	18.45643827	16.68969476	17.12718688	18.04553472	16.76071985	18.2686772	18.44285379	16.2629178	17.45405287	17.74693168	17.83207131	17.99080555	17.97150277	16.39413477	17.88893904	17.69666535	17.54716484	16.35627531	18.9331888	18.7548927	17.5975792	19.08182002	17.06274662	18.14961937	17.24714147	18.06169157	18.45821647	18.52836432	17.04089553	17.30863553	17.13682078	17.38595151	17.43444002	16.96491871	15.93093509	17.61195369	17.14652191	17.49486925	17.96266067	16.72905922	16.91207067	16.98018134	16.74705096	17.86139526	16.72270301	16.5514331	18.29839391	15.44950599	18.72446753	16.48151677	18.55599506	16.96995901	16.97683748	18.06547432	19.3436695	16.677342	16.7017408	18.74290396	17.60456805	17.646494	16.49676249	16.3185286	16.00126403	17.57339791	18.0944123	16.71442749	17.74576417	17.53095766
D-Glucose	26.23438199	26.12482432	26.31597831	26.39583037	26.29844523	26.2240806	26.12813942	26.30232083	26.1821144	26.27724412	26.31086126	26.10124845	25.89169657	25.94992144	25.95274018	25.38912701	26.01419146	26.13969014	26.12826185	26.08679758	25.91968361	26.22562213	26.13106189	25.6760721	25.95240667	25.53341184	25.92043318	25.92961754	25.96678028	25.83357508	25.47384309	25.45715252	25.3686049	25.40744529	25.02332239	25.50231127	25.56038182	25.42401183	25.61334344	25.21161638	25.75566664	26.12177569	25.56419939	25.92563738	25.70033843	25.35861968	25.93256324	25.50280365	25.87702046	25.6207711	25.4425067	24.82632533	24.97079331	25.25267366	25.08002815	25.19188439	25.50766594	25.40066111	25.12043043	25.19618742	25.67075478	26.2695482	25.9862778	26.16391205	25.74758094	25.5867815	26.02902852	25.32843936	26.30877105	25.86671438	26.15593181	26.00937794	25.95857254	26.11363948	25.91550596	26.02889535	26.42864271	26.1212483	25.82324176	25.9889055	25.6079521	26.19803686	25.84964409	25.72783167	26.03525906	25.22063443	25.88862844	25.36895479	25.33308996	25.31566951
D-Leucic acid	23.6183473	24.59342042	23.57793436	24.52586391	23.85531819	23.893004	23.49053154	24.41717585	24.27584473	23.80708238	23.30853443	23.35546079	23.81043553	23.15894508	22.95892338	24.43879198	22.85339894	24.17365106	23.95718673	23.85802464	22.59891337	23.01908436	23.51601642	22.05018694	22.75113294	22.72433742	23.28763728	23.4225205	23.93911008	22.75336867	23.73774206	23.77326187	23.31748176	23.63845149	23.04788175	23.4640455	23.62738192	23.31727183	24.74051154	23.02675627	24.46038603	24.05578436	24.2147045	23.98174112	23.89881346	24.17620831	24.81355184	24.14211656	25.13141175	24.26700195	22.86038798	24.44850415	24.75031526	23.85286217	12	23.62635128	24.59528059	23.58623736	23.83284135	24.36043842	23.49826599	23.86621763	23.97443105	23.35710132	22.23109649	23.79199222	23.82237934	23.5827715	24.54239228	23.45418167	24.1356188	23.67238358	23.51553286	24.15805937	24.46500035	22.96846641	24.16724585	24.63699925	23.64640325	23.90876504	23.69765059	23.79676378	23.34541594	22.6688071	21.90952535	22.83598561	24.23979429	23.33192929	23.31580368	23.13374271
D-Ribose	20.47979075	20.3903814	20.60603916	20.71211962	20.49768729	20.56744088	20.40821051	20.6572058	20.5534002	20.64447321	20.47151212	20.04953883	20.20350797	20.15329488	20.26697593	19.71565926	20.26024106	20.42661386	20.34625685	20.34607718	20.26932718	20.44609321	20.46235511	19.98934088	20.22395234	19.84106405	20.11124792	20.11035283	20.26261734	20.06970231	19.74431167	19.61226199	19.73366281	19.62907319	19.21494101	19.8383677	19.79633435	19.56049552	19.91255434	19.50149901	20.05989315	20.3752268	19.80161838	20.22206316	20.01187097	19.77609613	20.18578662	19.81748444	20.21984193	19.85038907	19.76513685	19.14800341	19.42984357	19.42816347	19.27977889	19.46818588	19.8250664	19.68343501	19.42031377	19.54490679	19.91188192	20.43695142	20.20912119	20.51118139	20.02500215	19.76217002	20.28607659	19.69023749	20.56932034	20.10682265	20.37261309	20.26635592	20.26630387	20.38886197	20.26760454	20.25039037	20.66027375	20.31400301	20.1984293	20.38718841	19.84939699	20.36585091	20.130388	19.83383755	20.3308563	19.56355799	20.18374698	19.70983235	19.58686486	19.64617689
DEOXYURIDINE	21.53816228	21.94842784	21.64491158	21.67241067	21.26885835	21.67031015	21.60155647	21.81153619	21.73869522	21.70553505	22.11367716	22.12275723	22.08778298	21.97779803	21.68426911	22.18664429	21.89686738	21.76936895	22.01894858	21.99729941	21.75332929	21.81600824	21.95633601	21.44869545	21.78569112	21.45112494	22.10154791	21.79619996	21.85859308	21.92379797	21.89726264	21.36832967	21.58980382	21.50147654	21.25874961	21.51920383	21.51798974	21.26103091	21.46463312	21.11934962	22.24806958	22.08909482	22.0684662	22.0570013	22.22255422	21.6796825	22.15404054	21.93282209	21.98441429	21.87104416	21.85044602	21.76782449	21.5925817	21.92369888	21.71329809	21.52342747	21.75876161	21.47597593	21.39955527	21.60872915	21.87345003	21.76678577	21.54965461	21.85438904	21.09272214	21.38003533	21.68066331	21.31038465	21.8630266	21.7171707	22.13746009	21.96401153	22.2126215	22.18428531	22.17521922	21.67583356	22.13238284	22.16850809	22.09559775	22.12704799	21.83237018	21.82622969	21.86824391	21.6619567	21.7213336	21.29293452	21.86572619	21.49025119	21.37564946	21.40668926
DOCOSAHEXAENOIC ACID	21.7337079	22.17017768	22.03276395	21.70215101	21.84086934	22.10679246	21.59649678	21.50796433	22.19679421	21.38219431	20.50620769	20.91767755	20.69835696	20.73350911	20.3700979	19.94345962	20.09937944	21.09572248	20.54551635	20.43898559	20.62219708	21.32330962	21.29308401	20.50862524	21.04941502	20.77146055	20.87147918	20.81267901	21.95972209	20.79841929	22.51790675	22.13819492	22.04330252	21.84109775	22.36476734	21.89323227	21.62878849	22.03055365	22.59155236	22.0251377	22.41295832	21.42594821	21.24248609	21.03367824	20.91136895	20.783569	21.64782542	21.66123575	21.8369523	20.8541554	21.11224063	22.22845292	21.53392294	21.88737914	12	21.86203238	21.7434708	21.16544421	21.74489798	22.22630649	22.18683619	21.64571043	21.72715735	21.09553916	20.71201443	21.98408324	21.28547912	21.84068218	22.45144771	21.2233498	21.72706862	20.97377557	22.15152418	22.12305463	21.71247169	21.07538921	22.06795636	21.78425872	20.58608385	22.13265049	21.582842	22.11260845	21.29847432	21.19410997	21.21051737	21.20159016	22.54499885	21.44510265	21.70627099	21.46828893
Dihydroxyacetone phosphate	27.54523883	28.09151367	27.63004078	28.10280038	28.25455449	28.21335716	27.60224532	28.05131699	27.85782651	28.05394029	27.61738372	27.66366787	27.92814858	27.61168619	27.37265507	27.9171649	27.31596201	28.06858428	28.02771149	28.20048243	27.3343921	27.69695511	28.22369036	27.32373416	27.91488728	27.31048423	27.51970055	27.65586958	27.91992751	27.51071118	28.29897696	27.78113676	27.37262345	27.66472645	27.30568702	27.57573554	27.5652103	27.34894422	28.16299099	27.35390116	27.8221496	27.5819384	28.07702512	27.65420366	27.56141417	27.77159223	28.01682529	27.87328423	28.17683543	27.83240447	27.30834222	28.19144859	28.16887545	27.88110051	12	27.59319448	28.13006791	27.55384335	27.72418116	28.16786233	28.04553905	28.25801431	28.02043981	27.52368028	27.31260104	27.58711194	27.7265958	27.54552342	28.15371793	27.62802595	27.83075841	27.78753555	27.52912751	27.83619592	27.91841853	27.58292972	27.73195838	28.18830269	27.66994591	27.61492132	27.93003281	28.17345161	27.68167412	27.61722676	27.49126753	27.37187141	28.10771403	27.76051895	27.60268482	28.2465265
EPA	20.6490159	20.63874667	20.70405698	20.22871243	20.37066612	20.68173255	19.99521681	20.23416005	20.84026515	20.40050567	14.25487883	12	17.13172605	12	12	17.54162993	15.08976274	18.04489318	16.43479046	17.18879422	18.99988786	20.2808785	19.73919912	18.94145952	19.69155899	19.03042484	18.90470325	19.0386841	20.24219938	19.30081964	21.03384523	20.64601292	20.91228744	20.18705888	21.09650976	20.49411434	20.00392155	20.61106657	21.21960814	20.82269248	19.03419731	15.63816808	17.94370303	15.88555004	17.10095278	17.68856482	17.99876421	18.44375095	18.53305033	18.18276183	20.00456767	20.65297874	20.32153413	20.48614821	12	20.1637117	20.48136944	19.43497328	20.37871714	20.67344582	20.6709178	20.29962391	20.25211332	19.55089459	19.43684521	20.51964681	20.11540043	20.32499671	21.10483947	19.94063486	18.33660775	17.3161184	18.58506993	19.14538506	18.39543228	17.68604618	18.79115335	18.34065763	17.74143571	18.63884509	20.51371953	20.86878309	20.05369376	19.97951765	20.03988443	19.66388846	20.95087943	20.19713824	20.32926134	20.46209695
Erythrono-1,4-lactone	25.27691512	26.20311287	25.17770481	26.24044416	26.48913649	26.30399627	25.8967219	26.42939461	26.10060267	26.12610655	25.20910229	25.09937221	25.83577017	25.21355563	24.70051158	25.34536044	24.71747813	25.14125774	26.2344428	26.49374602	25.72211877	25.57711069	26.69192377	25.47386724	26.69340103	25.6368839	25.97385578	26.39567075	26.17266388	24.90742241	26.05857627	25.30983477	24.93402438	25.29419794	24.67737297	25.22318524	25.28058389	24.7509257	24.1526019	24.57281042	25.4136593	26.03193723	25.38142136	25.26516919	24.53454025	25.31108335	25.03553662	26.9688573	26.26499989	25.96579203	24.25588422	25.32202289	26.37058778	25.35140298	12	25.26152323	25.79912458	25.71738556	25.4988974	25.65566403	25.44998121	26.08061246	25.64997327	24.84520442	24.51701177	24.72406778	25.43479886	25.01004844	25.06433392	25.03911501	25.13940896	24.88449997	25.12185788	24.91383361	24.5179202	24.42427921	24.955891	24.8516648	24.7326494	24.78693971	24.98069744	24.67657318	25.27174612	25.0669171	24.99656796	25.23356482	25.40650944	25.30793842	25.26082136	26.14863143
Fumaric acid	21.03475447	19.90680905	21.07386992	19.65415645	20.16908778	19.96345696	19.13723399	19.63611246	18.91398358	19.61977221	18.9396574	19.07591911	19.40219953	18.99513735	18.6067016	21.14398351	18.59896764	18.91829186	19.42866801	19.95161057	18.62479546	18.88659926	19.88514821	18.57478706	19.56188364	18.46858887	18.78433501	19.05193544	19.16762273	18.76611516	21.97195948	20.17279037	20.45988271	21.05771068	20.38653549	20.63688478	20.17272094	19.79602346	20.8506341	20.19567723	20.86560142	20.52018224	20.90164657	20.16255222	19.94856427	19.96612423	20.2590342	19.74515513	20.26878855	20.7282254	19.60245954	21.40503951	21.36767869	20.50141154	12	20.60351769	20.79152649	21.18048968	20.88952188	21.6437929	20.42009553	20.83788313	20.69333434	19.86708178	19.62291792	19.59727184	20.94466551	20.14196071	21.24387607	19.62976737	20.07851194	20.87160477	20.39773808	20.50213678	19.98504045	20.25474795	20.51698112	21.34894652	19.73655553	20.30688386	20.22420251	20.2680075	20.49249221	20.10782479	20.13564542	19.50754702	20.12874861	19.82485884	19.74885506	20.69335178
GLYCERATE	22.72940801	23.39449985	22.76525665	23.55135353	23.14874918	22.80464774	22.95055972	23.28417782	23.29385118	23.09942567	22.49819927	22.31278908	22.5036854	22.46624416	22.18807868	20.29939348	22.03696975	23.23879467	23.08034603	22.96431804	22.13943394	22.49067696	22.47861349	22.05683895	22.64803396	22.07408575	22.18692729	22.63929787	22.90667411	21.99141225	21.82619186	22.80860926	21.68851851	22.26255599	22.01779746	22.05162202	22.45463528	22.4423995	23.11892524	22.37268615	21.94786243	22.75334418	21.87218084	22.17518525	22.08567101	22.435655	22.69770456	22.92374884	23.4099492	22.64440555	21.29395247	22.89430303	22.83924541	22.49027225	21.91548043	22.54047584	23.08482185	22.43196669	22.79026626	23.0853752	22.42718187	22.53459772	22.92762652	22.53002299	22.24678988	22.74602055	22.96856872	22.48130685	23.36711783	22.57709455	22.73243048	22.60982621	22.21742602	22.64004674	22.67781823	22.46416918	22.87659338	23.07302539	22.34216571	22.50066746	22.79294466	23.25103072	22.61338425	22.4670597	21.96899991	22.39895123	23.26645901	22.55518954	22.77116865	22.33804524
Galactaric acid	18.86169502	19.53057744	18.57114898	19.00772794	18.39758651	19.09799689	19.14649394	19.21209914	19.3028694	19.30437486	18.07148855	18.14033115	18.26027681	18.31315416	17.55678984	17.52435579	18.0137665	17.8110935	18.1587559	18.21777832	18.43641761	18.72151489	18.52769605	18.1475113	18.51803646	17.98207375	18.11014188	18.34459147	18.95542678	18.07579151	18.0141373	18.78405358	17.63552285	17.95850032	18.39354823	18.36585131	18.39605322	18.20613842	18.83000748	18.64733402	18.19124405	19.14759918	18.38733226	18.16811828	18.19763321	18.12637537	18.64606545	17.99011496	18.69979398	18.58872253	18.21668281	18.60077725	19.23831887	18.81674462	12	18.1896887	18.69201554	18.56397779	18.72586038	18.69723708	18.53374131	18.53855129	18.69527078	18.16594404	18.16524208	18.66170146	18.46738627	18.51493709	18.62843853	18.58710359	18.42469388	18.43423791	18.47227424	18.34632178	18.1304499	18.24232849	18.25743331	18.48613053	18.32620686	18.24535555	19.36658622	19.04152297	18.68051663	18.40090171	18.16848069	18.48048959	19.04079806	18.54851304	18.49855221	17.84157174
Galactitol	17.64164001	17.87612673	17.21887241	17.76377798	17.61850335	18.09353427	17.99748092	18.10358316	18.21942956	17.93331723	18.08960953	17.34166255	17.94542633	18.38660285	17.81512966	18.7583738	17.55694533	18.05229889	18.17767927	17.97227701	18.0090688	16.99929152	17.87136055	17.18353316	18.08281499	17.55372115	17.53623393	17.15829148	17.74039069	17.30793939	16.3027534	17.39606498	16.89668458	16.55663948	16.9787719	16.92363651	16.96122888	16.87420533	17.18271456	16.76009048	18.14363046	16.29763559	17.3933843	18.48107301	17.35997511	18.62127375	17.58400103	17.61371843	17.53672068	17.6687582	17.25691238	17.60030858	17.28326148	17.55440442	17.61689474	16.95870988	17.57485542	17.15567353	17.50562744	17.15637831	17.90719536	17.79712597	17.86883122	17.5342916	17.46310936	17.58258707	17.69465045	17.48556008	17.68239318	18.04533507	18.22319025	17.99425476	17.80054714	17.85144072	17.63023212	18.15108887	18.13947516	18.64099762	18.10168784	17.86522514	17.75199836	17.99259048	17.50906121	17.12656144	17.86882924	16.74516272	18.05526191	17.3202505	17.03137326	17.76902262
Galactonic acid	24.94973456	26.15638263	25.3462394	25.89585028	25.83070658	25.2952663	25.78255547	25.88877669	25.7636152	25.49552436	23.29248804	23.49789044	23.66458281	23.18657084	22.74212159	21.79919307	22.79939576	24.07153765	23.81115201	23.6396102	24.01778319	24.33500278	24.52224998	24.09371817	24.69054848	23.35808145	23.94824459	24.13819663	24.26595364	23.86096874	24.12115058	25.16306964	24.15675356	24.84414371	24.7068169	24.31422379	24.98172962	24.25065522	25.72667604	24.36778399	23.66048376	23.98824989	23.27501008	23.40385604	23.39401188	24.68326537	23.84303285	24.13446439	24.57736094	23.95769793	23.78903816	24.96512971	25.42931415	25.27878108	23.98737878	23.95012868	25.18684525	24.37857123	24.59075504	25.02584907	25.05829749	24.92804084	25.17011516	24.94408388	24.49104288	25.06451961	25.31679817	24.65374176	25.42592619	24.41446795	23.9329056	23.63901296	23.26941964	23.75926272	23.72441362	23.94994948	23.67166102	24.60359454	23.72927398	23.57934943	24.96326627	25.07784238	24.46115767	24.38204136	24.13472508	24.14943765	25.34072214	24.70751533	24.55629648	24.50471341
Galacturonic acid	21.76103661	22.73524447	21.98622684	22.83299747	22.86946969	22.51502832	22.30197281	22.7442051	22.37603528	22.60945866	20.43259198	20.72953974	21.32065583	20.40286816	19.76540822	19.39603362	19.88501402	21.28126702	20.96313059	21.30208316	20.84873105	21.763253	22.26762611	20.66448808	22.02210007	20.37792181	21.22770451	21.67894985	21.82575335	21.00912093	21.94055843	22.39402837	21.06005516	21.8474641	21.21324828	21.3434342	21.78280779	21.14784772	22.76822805	20.86570071	21.20686711	20.83645868	21.22153151	20.63211005	20.62547431	21.19897298	21.19640462	21.07884042	21.32886335	21.20002617	20.9193912	21.99011063	22.56569852	22.18503616	20.0151666	21.35776461	22.18425686	21.56089173	21.70632685	21.76434063	22.43872118	22.45195624	22.48438433	21.97119927	21.09620475	22.25040642	22.27407908	21.80788954	22.62422865	21.82436446	21.21163406	21.08222718	21.02899919	21.01724493	21.06857149	20.64594917	21.16753698	21.58448603	20.85906941	20.69184605	22.17816409	22.26587955	21.74085839	21.40966686	20.78784947	21.14075365	22.5309998	22.02296426	21.75163589	21.73931801
Geranyl-PP	24.75652629	24.08558511	24.7007829	24.16580975	24.17554788	24.16089638	24.65120457	24.15696737	24.20528511	24.21498738	24.71500416	24.69690907	24.30010674	24.72119653	24.58928299	24.42768177	24.65482469	24.32392144	24.33691634	24.18448812	24.52974282	24.68409293	24.13991305	24.51976977	24.27756736	24.47660234	24.60707651	24.81679501	24.22091217	24.76824198	24.145865	24.74730578	24.4685051	24.71571696	24.54548678	24.72146774	24.6738482	24.59515183	24.41406181	24.52347043	24.18845	24.57938972	24.29313819	24.74767559	24.83584793	24.26150688	24.21669214	24.1132139	24.26327493	24.46796133	24.61751376	24.41529652	24.06707537	24.26020803	12	24.85560145	24.33312805	24.71569173	24.68077586	24.25699298	24.17261673	24.21965082	24.23500464	24.72860853	24.47177009	24.72989339	24.67338413	24.70757904	24.36943241	24.80552652	24.1976689	24.60223943	24.71659426	24.13722273	24.22152812	24.76111911	24.18747078	24.35230844	24.78612831	24.75737251	24.18858839	24.45891933	24.67543044	24.72078648	24.48143152	24.55901199	24.38156341	24.61270936	24.82148284	24.26311673
Gluconolactone	18.83349517	19.00091689	18.99671164	18.79462796	18.70521219	19.11467471	18.5697431	18.77204802	18.843952	18.7830091	18.78859876	18.71704892	18.34060412	18.41029361	18.26998329	18.72603892	18.61220518	18.64403614	18.84004295	18.73658856	18.44316868	19.13477865	18.33990409	18.11383801	18.86492054	18.21982051	18.65388518	18.27029533	18.28027704	18.27431374	17.9365719	17.89030408	18.03262272	17.85832682	17.81937143	18.34066958	18.02693369	17.98622389	18.07766361	17.87277594	18.08068467	18.97283258	18.44542348	18.2284472	18.28126023	18.05733488	18.67081884	17.66460353	18.46771188	18.39389814	18.04651789	17.37545936	17.69162884	17.73513753	17.66991834	18.00211779	18.17319996	17.97164774	18.00386889	17.92951993	18.20397747	18.94597466	18.45723545	18.65191917	18.53098587	18.0689024	18.59788297	17.86661987	18.78945325	18.27963169	18.42952768	18.72232726	18.64692912	18.480371	18.60283658	18.60230321	18.86680313	18.72904905	18.41163783	18.65863546	18.0928868	18.54898896	18.36195582	18.06280046	18.30672772	17.95541747	18.38879787	17.64495503	17.89231259	17.89746023
Glucose-6-phosphate	15.11655528	16.50484274	14.73406694	17.00157502	17.20560967	17.3068498	16.57176792	16.63747129	16.90937152	16.89440037	16.21695555	16.43006697	17.35848903	16.50026178	15.95403271	16.77372076	16.1979442	17.20779886	16.70333406	17.11414599	16.28367621	16.13701567	17.35289516	14.84304694	16.61535304	14.62763084	15.83512635	14.7657192	15.10944954	15.64524646	15.9948796	14.75388594	15.80086624	14.87117646	15.2202589	15.7620025	14.36675589	15.51032183	15.99354785	14.58954817	16.45272801	16.13426085	16.41237512	16.24491863	16.07480687	15.60809732	15.90160827	15.63188765	15.22962534	15.83436197	15.02960419	15.50278435	15.11914678	16.09719242	15.17318303	15.41977544	16.10703185	15.33051401	15.68650341	16.36817605	16.51556546	16.83749859	16.62947747	16.93425498	15.95353619	16.13095745	16.51014904	15.75995562	16.63367863	15.8877904	15.58094961	15.13459584	16.28307295	15.47485199	15.41940102	15.95391543	16.43885529	15.5333863	15.80273249	16.00761846	14.75594052	15.56482225	16.29504077	15.74555585	15.74940658	15.1057546	14.61082976	16.29865848	14.62166155	16.05574167
Glyceraldehyde	28.92337364	29.40167953	29.08382664	29.24919724	29.87118699	29.65443838	28.88508786	29.33613659	29.09558326	29.66412964	27.87048137	27.61443566	28.94853112	27.93779289	27.88281318	29.35277113	27.1883848	29.21261438	29.13273677	29.32152835	28.32278211	28.87971869	29.86793052	28.4060089	29.54443612	28.74799696	29.02788154	29.06193015	29.60321702	27.84457016	28.91465092	28.50257933	27.50665588	28.03219794	27.50463862	27.84456202	28.01650618	27.7906628	28.74940504	27.8305802	27.64507403	28.06812829	28.06279717	27.89705921	27.59276451	28.51848688	28.49821266	29.15411133	28.91032844	28.64588916	27.46343357	28.94947115	28.91750839	28.4538162	28.11059179	28.54465002	28.936376	28.43579983	28.71556773	28.98008343	28.46227647	29.68024458	29.09862585	28.78144887	28.19546818	28.21654162	28.92456544	28.22167488	29.54089342	28.80875133	27.8043671	28.64966701	27.14631245	28.07741017	27.86082774	27.83672718	28.18982335	28.46465405	27.61226289	27.37361327	28.33862486	29.07040187	28.75434286	28.09322073	28.41206986	27.6851915	28.86226911	28.39175137	28.43697797	29.26130012
Glycerol 3-phosphate	20.27843188	21.43153688	20.36596635	21.43298542	20.99461611	21.15773781	20.82703979	21.3280343	21.14499549	21.57180205	20.87670063	20.70836531	21.95215495	20.56170153	20.25141899	21.42187067	20.355528	21.97332504	21.38007907	21.50494031	20.2339603	20.34055088	21.10471823	20.4788855	21.23863069	19.95214517	19.88834146	20.18900575	20.81938849	20.57734492	21.30798691	20.3833784	20.71141859	20.2619497	20.24941601	20.08030342	20.45208033	19.82474796	20.36261393	20.25587212	21.22126186	20.21668192	21.17383708	20.8641269	20.22198162	21.29305973	20.33851973	20.34983935	20.47124753	20.9633191	19.82358338	20.56252997	20.8880404	20.52926718	20.07942472	19.69594074	20.75937733	19.70676084	20.0915127	20.95580765	20.66317467	21.0754008	20.90352986	20.74390691	19.44397765	20.26245376	20.83461137	19.94791895	20.72871896	19.7410747	20.98035273	20.45620437	20.08498076	20.6249004	20.37153725	20.72912645	20.89531604	21.14181465	20.59335157	20.50198135	20.46222416	21.141841	20.24624436	19.87266652	20.25935192	19.87290301	20.52908604	20.40065003	19.77909853	21.09888458
Glycine	19.61307305	19.89089064	19.37624041	19.69204385	19.52226974	19.49490196	19.59458533	19.71820727	19.49425634	19.86619829	19.46641009	19.3560086	19.06664649	19.34459039	19.38409759	19.1969327	19.35068457	19.6882248	19.59895072	19.31978442	19.28796187	19.09105164	19.45594059	19.16979582	19.59242088	19.2305302	19.61086208	19.38000374	19.64248364	19.60525399	19.39135623	19.90704679	19.36530722	19.1609493	19.00079589	19.07260384	19.84487928	19.35016185	19.59256106	19.24147669	19.26230407	19.04448801	18.94446927	19.30834834	19.25554773	19.21622765	19.23890951	19.50599117	19.6862885	19.32344309	19.33738888	19.46797004	19.66113646	19.66531412	19.69488272	19.52073916	19.71288768	19.49038489	19.55388424	19.44004933	19.49223327	19.25419072	19.73419308	19.56169617	19.25985889	19.1718374	19.99082485	19.63602681	19.99397725	19.71708303	19.49113099	19.21726596	18.75126199	19.19932487	19.32514457	19.28818498	19.5883316	19.86783327	19.21361822	19.2625557	19.45930066	19.5178587	19.58285681	19.32940904	19.41849952	19.11297251	19.85430409	19.706617	19.29840258	19.47212274
Glycolic acid	24.02330039	24.69517189	24.11804868	24.60427541	24.38278654	24.43623777	24.37478559	24.53216993	24.47698248	24.70659224	24.57883069	24.37836167	24.75843012	24.60176172	24.21686484	22.31518357	24.16385602	25.16624447	24.38144974	24.25541893	23.95438918	24.69713715	24.55442807	23.86274328	24.19629775	23.99728287	24.30863247	24.31595621	24.57615492	23.97295043	24.31987233	24.32408301	23.76580488	24.24304131	24.12020259	24.04971081	24.16352193	23.80679739	24.74963224	24.13427888	24.22915458	24.14374831	24.4061662	24.41517865	24.17984973	24.52948596	24.4208745	24.47709554	24.48095385	23.85468056	23.86255668	24.73112747	24.93730404	24.71789696	24.12173349	24.11456447	24.81863844	24.16194069	24.43566174	24.76462937	24.73709268	24.65791448	24.87659685	24.22484311	23.98252094	24.49728527	25.10018766	24.4464893	24.85139077	24.46314429	24.94779146	24.60337427	24.49817516	24.92300615	24.8383702	24.84867728	24.82274518	25.67878526	24.64201521	24.50282173	24.68531685	24.9475088	24.61612309	24.2498575	23.99207005	24.12779915	25.04144927	24.69137198	24.45104694	24.74176311
Glyoxylic acid	19.35318978	19.20678575	19.43692944	19.05662895	18.97762083	19.13243007	19.14919745	19.05281196	19.24614373	19.11708137	19.29200842	19.19164106	19.14924738	18.99586659	18.51410133	18.70028731	19.16836975	19.28864574	19.40947808	19.38385601	18.58055301	19.22587524	19.14761284	19.04569235	19.4419362	18.52541698	19.2098561	18.82505708	18.98012423	19.15522743	19.17218347	18.98959797	18.56460482	18.74021392	18.695873	19.36859758	18.90554832	18.72263902	19.45885977	19.33897911	18.72635091	18.99214804	19.27775208	18.7697516	19.45548012	19.03693186	19.42557039	19.0998961	18.90086874	19.1286569	19.06924832	19.1667428	19.54362707	19.48496692	18.7934516	19.39295136	19.83089977	18.752145	19.59712018	19.67169482	18.94266152	19.08972703	19.51104768	19.02287184	19.03080014	18.89363492	19.44347477	19.37667733	19.12286701	19.35638856	19.08406808	19.06676637	18.91914129	19.30066718	19.35050369	18.73968215	19.00192715	19.74791483	19.43247818	18.87087875	19.0718093	18.9829177	19.59388244	19.36573399	18.96436334	18.48616	19.15135772	19.69511272	18.73688239	18.77028239
Guanidinosuccinic acid	16.52657183	NA	16.69973203	NA	16.93604938	NA	16.01320594	17.05800329	16.98117799	NA	16.30570219	16.49111312	16.95018254	16.01284939	15.16208902	12	15.16213129	NA	15.74809332	16.43557248	14.96260137	16.35035909	17.51234407	14.88647535	16.14504402	15.21917162	16.02744827	16.64115389	16.64424963	14.45800339	15.0648235	NA	13.48671119	13.83039809	12.48505343	14.53750197	12.88283333	13.528789	NA	13.44481889	16.65359899	16.52082571	16.67719519	15.80463592	16.10690777	NA	16.88496615	15.41884498	15.81132971	15.98647008	13.47402536	12	NA	14.42779211	12.10179314	13.91920132	NA	15.51557761	13.52946713	12.77955636	NA	NA	16.43030145	16.09072997	14.76807476	16.21613615	14.80931233	14.13402124	16.66483526	15.7369862	17.29844789	17.2206328	16.30825736	16.90627555	17.21066466	13.62536249	17.02111028	16.59936886	16.39809794	15.88257822	16.08890968	14.91148242	16.74759999	15.42213459	14.51364267	14.96455354	16.4059253	15.9821999	14.42835915	12
Guanine	17.70412823	17.61477004	17.4832609	17.61637687	18.10893213	17.76986366	17.64802277	17.50290402	17.6317569	17.88433786	16.91198009	17.18611802	17.44961165	17.32786933	16.76058555	17.16904464	16.88695094	17.70725622	17.43933328	17.67692897	16.64268711	17.23700859	18.02015305	16.3621944	17.70092532	16.5735537	17.1801494	17.36550507	17.14758955	16.52317224	16.94312003	16.96591187	15.82665603	16.91377318	16.36415897	16.43997554	16.91026613	16.12931525	17.15110761	16.67919486	17.42120295	17.06243438	17.31049699	17.35891125	17.31073411	17.61424804	17.16225901	17.42325815	17.67833762	17.99970141	16.71561224	16.79905104	16.91933182	16.97720279	16.9039608	17.2919903	17.04157393	17.05534599	17.43217294	17.06215486	16.92773818	17.59945945	17.58012375	16.99101773	16.83762668	17.30978691	17.44049067	16.91360529	17.55795023	16.85933677	17.03748747	16.65205423	16.65940573	16.43849962	16.92722412	16.69151309	17.50695267	17.33011992	16.60379192	17.05039804	17.18226749	17.49019218	16.43998911	16.80313006	16.65351076	16.83098679	17.34180939	17.31673327	17.15120255	17.56388065
Hydroxyphenyllactic acid	19.67414258	20.6361772	19.40041629	20.51237096	20.23575176	19.69359043	19.6184255	20.32708372	20.67602453	20.02462382	18.28272322	18.68474905	19.72271885	18.56638485	18.43003902	19.80680949	18.50180864	20.63791998	18.73643135	19.14222799	18.6773206	18.51895708	19.73055752	18.85791998	19.27250165	18.97490721	18.74067623	19.29478802	19.54097463	18.32032557	19.1172994	18.83760628	18.43735231	18.88036404	18.57372588	18.60193794	18.82631621	18.45270928	20.1056611	18.66506609	19.93218348	19.52866645	19.3880211	18.76964528	18.91849687	19.81332597	19.66701114	20.80647617	20.53840293	19.53873848	18.31839207	19.96594181	19.91798469	19.89104756	12	18.85763433	20.07253695	18.64547297	18.79113774	19.83050853	18.3965989	19.49935359	19.28499067	19.05638949	18.88545434	18.42994659	19.58263691	18.7604418	20.44214724	18.64906404	19.79005412	18.57647293	18.98138681	19.52445073	19.34955917	18.55380926	19.69618776	21.02328668	18.58851072	19.08963135	19.10637827	20.06767725	18.74746683	18.6942938	18.4554598	18.72633906	19.92102988	18.79655071	18.78506437	19.17394806
Hydroxypyruvic acid	20.3007832	22.25979498	20.56382992	21.68391437	22.37147344	22.19541231	21.30322208	21.75211477	20.76952039	21.92181089	19.8439107	19.80480969	21.0261276	20.59733118	19.85995206	22.39161019	19.47151832	20.02520463	21.73984158	22.09996463	20.5497963	21.07816596	22.1898033	20.08303225	22.06188534	19.85656582	20.16878916	21.26975192	21.11806358	19.70454062	23.23645571	22.31877227	20.80509487	21.28128698	21.26207807	21.69835717	21.14876392	20.77367287	21.28832863	21.41494854	21.40151236	21.26382136	22.40494183	21.84825128	22.10543236	21.52157732	21.62009059	21.04773434	22.34712931	22.24320392	20.77376944	22.34804367	23.7612356	22.11901186	12	20.66877637	22.28163662	21.56312236	22.29361365	22.75205636	22.70423833	22.44859741	22.06607572	20.17157372	19.43711949	21.75365706	22.02074143	21.63131729	20.26321059	20.36706289	20.82283803	20.79431621	20.33878575	20.03026519	20.78416724	20.62933205	20.21118858	20.48837611	21.42791842	21.41150646	21.4013466	20.14166017	21.13108796	20.76445413	19.53172698	20.59174409	22.12215988	22.0116226	21.9204659	22.63027635
Indoxyl sulfate	22.26634605	23.78940419	22.44807496	23.4525806	23.62687338	23.50701705	23.35649805	23.07395783	23.35160679	23.41332732	22.41845835	22.62105303	23.40427858	22.8421676	21.52713608	20.27250919	21.78836936	22.84408939	22.57246154	22.3874552	22.90094961	23.64526515	23.84307657	23.02310746	23.40857283	23.06682219	22.82147768	23.0132223	23.21725323	22.31682123	22.86610875	21.98880021	22.38685488	21.37560849	21.20604658	20.99781752	21.97171404	21.17117756	21.45784976	21.27943786	23.20320893	23.2301244	23.90927199	23.11595377	22.45423302	21.2131833	22.66467514	22.77584735	22.60748124	22.37997784	21.88020044	21.86692044	23.63358074	22.45760332	12	22.76852237	23.53034668	23.17774663	21.97279814	22.92005149	23.04099951	23.68305489	24.17386604	23.94092963	23.4702176	23.27511213	24.15928885	22.68247141	22.60221054	22.20223923	22.89736421	22.61617021	22.90220369	22.72530187	21.86040247	21.22908562	22.86503007	23.51139593	22.01997683	22.44397132	23.05577625	23.49017259	24.65350759	22.13278399	21.62635284	23.04596558	23.75339958	23.01177715	22.44351283	22.71596785
L-Alanine	22.28480885	22.45486003	21.84446748	22.06895716	22.34087369	22.17903526	22.31440125	22.30169741	22.33794455	22.56030391	21.91231001	21.9635164	22.12394377	22.05040485	21.8621622	21.95850342	21.59383025	22.16816849	22.4154554	22.28331505	22.08950932	21.78331451	22.38494563	21.64859051	22.33008326	22.01529168	22.27861904	22.34239388	22.15507731	21.65131222	20.7589225	21.75787187	20.65029897	20.89080503	20.48603156	20.92651209	21.37885311	21.30146787	21.51044148	21.11531359	21.1803836	21.8574127	21.06960628	21.59403079	21.30535735	21.43319726	21.57729593	22.27893474	22.04398097	22.08265633	21.35193684	21.34281298	21.58388973	21.64149581	21.84267039	21.55394703	21.89987465	21.74656752	21.71041507	21.51735834	20.90860234	22.10621915	21.77833315	22.08911148	21.52284202	21.07640445	22.08540098	21.39146663	22.20307418	21.88117559	21.47172048	21.53816868	20.77422334	21.480137	20.78822287	21.17814083	22.17686099	21.61817442	20.94728842	21.13929388	21.26367324	21.70229953	21.8402056	21.54267295	21.69439902	21.20625858	21.66522606	21.4985006	21.54633777	21.66487334
L-Alpha-aminobutyric acid	16.44011727	16.38762821	16.44215838	17.01140011	16.65707384	16.86358428	16.83076044	16.61658564	16.75488628	16.58604261	17.33496324	17.02827959	17.2382015	17.25857984	17.13084374	17.62023918	17.58625328	16.92721544	17.69646415	17.75115501	16.7057255	15.87312565	16.41789513	16.40133514	16.23260844	15.24896671	16.72108135	16.82246658	16.23190173	16.89125351	16.91212102	17.78465012	16.76279848	17.37937929	16.87241562	17.05457236	17.30380081	16.71272178	17.50552471	16.38494615	17.30587555	17.60497167	17.41200962	16.86431813	16.73771731	16.99145706	17.0271359	17.62539995	17.68701904	17.08466616	17.42183216	17.23487925	17.49527048	17.64382152	17.63091553	17.03483036	17.21377112	16.20032916	17.23426152	17.44604802	16.75471189	16.89246759	17.16439507	16.83552578	15.80002827	16.51074739	17.38198118	16.94696614	16.73343784	16.48892805	16.84471639	16.36449952	16.89974238	16.91309247	16.65339475	16.08781194	17.27954116	17.34477932	16.33261313	16.13303698	16.45371637	16.07431805	16.31695764	16.26191786	16.32441859	16.63599792	16.90175786	16.81418942	17.26743237	17.2594331
L-Arginine	19.04363328	20.00994647	18.96974739	19.39146269	18.85869143	18.88125766	19.36135443	19.41201402	19.41112937	18.6898807	19.13152338	19.21860226	18.49025878	18.89868709	18.91032945	18.65443205	19.38186306	19.22997102	18.33710886	17.42323122	18.63782404	18.12542466	18.77409019	18.9379341	18.36983174	19.53288059	18.96194411	19.45215727	19.6346891	18.87078762	17.81251421	18.61030543	19.10399576	17.84686038	19.30909549	18.83825631	18.74030751	19.54665241	19.37506953	19.14837246	19.73663387	19.57615435	18.49910586	19.18039483	18.59237685	19.85664883	19.8013329	19.48430701	19.78490827	18.58503439	18.9389958	18.88540379	19.43279534	19.75153997	19.48205742	19.02976425	19.76198333	19.36272763	18.61545486	18.92982591	18.530212	18.53838398	18.35766489	18.96836375	19.19578235	19.304898	18.78572474	18.96682727	20.18379165	18.58102044	19.52403709	18.4869116	18.97117559	19.27652557	19.69040258	19.14443607	20.49994999	19.43300478	18.78582629	19.02515511	19.84626023	19.9179654	18.67891611	18.95792487	18.81172932	19.11651435	20.24668914	18.16991873	19.36176056	18.8288453
L-Cystine	17.87290028	17.02771419	17.53148427	18.24141515	17.26020688	16.86655498	18.11901075	17.61251533	18.6307687	17.00575166	18.40792705	17.48968923	17.88710801	15.34252993	14.94521448	17.62553896	17.92857648	14.32326316	18.32728619	18.58200688	17.43284363	18.41856669	15.82881316	18.06982538	18.80734195	16.02089603	18.14419985	16.61805386	16.67483836	18.70604413	18.67945819	17.99232087	17.76604801	16.67611171	17.15514542	18.48431487	17.05003993	17.33328395	18.84830631	18.40740211	15.1890673	15.07847448	17.94449331	15.45073201	18.02181143	17.26268874	17.51609952	14.98950676	15.45877043	15.75927055	18.71360708	18.46384002	18.10254796	18.35084681	17.75628297	18.22979181	18.76478303	16.3518673	18.44818476	18.33071108	15.76967312	18.47939297	18.70361605	18.66296342	18.39972775	17.3992345	18.75472718	18.81902278	18.28196016	18.62116261	15.49275648	16.32663013	14.65575082	17.24842896	17.47479531	14.36037492	15.56798218	16.68995565	16.83098988	14.61761409	17.61344372	16.80518503	18.32330866	18.56618937	18.43988908	14.59625358	16.79991951	18.18400361	15.7798026	17.97681188
L-Glutamic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	19.25988331	NA	NA	NA	NA	NA	NA	NA	NA	NA	21.3917772	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	20.59369099	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	21.54350825
L-Glutamine	23.19322996	23.56961877	23.17842855	23.3139283	23.12419642	23.34381207	23.16324842	23.45789121	23.46409749	23.38680595	23.7949099	23.71053226	23.74489952	23.72163159	23.32128033	23.78875865	23.45689618	23.52194866	23.68744574	23.74050495	23.40294062	23.43923536	23.68765686	23.01952812	23.4177306	23.00506425	23.71460105	23.43039193	23.46181052	23.54682818	23.47002715	22.97020711	23.20431188	23.06197497	22.65590713	23.05385282	23.19497442	22.82562148	23.19863808	22.5512661	23.9641368	23.65761644	23.70394401	23.69011385	23.76071629	23.26626226	23.79813546	23.5361119	23.70668771	23.53302965	23.50499836	23.27850164	23.17580794	23.5540582	23.35324269	23.03310419	23.41623301	23.07097781	23.02227959	23.19067877	23.51529656	23.40316992	23.17442636	23.48259343	22.66533472	22.90100487	23.30545784	22.93000953	23.64689178	23.25841364	23.88589974	23.47209348	23.80004644	23.88362447	23.76652406	23.23828038	23.97153908	23.84882511	23.58964006	23.70427465	23.46858688	23.49260834	23.54088822	23.18321738	23.3389681	22.93231596	23.50588895	23.1006386	23.00615193	23.18105411
L-Histidine	18.61235076	19.17244292	18.85535698	18.96042376	18.94498187	19.05365233	18.7553272	19.07494288	19.0738178	18.99937445	18.72938498	18.85356618	19.05936542	19.18346168	18.99158853	18.83736317	18.82899402	19.46105822	19.08737948	18.57984014	19.09302177	18.95563474	18.91036166	18.50539399	18.84595198	18.8882532	18.6657371	18.7492258	18.92573959	19.07302278	18.96255989	18.98088088	18.52268628	18.577815	18.49837849	18.49881184	18.61494748	18.72547329	18.90352039	18.8799658	19.20700836	19.74347039	18.84043037	19.13887439	19.1372343	19.23935423	19.46165979	19.88404351	19.48533061	19.5461776	18.70531092	18.63628962	19.04524123	19.29760886	19.16717326	19.23931518	19.18532145	19.28742057	19.1236183	18.97221337	18.82707565	19.19248743	18.94546429	18.89488584	18.79722801	18.92548635	18.79420672	18.75997837	19.13553332	18.81554503	18.74767098	18.93193569	18.93424364	18.9669809	19.05431499	18.58145128	19.26810291	19.24247533	19.06359735	19.31911971	18.96854587	19.21590931	18.75334745	18.78991358	18.99183416	18.65854056	19.40786483	19.01532436	18.9873878	18.88294776
L-Leucine	25.12716925	25.27721701	24.9224218	25.07834531	25.47770034	25.38114738	25.05044537	25.06459345	25.07249901	25.42905818	24.65179581	24.97654673	25.30879576	25.23627235	24.76926512	24.93165197	24.58977948	25.33609871	25.30739928	25.37826112	24.89601203	25.44803877	25.49694067	24.9845777	25.68139414	24.85555887	25.07275331	25.30576341	25.04469594	25.38024094	26.08237826	26.1545788	25.63455052	25.95662546	25.52273656	25.51268923	25.71719685	25.75177858	25.96827155	25.66091109	25.52482946	25.80325582	25.86504877	25.64215043	25.58682467	25.69202501	25.87847868	25.90475322	25.93005701	26.10736875	25.44256327	25.88636315	26.08379483	26.08553632	25.71439384	26.1367191	26.11891162	25.78252767	26.1716041	26.0232987	25.48098244	25.649839	25.79300739	24.88510025	24.76600604	25.69941571	25.54375532	25.87744741	25.25415828	25.38359527	25.10985281	25.04760805	25.00197988	25.12750777	25.19040344	24.8274089	25.25398306	25.07801314	25.1063329	25.21685581	25.40993199	25.53617926	25.4364823	25.08134592	24.89874059	25.22511136	25.59843149	25.73865667	25.90005677	25.95348948
L-Lysine	19.72463219	20.39810969	19.91320489	20.01312942	19.75613736	20.06258903	20.21591701	20.0507031	19.96524467	19.78293744	20.02949484	19.89432311	19.71939091	20.11166215	20.18581308	19.80493797	20.17645791	20.14595717	20.05756956	19.73320901	19.67908928	19.45396536	19.86808355	19.47421541	19.59594684	19.97896483	19.67059823	19.8809638	20.04861309	19.54409152	19.44350145	20.24874918	20.06394684	20.08292524	19.9920282	19.90245903	20.08293174	20.43295026	20.29905189	20.09179095	20.43557209	20.35190638	19.48161407	20.1756397	19.49509477	20.51202524	20.30317705	20.299792	20.54648991	20.05568773	19.63185635	19.57234553	19.9684651	20.14472218	20.48902927	19.94136136	20.4462096	20.13355789	19.8862515	19.76034677	19.51454973	19.55487442	19.61472647	19.83246368	19.71594649	20.00560742	19.97630181	19.64879741	20.41079978	19.39456252	20.17634407	18.71355643	19.86767013	19.7847794	19.96350185	19.80009494	21.04190558	20.20863624	19.54402947	19.83460414	20.36911339	20.51843801	19.29131897	19.61033427	19.36132016	19.803339	20.64540073	19.19531828	20.34594864	19.70639789
L-Malic acid	26.80917806	28.048104	26.73303074	28.06834843	27.09589452	26.86176647	27.11518339	27.9814348	28.12941399	27.50335798	25.36849754	24.74706315	25.92526358	24.64362723	24.47725677	25.29449301	24.69955975	27.37916059	26.56896725	26.33814347	25.94758415	25.55287181	27.02127145	26.11612865	26.99065937	26.56446015	26.82538711	26.79307548	27.85295605	23.96870651	25.13178272	25.97832249	24.97395236	25.4915708	25.36961545	25.85234396	25.77001304	25.36938368	27.10222179	25.58820165	25.98348006	25.73773618	24.56322141	24.48441347	24.17281401	25.42549471	25.89814817	27.8808083	27.0523226	25.72813019	25.31940986	27.00549109	27.54508514	27.1400234	12	25.73347549	27.30549277	26.30457929	26.37685191	26.8827908	25.43131638	27.06774076	27.11843546	26.8423491	26.3371546	25.94629833	27.08799302	26.16556704	28.25216141	26.54066289	25.99736187	25.37640536	24.3328405	26.1863121	25.52937467	24.23551191	26.02185311	27.33264208	24.76857446	24.43306224	26.54231977	26.80492537	26.80965696	25.9364425	25.84790963	25.98821131	27.17108836	26.23158141	25.94862211	25.09487777
L-Methionine	22.06778441	22.03284565	21.86383275	22.12826672	22.47013516	22.30853388	21.89166988	22.07082259	22.10363246	22.44017571	21.32427794	21.71460157	22.02994281	21.89634081	21.25887984	21.74278238	21.31086001	22.1430635	22.00566686	22.07158331	21.2546567	21.7253778	22.4358817	21.19608278	22.08398712	21.53874061	21.72791505	21.90650026	21.83856534	21.14613467	21.55453733	21.6795077	20.8399168	21.37481291	20.67648107	20.90679951	21.3667991	21.09041695	21.66602891	21.09422769	21.83008236	21.72293164	21.95764303	21.70921016	21.61246505	21.7349718	21.72943124	21.90329494	22.23647133	22.53614439	21.06891896	21.16946677	21.4288221	21.64953512	21.31911213	21.6242292	21.71193232	21.5638568	22.01324105	21.42644661	21.50601418	21.98559807	21.98572774	21.4378374	21.2567326	21.60982655	21.94810055	21.36117101	21.93957895	21.43577808	21.55681521	21.30884908	21.06758207	21.37167124	21.32838115	21.27152672	22.01064454	21.54087664	21.24924499	21.41510719	21.671263	21.77863233	21.62431445	21.27621232	21.13250302	21.18295152	21.7695222	21.69746861	21.55501279	21.80956836
L-Phenylalanine	22.82679789	23.01575923	22.73144386	22.79612568	22.81828141	22.94850225	22.75310094	22.88918281	22.90884657	22.97877233	22.35273665	22.5321829	22.89063306	22.74248214	22.38907001	24.23354347	22.41714442	23.88460737	22.6289195	22.80859846	22.44163764	22.65272716	22.99521396	22.59063719	22.98289011	22.61639	22.63799513	22.84264997	23.18380997	22.75286234	23.28849846	23.43724575	23.05718446	23.08772455	22.89683053	22.92539136	23.03624724	22.91451388	23.97110032	22.98375376	23.38545418	23.47249613	23.21235819	23.01384997	22.81889	23.25016293	23.33667653	23.62841317	23.39112976	23.41816595	22.49946576	22.95877262	23.06069131	23.75637603	23.05806788	23.1662834	23.41151487	23.01469393	23.22663004	23.21106691	23.27195836	23.068581	23.23082906	22.72771681	22.63703077	22.92279162	23.03344989	23.05229424	23.80687712	23.14568016	23.12910564	22.70053454	22.93308801	23.33186466	23.17434529	22.52351805	23.15722557	23.74668899	22.55318151	22.75547034	23.34252274	23.87747484	22.91478575	22.78783213	22.55730149	22.70565464	23.22850944	22.9383846	23.0637104	22.89416543
L-Proline	20.77707217	20.99012708	20.50807281	20.90789334	20.88347411	20.63113142	20.84104178	20.8883515	20.96350476	20.8177561	20.55671326	20.54712529	21.03712094	20.75239422	20.51419815	21.06711066	20.44170247	21.16526371	20.76354226	20.75003673	20.59581655	20.4471815	20.86794079	20.33611942	20.69412373	20.54062719	20.81585037	20.6830084	20.68005116	20.63242738	19.8107141	20.54859805	19.93138497	19.97515954	19.89348994	19.93648482	20.43841116	20.16442316	20.55572504	20.08547716	20.31529221	20.57410519	20.47039127	20.36650965	20.40146353	20.66515166	20.39915012	21.15433666	20.96661995	20.91791825	20.33035384	20.29031702	20.54092983	20.68009635	20.6643226	20.47017477	20.73951724	20.52968183	20.38696773	20.38697286	20.1385118	20.63785289	20.78000413	20.86240647	20.47336922	20.34335219	20.70102794	20.46299582	20.88254202	20.4106347	20.45822448	20.23679815	20.07144059	20.46732805	20.19711318	19.87245123	20.78269983	21.02014355	20.14017619	20.28464325	20.58773163	20.46243699	20.53694805	20.34361827	20.33109886	20.26699437	20.66220233	20.31337922	20.47781051	20.49864387
L-Serine	20.56464075	20.69609785	20.32157184	20.71968931	20.37446192	20.43477786	20.4845037	20.70164246	20.63325612	20.69136016	20.9272395	20.8552449	20.71752697	21.2072664	20.72477373	20.29649995	20.74492261	21.23361075	21.30028273	20.88029574	20.16608644	20.14248977	20.47892647	20.10193417	20.34541296	20.1088996	20.53376947	20.56429267	20.57094581	20.06302652	19.55445021	20.47173288	19.80694731	19.95244044	19.38906555	19.89296529	20.19337661	19.99203875	20.27121466	19.67387288	20.7008011	20.63592709	20.50002381	20.73432758	20.48692289	20.23732829	20.55116622	20.89642517	20.94855554	20.88670205	19.9492916	19.95057147	19.83062584	20.15833248	20.40107156	20.15102939	20.52223705	20.23809258	20.09929708	19.98573938	19.97678409	20.32188668	20.51928483	20.64697876	20.05270253	19.92771983	20.55618104	20.15809667	20.84367037	20.26592575	20.98196648	20.20825699	20.38560137	20.83969291	20.30691709	20.24252476	21.44492628	20.99786618	20.05887019	20.52494613	19.99452893	20.32440857	20.31181621	19.99254778	20.16636815	20.00717735	20.60699781	20.01635349	20.16515036	20.10985313
L-Threonine	21.12776767	21.16379584	20.96099036	21.4286169	21.24995266	21.04526023	21.08552692	21.21205014	21.19985503	21.21447284	21.73800699	21.40251183	21.30004123	21.56162742	21.3129933	20.55700167	21.06095892	21.39944574	21.43575355	21.32018699	20.74244647	20.60436048	21.14764172	20.5412466	20.95676103	20.72009852	20.99587573	20.86224943	20.90746687	21.0209196	20.50104459	21.14862817	20.58440551	20.74620625	20.3032572	20.60526372	20.95383943	20.54089626	20.87878736	20.3982334	21.17734532	21.08373706	20.93829252	20.89507266	20.87325607	20.71234784	20.89547368	21.07258324	21.53477034	21.33474943	20.5896572	20.71350116	20.48954421	20.91972761	20.8696153	20.78747776	21.11790938	20.54936213	20.6772978	20.70495763	20.53288725	20.85915598	21.19662839	21.05293366	20.49287711	20.68821274	21.17636477	20.64465683	21.2487279	20.72503002	21.24386692	20.11888833	20.61787534	21.16700201	20.62289011	20.25482492	21.95972183	21.04371604	20.445945	20.94376606	20.69208942	20.89068426	20.82204046	20.34206151	20.51549966	20.38529263	21.0831295	20.58740522	20.76398064	20.82485893
L-Tryptophan	22.2428037	23.82896904	22.16035725	23.79845558	23.47833378	23.4819211	21.57791512	23.59735243	23.07993183	23.40252744	21.98797028	22.26504655	23.43052401	22.18224051	21.78233069	23.53728631	21.60765755	23.7152822	23.38356706	23.35559266	20.94906411	22.47718314	23.45412305	21.04344438	22.84136346	21.23889843	21.75664661	22.09411813	23.7053798	21.53585545	23.50456674	22.47352901	21.15349575	22.12362619	20.82219513	21.93758368	21.72011397	21.43163328	23.28208109	21.52182266	23.34644231	21.93878695	23.60567698	22.35265773	22.38425216	23.11421876	23.68352121	23.11942878	23.19428495	23.45368196	21.12893154	22.39316248	23.60894116	23.0807907	20.86200059	22.03017795	23.43018058	21.94850546	22.27037932	23.09153627	23.42762091	23.59591214	23.72281701	22.03944388	20.91990906	23.00589469	22.46538356	22.11090588	23.77979899	21.96906193	23.76362766	22.88192248	22.07724097	23.75224271	23.85648452	21.76883379	23.95875164	23.3300693	22.19991957	22.49375591	23.34486842	23.55815582	22.25766766	21.5058313	20.9858283	21.46851305	23.56218698	22.72698727	22.05412799	22.83284319
L-Tyrosine	23.25322671	23.3724744	23.03977769	23.42037597	23.75843012	23.4213206	22.97512236	23.17068962	23.37821282	23.52611664	22.37327088	23.21412298	23.40448843	22.99558577	22.60207799	22.88156173	22.665839	24.16275272	23.38749609	23.47021996	22.45594987	23.33475052	23.74832728	22.57268785	23.50188249	22.74893713	22.89565885	23.30528637	23.2572087	22.46202504	23.14698982	23.33039734	22.45029744	22.92220255	22.35489784	22.33188584	22.63425304	22.4673747	23.19106931	22.69188502	23.39467464	23.19954789	23.68201868	23.24192338	23.35302793	23.35852149	23.28275814	23.93164314	23.79795356	24.16024429	22.22800087	23.01848801	23.08244421	23.02993844	22.71037986	23.21494486	23.45422536	22.97720383	23.32055447	23.09733985	22.80924343	23.2476077	23.65892142	22.95799401	22.38285078	22.91714186	23.71593854	22.90272941	23.47449456	22.91065215	23.37624319	23.0342272	22.99374685	23.27845286	23.40494586	22.90460054	23.51170042	24.10249461	22.98941919	23.17145552	22.99357048	23.4055435	23.33665733	22.65060883	22.49451187	22.65319704	23.35744999	23.51370073	23.03519159	23.49295239
L-Valine	23.01882687	23.26511939	23.00863566	23.34913609	23.62574953	23.42646837	23.12521023	23.22336674	23.1663588	23.51538957	22.90771881	22.93780456	23.37816875	23.11511908	22.58850969	23.21360324	22.43509146	23.27898464	23.34016523	23.3496712	22.94800579	23.30923333	23.57775761	22.88827401	23.62349071	22.72022181	23.07619892	23.02328245	22.90154088	23.70360084	24.108326	24.14022613	23.70466609	23.97334002	23.51462389	23.76778085	23.82510834	23.71862077	24.09705977	23.56569538	23.30381321	23.43810806	23.71478392	23.4037692	23.3952109	23.69550581	23.51955263	23.60048679	23.82200291	23.90904551	23.57116784	24.16254315	23.97942598	24.01760719	23.5020893	24.03279354	24.0354403	23.60393202	24.04957173	24.13041754	23.40592673	23.5711308	23.88890514	23.03063077	22.76542623	23.7269083	23.46392643	23.81591016	23.2963826	23.28475507	23.11073117	22.71435747	22.90909323	23.39224837	23.1134678	22.57095947	23.24206095	22.99304272	22.91973507	23.08235097	23.33510081	23.48413439	23.44339167	23.21452531	22.72973358	22.9371439	23.48354162	23.61260611	23.72636671	23.85412695
Lactate	28.92337364	29.40167953	29.08382664	29.24919724	29.87118699	29.65443838	28.88508786	29.33613659	29.09558326	29.66412964	27.87048137	27.61443566	28.94853112	27.93779289	27.88281318	29.35277113	27.1883848	29.21261438	29.13273677	29.32152835	28.32278211	28.87971869	29.86793052	28.4060089	29.54443612	28.74799696	29.02788154	29.06193015	29.60321702	27.84457016	28.91465092	28.50257933	27.50665588	28.03219794	27.50463862	27.84456202	28.01650618	27.7906628	28.74940504	27.8305802	27.64507403	28.06812829	28.06279717	27.89705921	27.59276451	28.51848688	28.49821266	29.15411133	28.91032844	28.64588916	27.46343357	28.94947115	28.91750839	28.4538162	28.11059179	28.54465002	28.936376	28.43579983	28.71556773	28.98008343	28.46227647	29.68024458	29.09862585	28.78144887	28.19546818	28.21654162	28.92456544	28.22167488	29.54089342	28.80875133	27.8043671	28.64966701	27.14631245	28.07741017	27.86082774	27.83672718	28.18982335	28.46465405	27.61226289	27.37361327	28.33862486	29.07040187	28.75434286	28.09322073	28.41206986	27.6851915	28.86226911	28.39175137	28.43697797	29.26130012
Leucyl-Alanine	14.03324503	15.91269083	14.75113079	14.96755161	15.11699225	15.03100871	15.18863397	15.08665069	14.53848652	14.85329651	14.87019773	14.48460068	15.05991955	15.23813836	15.07437604	13.94430573	14.65600231	16.90313815	14.99903855	14.87208838	14.62186989	14.48743686	15.47170448	13.88746746	14.27327599	15.20203442	14.82298105	15.1731786	15.86005345	14.22701317	14.80935914	15.51508801	15.16541078	15.0668304	14.67399836	13.34535963	15.54375343	15.32335869	15.1410146	14.43265263	16.52356758	15.4748364	14.83418709	15.85689916	14.48114706	16.37070257	15.74963592	17.40829177	15.91774274	15.28663461	13.59078405	15.11771237	15.10332255	14.80629315	15.46019127	14.30241176	15.5368838	15.26918605	14.63131529	15.06028874	15.20643775	14.87678661	14.68997399	14.85184386	14.89521877	15.11120239	14.86698079	14.20222309	15.76699226	14.00381932	15.83309276	14.40372123	15.11836749	15.05361306	15.25855856	15.20987811	16.58501387	16.5317127	14.55474376	14.80330145	16.01943208	15.70523023	14.45693978	14.36253956	14.25657454	15.07425582	16.18007411	14.11015527	15.66784472	14.00397574
METHYL ACETOACETATE	25.31236616	25.49931198	25.06565986	25.35888899	25.70735523	25.25179285	25.2381544	25.31298222	25.30908383	25.44320979	24.8049928	24.612948	25.28460033	24.69926754	24.59240594	25.11600122	24.56144027	25.00994665	25.33621547	25.35894129	24.62932938	24.8078473	25.12222451	24.55805759	25.27552664	24.44892402	24.81646115	24.7717386	24.73427558	24.72239095	25.81142722	25.47912636	25.10067469	25.18175524	25.20247062	25.2932916	25.25222148	25.11170449	25.56060432	25.27374083	25.14892974	25.10678991	25.29678139	25.04133914	24.81113084	24.67537347	24.86340336	25.68058412	25.25542397	25.1424368	24.6748932	25.30651247	25.3466191	25.17771059	12	25.33175767	25.45318057	25.30023007	25.43736336	25.57308165	24.95283108	25.29513707	25.57583927	24.95050606	24.83696848	24.87490558	25.1686432	24.99822517	25.2424166	24.89764903	24.84590615	24.59961109	25.09711123	25.13591544	24.97951634	24.48695786	24.68925368	25.73791294	24.537928	24.75268934	24.78020243	24.92852163	24.69003731	24.8589159	24.49029564	24.58319125	25.01075636	24.96887479	25.12540417	25.15708953
Malonic acid	20.97338417	17.47906121	20.81415528	18.58403797	14.5343581	15.78504212	21.83404923	19.78122282	21.66827182	19.97371094	21.20675147	20.59183858	19.78312214	21.08080793	20.62330919	22.32563087	20.33241058	21.92936317	19.67080394	15.73432583	21.43514997	20.65490399	14.45011831	20.9664823	21.11273745	20.84058125	21.32013299	21.798204	21.13117323	20.99596438	14.52348957	22.37238194	22.19328922	21.80111903	22.1382368	22.54284685	22.38898859	21.92058438	23.27244882	22.26383926	22.07445297	22.33852735	20.76752578	21.91369339	21.94854003	22.14869566	21.6645763	21.67295519	22.74354394	22.2147082	22.040833	22.64924335	17.82149403	22.85184233	12	21.63441536	21.20819282	22.43322159	22.20924437	16.02218018	20.44336056	15.45765304	21.22674232	21.14829146	20.56370682	21.83371201	21.390241	22.23579177	22.27100715	21.11768891	21.34725897	20.84136884	21.64656673	21.0336112	21.24260427	21.00125372	20.87903079	22.7450361	21.53110097	21.94147134	21.8992507	22.06731093	20.72048361	21.84920721	21.24592359	21.4688752	22.55361289	21.65171491	21.98575544	19.22195006
Mandelic acid	17.21611838	18.30232041	17.13327252	17.96673822	17.20923634	17.3187276	16.29621958	17.99115505	17.66578751	17.12036651	16.81418707	17.69137517	17.99926072	17.61742565	16.80003854	18.02475822	17.15163968	17.84336444	17.23970093	17.51164457	16.68480543	17.42285255	17.04375825	16.63872104	16.96213392	16.5754992	16.86920175	16.5169036	17.50339061	16.33161732	17.08350221	15.95451547	16.12647494	16.54884166	15.96642589	16.27337802	16.78143746	16.41231916	17.29307377	15.81050025	18.15343916	17.84428252	18.44863257	17.80986673	17.58022325	17.35400921	18.46297187	17.57060018	18.23083125	17.83973135	16.41277178	17.04143708	17.92485572	17.56571386	12	16.16750283	18.52948715	16.69575621	17.18757106	17.49967402	16.96472045	17.05867089	16.78463884	16.27871998	16.3381666	15.20049875	16.76604033	17.32049924	18.15663569	16.65326615	18.17708903	17.3975177	17.89869465	18.17532188	18.19412019	16.90374829	18.39392969	17.75672153	17.79568507	17.51321977	17.78577761	17.62126928	17.39176186	16.82977228	16.19337631	16.6632659	17.38439446	16.9797206	17.01374981	16.75805696
Mesoxalic acid	20.23803833	20.98218798	20.28415819	21.09337194	21.39769526	21.06715548	20.19112083	20.89699798	20.52355131	20.94534533	20.07697409	20.11766133	20.81085401	20.29124392	20.04329084	23.00959304	19.75300328	21.03489281	20.92220337	21.20202276	19.85428183	20.53129519	21.10509357	19.87926212	20.75997481	19.95691104	20.13343904	20.29114666	20.68962641	20.06836024	21.26480151	20.33640699	19.87800815	20.11452761	19.69260784	20.19116165	20.02593775	19.86488513	21.07069405	19.89340338	20.47077404	20.16465517	20.79830775	20.10394887	20.32503378	20.50478808	20.71493899	20.59715053	21.02672014	20.59376507	19.44694155	20.94997281	20.70996399	20.68407773	12	20.2347597	21.05552986	20.17685657	20.36416739	21.05611905	21.10756558	21.3473809	20.7531289	20.11404635	19.98620063	20.30653944	20.19955958	20.15556391	21.35562908	20.31854102	20.55679603	20.50722168	20.02587238	20.5299333	20.60166346	20.39752384	20.52255483	20.96456764	20.23397054	20.11438162	20.76832609	21.12466453	20.48527692	20.11694023	19.57740151	19.76745152	21.13400275	20.59942834	20.23670372	21.56298569
Methyl beta-D-glucopyranoside	18.69323564	19.46738875	19.12971678	18.82612871	19.6676375	19.31378095	19.17835043	19.57724153	19.26266537	19.44464489	14.27843698	13.78704875	13.69714288	13.51548991	13.56550248	13.92077235	14.77708301	13.2901031	13.77258954	13.62791288	18.84741822	18.96055376	19.48023391	18.81524539	19.45747319	18.68463991	18.88704877	18.82139087	18.8279624	19.39299537	19.71716819	19.57994738	18.93500845	19.40350255	19.30566448	19.03914714	19.74169575	19.23465096	19.87757434	18.95345218	13.42903442	13.97818928	13.50980991	13.81217104	15.45241608	12.98168686	14.47387578	13.68399209	13.54632399	13.56587269	19.2667661	19.63969763	19.69224482	19.7839617	19.12363377	19.30010842	19.52531517	19.04201333	19.20479768	20.16415258	19.64417888	19.3258024	19.57001317	18.75616048	18.48427652	19.34781085	19.37568233	19.55876857	19.25766249	19.25265172	12.63721135	13.94361433	14.17591147	13.54546415	13.56644117	13.09719869	13.63011056	13.44014567	13.3070853	13.91047228	19.74176034	19.59867682	19.10536857	19.16512843	18.63371088	19.08971571	19.61411097	19.3529637	19.1729858	20.28525178
Methylsuccinic acid	21.17983576	22.46704291	21.35501457	22.22293416	22.79958548	22.6097312	22.21998826	22.4581674	22.4391075	22.44925937	21.20148667	21.08607271	21.89608115	21.41719465	20.84928263	22.29934764	20.67436826	22.35855624	21.77676443	22.28017536	21.43255273	21.67970473	22.47943232	21.41094802	22.10566254	21.43740324	21.49849073	21.85036608	21.7695445	21.10098581	22.16108651	21.31833924	21.12112322	21.49589698	21.19820536	21.24704191	21.77672408	20.82014117	21.47460893	20.5126832	21.01617714	21.58782054	21.10399048	21.21198585	20.33978328	21.32844717	21.11174444	21.88036002	21.87749506	21.57616969	20.14085192	21.77106656	21.48024821	21.11789369	12	21.04059341	21.20320236	21.13938944	21.07811611	21.35764502	21.34424619	22.10235765	21.82606381	20.91774401	20.60097819	20.71659038	21.40516731	20.94588128	21.77586634	20.86334163	21.00592517	20.77768885	20.72690528	20.81724162	20.19384897	20.69623065	21.02040268	21.65882774	20.6577586	20.68093753	21.12715618	21.62279596	21.02115875	20.93013842	20.72895878	21.02169556	21.1838242	21.09114076	21.13407468	22.49497018
N(6)-Methyllysine	20.25248354	20.54384097	20.07295918	20.81370869	20.73917254	20.84781924	20.05491726	20.58197781	20.44236887	20.80412088	20.2248618	20.37510003	20.54140046	20.66775118	20.1938001	18.31589072	19.93354299	20.69080378	20.69161361	20.66914502	20.20545605	20.35764382	20.84176444	20.12022601	20.46401283	19.89702107	20.31970754	20.18117713	20.43085742	20.26040159	20.61764312	20.17295437	19.97489759	20.04545956	20.08280021	20.22232264	20.4397827	20.15202731	20.47657614	19.91198941	20.24106479	20.61967405	20.69909085	20.46182476	20.4019059	20.55873354	20.59137899	20.42241643	20.51665237	20.72870775	19.69140414	20.50085707	20.5097802	20.53811372	12	20.21601237	20.81119044	20.03178549	20.38893789	20.54521632	20.62233484	20.84356332	20.47873605	20.24628017	20.20851658	20.28235362	20.47430145	20.15771021	20.52188973	20.16008684	20.52996367	20.42802491	20.27607612	20.55184682	20.48580045	20.37189852	19.99294292	20.55624093	20.34328346	20.14815644	20.71583634	20.62814202	20.28901937	20.25541619	20.17386421	19.74655809	20.61551829	20.27246192	20.32006783	20.50813291
N-Acetyl-L-alanine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	20.63865465	20.47659505	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	20.72537988	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	21.23248373	NA	20.73874964	NA	NA	NA	NA	NA	21.31989479	NA	NA	NA	NA	20.53562649	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	20.78642319	NA	NA	NA	NA	NA	NA	NA	20.28611128	20.69033555	NA	NA	NA	NA
N-Acetyl-L-aspartic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	12	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N-Acetylasparagine	18.58386816	19.70774364	18.47875938	19.98918762	19.22451372	18.61180864	19.04514423	19.06786694	19.20895187	19.19617421	18.13246098	17.66347037	18.61712529	17.86001318	17.43715632	17.94530389	17.47389696	19.44428179	18.455557	17.83909179	18.21986939	18.58652017	18.23617554	18.09355683	18.7153307	17.8377334	18.09436494	17.77570542	18.63622732	18.54120831	17.94989322	18.54336512	17.85885208	18.13452017	17.9885929	17.86368522	18.67957814	18.34747742	19.73733349	18.30842167	17.94317969	18.06064828	17.51144672	18.00028856	17.5693827	18.49528609	17.61295126	18.8394811	18.83317221	17.83353397	17.68927192	NA	18.72000706	18.89240051	17.74514815	18.06971379	19.26297584	18.53948105	18.32533442	19.10835902	17.69215712	18.31995472	18.58412195	18.39325519	18.23068235	18.13947579	19.11163796	18.22549504	19.59982569	18.11359577	18.28847635	17.6948739	17.99803832	17.97292064	18.22672013	17.90710127	17.92481622	20.13486434	18.17655424	18.18773732	18.35430535	19.45991572	17.89030844	18.35442091	17.79315001	17.98057621	19.05993473	18.19391813	18.08911746	18.29598762
N-Acetylglutamine	21.30984005	21.90722122	21.32049497	22.00185192	21.74875639	21.2042968	22.05092358	21.95906264	21.74614801	21.52650915	19.81307335	19.60523127	19.6870325	19.45808828	19.31501146	20.20007423	19.14382241	19.73421841	19.98362975	19.82396572	21.0018253	21.06298701	21.12260701	21.01125609	21.24504097	20.65200728	20.80805595	21.04089519	21.03693371	20.59761523	20.41074583	21.051776	20.73716646	21.05145292	20.72681394	20.39278173	21.14302519	20.82532771	21.17602199	20.5396118	19.81152806	20.29937182	19.78886089	19.5668094	19.22892582	20.29985082	19.98853622	20.31777749	20.21621906	19.98023478	20.45179782	21.01535175	21.40807106	21.15436417	20.52507712	20.18463128	21.0041601	20.77335737	20.49940202	21.1620924	20.22590803	21.20835345	20.87373998	21.39337265	20.93913448	20.70269521	21.16331815	20.77915776	21.40150038	20.98691808	19.71086065	19.88146698	19.57124991	19.65074007	19.58709317	19.45044961	19.83264697	19.80421878	19.3004404	19.6411862	21.04477964	20.52564841	20.99570954	20.64169491	20.84457542	20.46307243	21.00234789	20.81563669	20.36423714	20.25502064
N-Acetylleucine	22.28746623	22.64489223	22.0878079	22.86995722	23.01020487	22.42205912	22.59381338	22.40970285	22.73114322	22.4803853	20.62573793	20.7207224	21.17443383	20.78464353	20.38888732	21.32733239	20.43525377	21.34612535	21.2391007	21.17269684	21.99385334	22.05755733	22.47019376	21.87632705	22.70619878	21.48451058	21.89370027	22.08208974	21.63371842	22.03985047	22.4867712	23.18104562	21.93842274	22.77197631	22.10663258	22.18766574	22.79674596	22.38848049	22.95885933	22.3183289	21.26955019	22.07516884	21.76445423	21.33632812	21.02812764	21.89192635	21.67641123	22.95118403	22.13484225	21.80655188	21.88978959	22.65122998	23.26754839	22.71868881	12	22.78170779	23.19812246	22.74560129	22.83429859	22.79443253	21.19720994	22.94709254	22.55837715	21.88133403	21.76604427	21.88861506	22.51178932	22.46900343	22.64281544	21.94184973	20.87220339	21.0802917	20.71889958	21.08825366	20.99169284	20.74766719	21.01466158	21.57743194	20.87313842	20.82093687	21.67785381	22.29442794	21.92832996	21.74680408	21.37350601	21.72395783	22.28187189	22.09403466	22.30825056	22.24633832
N-Acetylornithine	17.9784612	18.26471218	18.0474468	17.95418521	18.70841109	18.66824217	18.01108476	18.15877285	18.44066682	18.58710576	12.9051511	12.5372472	13.79920009	12	13.19925927	12	13.29772122	13.68288306	13.78889105	14.44471464	17.44451245	17.77336491	18.1908852	17.39262047	18.00287801	17.11734094	17.74249448	17.35398849	17.43847525	18.02212175	18.27865632	18.06775192	17.2723893	17.93716222	17.87600839	18.1248412	18.16263258	17.67023179	18.1248781	17.71206062	13.30382046	13.27237136	14.58193323	12.68191813	13.426517	13.12020528	13.26410566	13.77094371	12.22399829	13.20840138	17.47016695	17.71352759	17.53118487	17.86245736	17.25814259	17.53707049	17.51596506	17.64958742	17.35021339	17.85563928	17.83342298	18.20318951	18.18792032	17.51526046	17.41113325	18.08929093	18.07926878	17.69566977	17.81092068	17.34007012	13.94271968	12	12.30482992	13.55631461	12.85161714	12	13.20169784	13.85395645	12	12.53433518	17.56689891	17.97131831	17.1254305	17.53887106	17.2236257	17.44366559	17.51043352	17.51909354	17.32460524	17.70179494
N-Acetylvaline	18.87633717	19.45268327	18.5992768	19.24293261	19.97338741	19.41506411	19.1899206	18.9859596	19.15289816	19.26924755	18.0680607	17.82105311	18.34698923	17.99610545	17.79962184	19.01375049	17.61543084	18.49820024	18.3269447	18.55362308	19.02730585	19.09431339	19.20445801	18.70137204	19.50714509	18.50430269	18.47657824	18.8567306	18.47082827	18.86277232	19.59066151	19.90651851	19.10857869	19.47099579	19.0963653	18.82658039	19.62876591	19.24302911	20.05084555	19.12681095	18.35628539	18.60337178	18.96704477	18.37248503	18.25932462	19.16303001	18.14069515	19.63054232	19.14067736	18.97076664	19.02284256	19.58900004	20.11215121	19.76546134	12	19.71907083	20.17681367	19.41901569	19.79733143	19.90834644	18.44624229	19.89407752	19.39637234	18.87924567	18.72157267	18.7439293	18.89486188	19.41754352	19.30839361	18.94194785	18.08997266	18.233904	18.12979553	18.31583048	18.13759548	18.09596356	18.30318765	18.81290664	18.36109616	18.2917512	19.14613544	19.4092367	19.10916766	18.87909793	18.49040778	18.64093156	19.17682767	19.23354113	19.27293912	19.53648059
N-Formyl-L-methionine	18.72269665	19.50261368	18.9236783	19.73964909	19.71830825	19.31296104	19.67436675	19.35749737	19.3388774	19.36818365	18.17708614	17.89035586	18.45861988	17.80513306	17.69149307	18.64376197	17.57548524	18.44488345	18.76646228	18.94873901	18.36763244	18.26141807	19.34521423	18.09372623	18.97476458	18.19673734	18.46239655	18.67967252	18.79622591	18.47950954	18.45822273	18.37630414	18.00158378	18.37964899	18.40644378	17.77635381	18.37321365	17.66716829	18.74051545	17.73143712	18.96888858	18.36241783	18.58140932	18.07014978	17.81279659	18.84442371	18.19521899	18.82474776	18.6383294	18.4917851	17.75793146	18.30566699	18.69419537	18.7111959	12	18.17061934	18.50416821	17.91584729	18.15434022	18.88018848	18.11884747	18.88963244	18.80034145	18.56541765	18.59850452	18.00281107	19.10518711	18.03682189	19.15550709	18.18949115	18.88016045	18.33350657	18.10543491	18.24980789	17.9245928	17.79696988	18.15913577	18.87722299	17.88434503	17.73853927	18.29643595	18.99896903	18.22714746	17.95733988	17.8690511	17.71998618	18.45169269	18.09591206	18.02774607	18.8955457
N-Glycolylneuraminic acid	16.4586966	17.94068791	17.02015203	18.3174594	17.47332128	17.28526942	17.67141926	17.88691662	17.62287995	17.58128323	16.74430613	17.12944764	18.46108183	16.89723734	16.80185516	19.44986085	16.78528243	17.95277181	17.77734051	17.77564333	17.04604171	17.13296578	17.52823744	16.96926355	17.5496257	16.77519119	16.74939103	17.07734905	17.14644997	18.49745949	15.81031304	16.91059589	16.35894156	16.87318152	16.44829871	16.45995785	16.98586903	16.8677968	17.95766773	16.64138071	17.2831015	17.12245788	17.57859647	17.16932286	17.04758409	18.69578424	17.0867422	16.83363935	17.4158422	17.62654947	16.61222205	18.37819734	17.34316402	17.56633967	16.87296912	15.9687066	17.28079809	16.38240872	16.60215639	18.08444753	16.1604205	17.06920242	17.05753882	17.50945258	16.81686403	17.04921907	17.37995563	17.03739631	17.85095108	16.751794	17.30309105	17.27630377	17.52852327	17.15629035	17.5526854	17.07884938	17.38037928	17.54755637	17.29273081	16.93732362	17.58260682	17.96853743	16.97347772	17.14145811	16.81900542	16.98042516	17.36549012	17.49023381	16.56604858	17.53435798
N-METHYL-L-GLUTAMATE	19.78987777	19.94328022	19.50862899	19.82116593	19.95384449	19.34773395	20.1210141	19.71971583	19.661449	19.71817915	19.44203141	19.3199798	19.42475948	19.36004546	18.97619097	19.42982352	19.0612629	19.44744701	19.53526398	19.54010864	19.44510517	19.4310572	19.68056739	19.46012026	19.4834939	19.04171546	19.03594297	19.45686711	19.36795178	19.62955406	20.40490494	20.0885568	19.82789739	19.56713446	20.16693062	20.27459925	19.86647556	19.71525266	19.90822117	19.77333573	19.22752532	19.33092084	19.34253983	19.10812991	19.02100604	19.73336088	19.24957804	19.38851859	19.67238034	19.33033579	19.818155	19.96594815	21.36232445	20.93046476	20.80838792	19.48373325	19.74642872	19.66374886	19.7311944	19.84364958	19.77926729	19.89671155	19.64059049	19.39204996	19.126301	19.45690846	19.86993746	20.15190116	19.48194869	19.4050221	19.40606704	19.33779514	19.0679242	19.02920515	18.98785425	19.51004446	19.30905316	19.58655338	19.24942367	19.26857184	19.7434744	19.94005017	19.24572315	19.55761012	19.21862768	19.17303354	19.36240659	19.98579461	19.59290135	20.26648132
N6-Acetyl-L-lysine	15.37191008	16.70616294	15.67153632	16.21950253	16.46386994	16.47931364	15.96370865	15.82027286	16.21931138	16.05316392	16.29619016	16.38406701	15.90121678	16.99575171	15.72307355	15.88899912	14.81221893	17.37299508	16.17031676	15.99213481	15.40199246	15.08356568	15.69246865	15.28099542	15.50229051	15.55504486	15.49843729	16.13282932	16.28582155	15.23420055	15.99560224	16.06771335	15.8650314	16.26313005	15.78431004	15.4897359	16.23469539	16.03507074	15.87609488	14.17295986	16.98510075	16.1767948	16.16078039	17.1741787	16.21503717	16.441666	16.0491205	17.95348557	16.66021411	16.11423274	15.85347985	14.98013679	16.36741288	16.26195745	15.77902877	15.76072563	16.10482923	15.99036966	15.14984339	15.21092382	16.18925737	15.92034477	16.39794732	15.44619774	14.61119099	16.40081522	15.39984689	15.28187189	16.5286264	14.21916187	16.53707487	15.83879845	14.5922581	15.78416994	16.0599113	16.06826921	17.02104909	16.90124615	16.21671863	16.33301022	16.12014025	15.8018594	15.94566753	15.21110242	14.99570204	16.4073964	16.31070777	15.97885261	16.26241792	15.64699502
Oleic acid	24.66777543	24.79304917	24.69145931	24.46192265	25.06720571	25.01783416	24.78974586	24.44912937	25.16021474	24.59595982	25.41465763	25.45656498	25.05828741	25.20372258	24.5812038	24.58614526	24.87215482	25.4803011	25.44463175	25.64438574	24.13571304	24.7033142	25.10135635	24.30282283	24.64389846	24.39005911	24.63392968	24.70465776	24.92841618	24.89175376	25.67549548	25.44472943	25.50523587	25.3642342	25.97083938	25.53186675	25.02536822	24.94101428	25.60257009	25.22841754	26.16038649	25.2529391	25.53721449	24.86883301	25.39615281	25.22612301	25.15912806	25.47731508	25.43774763	25.15374637	25.17534076	25.72700483	25.31287409	25.84231994	12	25.51106928	25.30487893	25.25198205	25.7659841	25.30381767	25.80082379	25.24783236	25.37612817	24.67125458	24.40277632	25.55596956	25.16345421	25.62400737	25.33732627	25.01000301	25.8942427	25.60956079	27.01490756	26.39654886	25.97651833	25.33629366	25.93833829	26.08604355	25.67388701	25.95108004	25.39696754	25.18358314	25.17006289	25.45686824	24.96014409	24.9378841	25.57743805	25.43636551	25.57185215	25.51449303
Orotic acid	19.33526317	19.99377673	19.4097725	20.06581662	20.09179999	19.53430086	19.11934344	19.96159559	19.93535176	19.95290971	18.82973909	19.16536232	19.92349062	18.82115308	18.72664558	18.83856611	18.76491582	19.44046811	19.4486332	19.45462072	18.52037877	19.5954914	20.24438765	18.5726756	19.1546922	19.77465909	19.29938174	19.60198621	19.99724212	19.04720431	18.61734314	19.62020103	18.09598657	18.25881271	17.7910958	18.23052698	18.53334055	18.86506973	19.59058534	18.5561711	19.09315817	18.96562551	18.79928844	18.67653337	18.8338555	18.63599217	18.59620784	19.082947	19.05296002	19.08884969	17.99552737	18.95734758	19.42017985	18.77983996	18.25885569	19.00820872	19.60558588	18.81153541	19.28508595	19.44113774	18.78023888	19.88756619	19.7028237	18.90897132	18.8731511	19.1533221	19.63315611	18.59935274	20.16788928	19.26832568	19.12453218	19.31623636	18.73908012	19.1635187	18.85059996	18.74785994	19.13896779	19.1688805	18.97135454	18.21925244	18.903673	19.75605417	19.58556351	18.80370792	18.35096116	19.18271698	19.77474886	19.22643042	18.8462719	19.01182645
Oxalic acid	23.41072526	23.9523801	23.58832943	23.89880212	24.076064	23.96247596	23.61874709	24.01090179	23.88096203	23.92151228	23.6208911	23.59371173	23.74435428	23.66506565	23.64512407	24.02265515	23.53884242	23.80624673	23.74764363	24.02411685	23.56824249	23.68208332	23.97576358	23.54118207	23.78181113	23.55679416	23.51460655	23.63226828	23.93665276	23.71149264	23.99922217	23.65870671	23.59361783	23.5615074	23.53690324	23.61309351	23.48412726	23.54124069	23.8209176	23.4978863	23.81170208	23.59012317	23.74083184	23.5711697	23.61956032	23.90500728	23.80256024	23.68412011	23.79629266	23.69886318	23.3929841	23.85202757	23.81070577	24.06609231	12	23.55323038	23.89814402	23.50470129	23.67771158	23.88525845	23.87057177	23.93009636	23.75859501	23.44012247	23.54251001	23.65883471	23.66778929	23.59027911	23.89689232	23.57711173	23.8171809	23.6595096	23.63661234	23.81068842	23.78462037	23.71372212	23.73948511	23.89953699	23.59860674	23.65046278	23.79446465	23.59663747	23.50889636	23.44329226	23.42005491	23.49147869	23.73366291	23.70832962	23.53363819	24.19882988
Oxoglutaric acid	25.44424236	25.65639311	25.3063823	25.76060717	25.56596308	25.59291777	25.20247481	25.66897466	25.75703866	25.56536709	24.49450588	24.17234128	25.06194053	23.64149703	23.526831	22.56706028	24.28699226	25.11380463	25.2791054	25.02005129	24.23839483	24.4348126	25.40139999	24.64691166	25.20000641	24.74729369	25.15358265	25.23953123	25.51374121	22.85264637	25.3573007	24.84800365	24.73781889	24.90110627	24.80092744	25.24682524	24.91804313	24.65134113	25.27590496	24.64497505	24.36627525	24.35047995	24.5177972	23.76679103	23.72325097	22.69315054	24.1724359	25.25331848	24.73835052	23.99516332	24.06968773	24.85130193	25.47027657	25.17532401	12	25.11406288	25.1741819	25.00169733	25.30598281	24.49094682	25.28179861	25.45869159	25.5618749	25.22489947	24.90605025	24.93873545	25.44292072	25.08175843	25.84634585	24.91658009	24.47739699	24.49352798	24.51100834	24.83957672	24.26820387	23.21504399	24.08529772	25.90610642	24.42441339	24.01160656	24.61124604	24.00056365	25.0682154	24.96032512	24.49777766	24.78715439	25.25105746	25.16146222	24.92574865	24.05605734
Palmitic acid	28.01109739	28.30515484	28.135391	28.08901398	28.42063991	28.35564199	28.11540075	28.13433199	28.32833677	28.10720159	28.11192572	28.0786709	27.9758965	28.11198938	27.75707224	27.66753518	27.77971986	28.49543262	28.34361528	28.42507642	27.69412277	28.11303851	28.43915316	27.72638116	28.14482734	27.8223845	27.97600702	28.13675946	28.36659156	28.03203362	28.50836217	28.23461061	28.06544358	28.134682	28.11305648	28.1866186	27.99036914	27.85654711	28.53129543	27.93722141	28.37511117	28.12037411	28.25715114	28.08290641	28.27278453	28.20968107	28.39763638	28.33649389	28.42571827	28.18264592	27.823157	28.57777536	28.16639159	28.51919315	12	28.11688409	28.33261094	28.17053927	28.2607503	28.36934081	28.47549361	28.33427724	28.24843041	28.04669189	27.77123878	28.19421821	28.2230102	28.19429637	28.56708164	28.18019054	28.31887472	28.17568918	28.56902302	28.41762476	28.29958535	28.1969387	28.36796657	28.59727456	28.20321954	28.25793103	28.2789716	28.56717439	28.09640182	28.17523658	27.96949895	27.7823051	28.54096376	28.24932283	28.22964954	28.39533003
Palmitoleic acid	23.28545739	23.13684111	22.95164685	22.85357332	23.18660575	23.40105619	23.29788924	22.91176729	23.6631246	23.33577864	23.47409247	23.4037874	23.24033905	23.19781285	22.53573991	22.17185862	22.90950832	23.55506511	23.51425089	23.88829399	22.72493419	23.64111055	23.79988227	22.62851262	23.42954453	22.81411762	22.88312028	23.28538797	23.59943697	22.76081769	25.1240918	24.66863259	24.89864558	24.25213412	24.97375385	24.66205593	23.9569012	24.15567709	24.35311411	24.86280636	24.75346763	23.36997361	23.92725234	22.98116972	23.60262094	23.03209064	23.31580906	23.96166756	23.7771377	23.70698548	24.61135187	24.33631355	24.73740322	24.95418397	12	24.75265168	24.66228731	24.14220025	25.08454112	24.01177852	24.87271536	24.15841369	24.38526985	23.0172835	22.80273358	24.28620225	24.06343705	24.63401124	23.75718611	24.1735216	24.54647531	24.06901963	25.35841538	25.28016459	24.51118284	23.71215721	24.50290984	24.61420569	24.10180532	24.49079054	24.73179455	23.57071736	24.34555401	24.35805582	23.90779975	23.96411212	24.75251173	24.81625362	24.89643173	24.22163211
Pantothenic acid	NA	NA	21.92717637	NA	NA	NA	NA	22.08384011	22.18403267	NA	NA	21.54431454	NA	21.32210791	21.17835043	NA	21.297287	NA	NA	NA	21.11043807	NA	NA	21.04383983	NA	21.60246101	21.70957271	21.6790809	NA	21.3494331	NA	NA	21.45212056	21.86522325	20.90962404	21.32565036	21.61131078	21.26856956	NA	21.19394144	NA	22.01095914	NA	21.62836978	21.44680314	NA	NA	NA	NA	21.81621894	20.50591002	NA	NA	NA	20.6853745	21.74131977	NA	NA	NA	NA	NA	NA	NA	NA	21.21473028	NA	NA	21.33728175	NA	NA	NA	NA	21.3220947	NA	NA	21.28720185	NA	NA	20.91652215	21.51393621	21.24245411	NA	21.50100716	20.89673049	20.95093147	21.12469513	NA	NA	21.25446915	NA
Pyridoxal	17.03781905	17.28997777	16.84820381	16.85000986	16.41240665	16.47702239	16.90775942	17.24360272	16.89542366	16.82015393	16.6043038	16.68829567	16.14785393	16.79123335	16.78767693	15.53114833	17.07578857	16.67500824	15.7639297	16.14699246	16.3189034	16.17162685	16.03524261	16.26872602	15.9728926	16.57082667	16.77158659	16.38249698	16.96306778	16.79025432	15.69409077	17.41263342	17.50423369	17.22858078	17.28631141	17.25291947	17.45989246	17.47419957	17.20005147	16.96717093	17.42105704	17.57551709	16.54626652	17.71918522	16.99734102	17.65086451	17.5251548	17.65142106	17.21046683	16.91144392	16.60103443	16.58083946	17.0860092	16.93216356	16.88186975	16.88013625	16.65867729	16.87320124	16.6101486	17.29405627	16.17553082	15.45495074	16.35664486	16.99884889	16.96885027	17.27665079	16.73100034	16.71385047	17.18944138	16.84057971	17.62208344	16.31215161	17.52231345	17.52489832	17.30643153	16.8074472	17.61040839	17.05175626	16.70288551	17.66302805	16.81486748	16.95472641	16.36635277	16.50934107	16.6144925	16.75535298	16.67523206	16.10218894	16.91453669	15.71080055
Pyroglutamic acid	NA	NA	21.02587035	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Pyruvic acid	25.54519416	25.69832326	25.896797	25.73656926	26.0603595	25.80120224	25.37811979	25.65745802	25.70409371	25.98150361	24.17973874	24.29769142	25.60717237	23.81722297	24.89398174	24.28106067	24.22118071	25.57267051	25.73824939	25.72704556	25.21839813	25.92737316	26.08598895	25.75142464	25.96941155	25.98148985	25.61927665	25.92385055	26.27023586	25.09715673	23.96964368	25.38258564	22.98952339	23.69583457	23.38737302	23.39397445	23.99362818	24.81972975	25.20050429	25.11482433	23.28143584	24.38057785	23.4417416	24.05019093	23.19716509	23.56427197	24.95609437	25.57958019	24.91832962	24.3946002	23.66744759	25.61654985	25.22956638	24.56722302	23.87596387	25.10029836	25.37072106	24.73489729	25.34572291	25.27454579	22.77017802	25.52516126	24.84986921	25.26681756	24.59775797	23.48443498	25.00253125	23.35854939	25.65404946	24.62420276	22.37264869	25.11207992	22.63685149	23.54166018	22.91026274	23.16838658	24.27209253	24.26219796	23.14030727	22.62978849	24.27113228	24.96706694	25.63686587	25.0160234	25.02410569	24.54897697	25.03019732	24.5325243	24.61071004	24.35991641
Quinolinic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	12	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Ribonolactone	22.27115067	22.846261	22.18513616	22.43375772	21.6845893	21.71910415	22.10483019	22.74678092	22.78090546	22.06819555	22.22015275	22.12249817	22.14286694	21.82865436	21.44407423	21.01310744	22.04819033	22.59953527	22.1164969	22.00837374	21.47646947	21.88098126	21.65298585	21.89550696	22.03247509	21.4670006	22.18618574	21.88081484	22.25772621	21.60827152	21.45764702	21.93344258	21.36224631	21.6849566	21.48537373	22.03379097	21.9686348	21.73881683	23.22899024	22.24677046	22.54933722	22.46992458	22.01847425	22.17384775	22.27120311	22.80040505	23.0774638	22.68970382	23.15871939	22.4585722	21.623339	22.80117707	23.22655199	23.0021262	22.03827233	22.18133063	23.23906835	21.97601751	22.3672869	23.1387299	21.97378923	21.70351614	22.0977155	22.21880931	21.92438729	21.93924417	22.41907807	22.26777525	22.81766243	22.19140115	22.83104789	22.29475998	22.0456187	22.87850188	23.10202791	22.14326471	22.7530992	23.35903918	22.69595125	22.61551436	22.63511329	22.73441121	22.24765246	22.25708048	21.98486249	21.79510348	22.95474753	22.24904457	21.91899886	21.56062998
Ribose-5-phosphate	17.3121746	18.05048058	17.18358253	18.67582527	17.5426171	18.87158757	18.56279953	18.69220842	18.35069064	18.55609753	18.04160936	17.73902077	18.87321016	18.66863713	17.69937886	17.20862359	18.12734686	18.78934847	18.57571223	18.474168	18.2254718	17.55893821	18.09452683	18.15889794	18.45647161	18.18593298	17.89762272	17.66686339	18.00103084	17.38680595	17.35951419	18.52217837	17.468609	18.84414955	16.72263944	17.10717333	18.49891115	17.94616265	18.61739426	18.18417618	19.02674411	17.52507676	18.82444964	17.45508122	17.70530365	18.84931537	16.99491524	17.55231507	18.05770969	18.17372166	16.95586555	17.95533463	18.09881585	17.32468969	17.33897353	17.47873395	17.99208977	17.51110995	17.99650038	17.51383781	17.83420165	18.16861321	17.67758578	17.99535726	17.07674336	18.9335257	18.64421101	17.84938248	19.22862863	17.08229135	16.76277912	19.25231259	18.93575253	17.14285541	16.64845118	17.37112402	16.78569302	18.59012866	16.88543805	17.59787933	17.0418959	17.83616625	18.30023622	17.35948979	17.35148764	19.27256059	17.58107125	18.8985596	18.01737306	18.62651973
Ribothymidine	NA	NA	NA	NA	NA	NA	NA	NA	18.24640385	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	18.24772141	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	18.0705103	NA	NA	NA	NA	NA	NA	NA	NA
SORBITOL/MANNITOL/GALACTITOL	19.81281813	19.94110565	19.64264966	19.99248339	20.34727681	20.10334496	19.60232916	19.84940997	20.02260283	20.18427139	18.87175186	19.81867316	20.05414538	19.6157595	19.21586844	19.56167613	19.28302121	20.80933902	20.02523623	19.97941377	19.0859439	19.95735387	20.36509386	19.16995603	20.10136597	19.37790726	19.56109772	19.91480965	19.83595469	19.02062852	19.81350448	19.9526268	18.98155169	19.58312834	18.96113568	18.97239973	19.30123536	19.0438083	19.77997498	19.3038968	20.0143546	19.86831438	20.30969838	19.8352775	19.96742109	19.97162424	19.85737397	20.47095373	20.45628384	20.84261228	18.68181521	19.6146119	19.7990631	19.77220129	19.33507804	19.86817862	20.07113089	19.57485345	19.98281006	19.62300134	19.35017183	19.82801442	20.24874744	19.58261578	19.00024144	19.52674983	20.28294347	19.51433494	20.09761858	19.52635022	20.01972306	19.71208393	19.67706999	19.79989373	20.03504556	19.50663555	20.14075037	20.69677613	19.6630186	19.7838734	19.63718293	20.05685565	20.01869531	19.29615403	19.12921619	19.297874	20.0034021	20.16845162	19.63547801	20.16754877
Stearic acid	26.96619201	27.12689821	27.09610483	27.25633439	27.35389147	27.46674962	26.96530439	27.08038719	27.1338062	27.05755022	26.94725417	26.8860492	27.02587002	26.99806312	26.67421522	20.43444536	26.6878279	27.51870994	27.28410946	27.61838729	26.76134234	27.2101059	27.4704825	26.66995347	26.97224528	26.88131788	26.86566381	27.30123759	27.29212262	26.81761793	27.4833897	27.26832997	26.77714172	27.00282531	26.82916294	26.85013313	27.01937303	26.61563648	27.46939191	26.71349172	27.28352701	26.87055248	27.19655665	27.06041047	27.20047585	27.27726668	27.41344057	27.27147827	27.36055657	27.23542777	26.89817576	27.4835554	27.11894234	27.27086732	12	27.12925078	27.21935511	26.92617653	27.19161817	27.25166646	27.37116711	27.49599418	27.25859996	26.99343279	26.66392461	27.19363409	27.26433793	26.96863876	27.49625988	27.18568592	27.28888874	27.18194598	26.80601539	27.32986927	27.34389053	27.18813771	27.23655425	27.55758512	27.16331185	26.98190213	27.23840605	27.47719945	27.18302682	26.76680791	26.69162256	26.65654019	27.44654155	27.26327049	27.23646039	27.29445655
TAURINE	23.56843131	23.75495405	23.50088235	23.91411401	23.75001914	23.5773916	23.72514956	23.90457877	23.78754233	23.90041135	23.73056602	23.08479882	23.37896183	23.36283596	23.03152807	23.85326995	23.06525736	24.04883207	23.32403465	23.40736113	23.33667994	23.22060579	23.7312029	23.17244094	23.57195015	22.95500411	23.47606681	23.31526567	23.43996236	23.46729409	23.61815616	23.79723019	23.55924089	23.28362436	23.21254848	23.59188399	23.63389953	23.22518684	23.64263611	23.07189161	23.71213936	23.55214994	23.20458532	23.55738365	23.23384448	23.76140758	23.67360152	24.22487195	23.83627626	23.3951038	23.67898809	23.67351623	23.71385918	23.64290356	23.52826141	23.35859393	23.949369	23.60774084	23.34273459	23.69704592	22.96143088	23.34849706	23.59083692	23.39767372	22.76340721	23.07879369	23.66045677	23.38866572	23.67811084	23.23020665	23.66865336	23.10194795	23.2904246	23.55834083	23.14849691	23.46766077	23.86104458	24.0512921	23.04941386	23.60136899	23.40317005	23.73010771	23.40886186	23.44150049	23.47245249	23.06427372	23.66657997	23.48167529	23.18555285	23.53840494
Uridine	18.6096035	18.94681456	18.69506258	18.94397911	19.43009148	18.97085368	18.63894493	18.83467656	18.82436417	18.86371887	18.17632551	18.67367301	19.21899196	18.62607852	18.50912417	19.63936412	18.34467084	19.38702271	19.4370735	19.73177032	18.56227119	19.09453843	19.53184784	18.563807	19.61231059	18.23715291	18.33461414	18.78990054	19.17222361	18.88460383	19.19394039	19.10275233	18.50065093	18.95635923	18.60813579	18.29683823	18.67693629	18.45509101	19.11824454	18.51953968	18.52424135	19.11716986	19.09646794	18.87174218	18.85963914	19.73018112	19.53072542	20.24812953	20.09822955	19.75569211	18.37739947	18.89209965	18.77734472	19.03314318	18.39323738	18.8971763	19.15240353	18.4297985	18.88709239	19.24594607	18.44786201	19.30115789	19.04037301	18.34066238	18.03713385	17.89591027	19.35449812	18.18555345	18.3196633	18.23420961	18.55100412	17.86253095	18.3399439	18.79754952	18.63295272	18.27552607	19.50327062	19.06979539	17.95413426	18.47978224	19.12700279	19.07246614	18.26420204	17.93725455	18.66203202	17.97790989	18.81260106	18.7202976	18.64127563	19.64106931
Uridine 5'-diphosphate	14.46340625	18.19507072	12	17.63829725	12	16.92885917	14.30491262	19.3655327	16.64606941	12	14.06384121	15.36458876	17.0056189	13.77840685	14.65536967	12	12	15.73211369	12	12	14.36473809	15.71023964	16.85036971	12	14.38011118	12	12	12	15.55347309	12	12	14.42615071	18.19706203	17.28477455	12	12	15.63316387	12	15.46913252	12	13.76986921	17.3416745	12	16.19021246	12	12	14.53693726	14.44044074	12	12	14.99342727	12	18.21697419	12	12	17.70690604	14.20230351	12	14.81601303	14.03359322	12	12	12	12	12	12	14.29756031	12	16.55052593	12	12	17.44622967	17.91468102	12	14.67847001	12	12	12	12	12	13.87198079	13.95918525	13.77728702	15.41607938	17.30850513	14.59309017	13.94465479	18.78086202	12	12
XYLITOL	18.1683601	19.31137512	18.35596923	19.32110978	20.0855099	19.9069393	19.58202894	19.35680348	18.30564375	19.84646943	18.71767757	18.60962413	18.82271368	19.84435513	19.51929467	19.32038562	18.73047097	19.62036091	18.96947435	19.09640359	19.47234874	18.13139589	19.97369071	18.1754227	18.44377687	19.40597723	18.39563049	19.85471366	19.13727871	18.37010881	18.95025784	19.8888131	19.55190548	19.78946967	19.4332156	18.67709473	19.75216746	19.05045135	18.39674417	18.42436661	19.66911603	19.81298025	18.70971153	19.59814794	18.65826216	19.38917218	18.16527306	19.4854569	19.61308204	19.91387624	18.82605508	18.65464258	18.71789864	18.65621982	19.76620182	18.64753232	18.66915918	19.79886807	18.92831117	18.71378473	20.09996848	18.52542534	18.72371125	18.40352648	18.17109874	19.65637423	18.70379207	18.75213019	19.24457695	18.46087568	19.67410205	18.91537794	19.86939353	18.71091655	18.59884887	19.62069952	19.49488939	18.89253355	18.73181817	19.89816478	19.64800334	19.6128234	18.60680279	18.94907123	18.58166814	19.65459593	19.69915896	19.17889018	20.03955884	20.46309526
acetyltaurine	20.35421521	21.16516094	20.25901436	21.53455687	21.69503039	21.10942594	20.83880537	21.25239561	21.07475543	21.20963541	19.22258444	19.41916849	20.4008797	19.18942961	18.72561974	20.56291351	19.04572017	20.08975773	20.15017973	20.12746023	20.19296098	20.67775491	21.16361298	20.03445778	21.0051717	19.95136218	20.01893992	20.38401364	20.57785325	19.96424355	20.79930662	20.49479956	19.81276243	20.10155545	20.52200089	20.21424352	20.40544781	20.05672717	21.02588471	20.2497765	20.1442193	19.96841834	20.30543988	20.00281708	19.5123917	20.31787531	19.94741979	19.8911708	20.07980523	20.16732978	19.56317905	20.70308276	20.52432039	20.3738506	20.30805998	20.21241757	20.71834087	20.31526222	20.29856228	20.80258075	20.03794553	21.14375438	20.46596254	19.86209814	19.89284257	20.1241707	20.41056561	20.16039018	21.03284767	19.84279381	20.14541243	20.0256411	19.87961587	19.757648	19.34661707	19.58088235	19.7774559	20.19946252	19.62991997	20.1299799	20.35706279	21.06379251	19.90996475	20.34750121	19.67113977	19.94094056	20.78600235	20.34818527	20.1490422	20.79894389
cis-Aconitic acid	24.91864527	25.12120545	24.84724272	25.20117958	25.48338909	24.95851847	24.75629895	25.14251829	25.02274962	25.23796148	24.66147944	24.33077563	24.98995529	24.40748341	24.11469853	25.02442734	24.21205237	25.50289103	24.96143486	25.03168858	24.19090615	24.31010683	24.98617371	24.14188745	24.75014747	24.36997255	24.50797038	24.61391174	25.01501003	23.79252253	24.8955249	24.76670238	24.10286316	24.44398207	24.47947993	24.54874067	24.54260246	24.34446551	25.44542209	24.28822808	24.44802049	24.99817351	24.86648584	24.54534254	24.04374523	24.09515473	24.55547662	25.03873366	25.40983127	24.75990494	24.02309662	25.18060486	25.0716887	24.781339	12	24.57775738	25.00466847	24.5928969	24.62985018	24.87067354	24.92920576	25.18418935	25.13563148	24.79112661	24.29552177	24.6311423	24.92807148	24.67828807	25.69324819	24.54454248	24.7308847	24.5648469	24.81630704	24.78233849	24.45411752	24.09717297	24.7966125	25.83953338	24.34888629	24.6872754	24.72325722	25.23379987	24.47307387	24.48795617	24.13898966	24.70951803	25.36356105	24.75174743	24.75078579	25.13753467
deaminoneuraminic acid	16.83749012	17.01538051	16.60564895	16.93633717	16.74229083	17.05643976	16.31203718	16.92524284	16.25623648	16.927722	18.28945383	19.08669296	19.61000617	18.22868235	18.20273051	16.19074206	18.37036215	17.81440106	18.39037838	18.26656596	16.75788061	17.04000069	17.55534707	16.58880886	17.09370238	17.00445726	17.49851094	16.99422506	17.31001596	16.41748428	17.10086682	17.34605242	16.22784756	16.46341823	16.22971437	17.07088481	16.66355669	16.44142818	17.44633759	17.00541296	18.74526922	18.70577464	19.44836286	18.77422615	18.76967534	16.62229484	18.60736633	17.60495584	18.39466404	17.56423847	16.42507129	16.79763194	18.31807274	17.09676035	16.59650884	17.0273288	17.8106739	16.87574626	17.3492927	16.75788885	17.42660874	17.57673863	16.93575847	17.3231591	16.40711278	17.12498819	17.17652867	16.79674625	17.40728475	16.50228504	19.29755331	18.7037887	18.71060047	18.88097641	18.63153412	16.80754193	18.89623307	18.93342818	18.16277562	18.19481681	17.13607289	16.7069622	17.39122825	16.79949339	16.72644883	16.83121136	17.88906376	17.10420761	16.82412542	16.66635156
nitrilotriacetic acid	21.26546983	21.83019902	21.33934346	21.80820053	21.70680004	21.92169087	21.27155165	21.80262364	21.94940561	22.05026119	21.42740441	21.57316731	22.00147537	21.75885349	21.27926101	12	21.15556299	22.43986841	21.97645539	21.78307817	21.35953618	21.61127937	22.01289916	21.31525683	21.79150791	21.08352575	21.34323872	21.58403269	21.83689318	21.60206598	21.69765483	21.68900013	20.93938453	21.44704626	21.1831271	21.41273432	21.43974416	21.15475817	22.05804046	21.37922406	21.96431222	21.95100158	22.00073074	21.57198786	21.53987538	22.25667632	22.23302657	22.06526952	22.42379864	22.05068699	20.86233968	21.97598551	22.00350899	22.06916406	12	21.10337378	22.17473417	21.5298928	21.73172931	21.9428657	21.858436	21.86521561	21.61924563	21.38175799	21.39512878	21.48853388	21.52355382	21.40483181	22.1114108	21.60414202	22.03778404	21.68804483	21.40482518	22.04269723	21.79722623	21.53202923	21.53943869	22.20250649	21.46479899	21.37432473	22.20602466	21.91990051	21.36559264	21.1988167	21.05417553	20.82521036	21.92540521	21.42940163	20.99782657	21.53038919

metabolite_name
(R)-3-Hydroxybutyric acid
1-Methylxanthine
2',4'-Dihydroxyacetophenone
2-DEOXY-D-GLUCOSE
2-Hydroxy-3-methylbutyric acid
2-Hydroxybutyric acid
2-Ketobutyric acid
2-Phosphoglyceric acid
3'-AMP
3-(2-Hydroxyphenyl)propanoic acid
3-Hydroxyisovaleric acid
3-Hydroxymethylglutaric acid
3-Nitrotyrosine
3-Sulfinato-L-alaninate
4-Hydroxycinnamic acid
4-Pyridoxic acid
5-Hydroxy-L-tryptophan
5-L-Glutamyl-L-alanine
Acetylglycine
Acrylic acid
Adenosine diphosphate ribose
Allantoic acid
Allantoin
Aminoadipic acid
Arachidic acid
Arachidonic acid
Citramalic acid
Citric acid
Citrulline
Cysteic acid
Cytidine
D-Glucose
D-Leucic acid
D-Ribose
DEOXYURIDINE
DOCOSAHEXAENOIC ACID
Dihydroxyacetone phosphate
EPA
Erythrono-1,4-lactone
Fumaric acid
GLYCERATE
Galactaric acid
Galactitol
Galactonic acid
Galacturonic acid
Geranyl-PP
Gluconolactone
Glucose-6-phosphate
Glyceraldehyde
Glycerol 3-phosphate
Glycine
Glycolic acid
Glyoxylic acid
Guanidinosuccinic acid
Guanine
Hydroxyphenyllactic acid
Hydroxypyruvic acid
Indoxyl sulfate
L-Alanine
L-Alpha-aminobutyric acid
L-Arginine
L-Cystine
L-Glutamic acid
L-Glutamine
L-Histidine
L-Leucine
L-Lysine
L-Malic acid
L-Methionine
L-Phenylalanine
L-Proline
L-Serine
L-Threonine
L-Tryptophan
L-Tyrosine
L-Valine
Lactate
Leucyl-Alanine
METHYL ACETOACETATE
Malonic acid
Mandelic acid
Mesoxalic acid
Methyl beta-D-glucopyranoside
Methylsuccinic acid
N(6)-Methyllysine
N-Acetyl-L-alanine
N-Acetyl-L-aspartic acid
N-Acetylasparagine
N-Acetylglutamine
N-Acetylleucine
N-Acetylornithine
N-Acetylvaline
N-Formyl-L-methionine
N-Glycolylneuraminic acid
N-METHYL-L-GLUTAMATE
N6-Acetyl-L-lysine
Oleic acid
Orotic acid
Oxalic acid
Oxoglutaric acid
Palmitic acid
Palmitoleic acid
Pantothenic acid
Pyridoxal
Pyroglutamic acid
Pyruvic acid
Quinolinic acid
Ribonolactone
Ribose-5-phosphate
Ribothymidine
SORBITOL/MANNITOL/GALACTITOL
Stearic acid
TAURINE
Uridine
Uridine 5'-diphosphate
XYLITOL
acetyltaurine
cis-Aconitic acid
deaminoneuraminic acid
nitrilotriacetic acid