metabolite_name	78_15	89_39	29_8	53_51	37_4	67_56	39_61	83_1	20_14	12_40	9_52	47_54	30_70	75_75	15_9	79_11	42_49	95_64	38_68	34_69	27_28	2_3	94_7	24_10	90_45	70_13	44_59	54_66	7_72	28_47	4_19	77_5	50_20	84_32	64_43	43_48	14_22	25_55	40_74	17_57	32_58	23_60	73_67	93_73
2-hydroxy-2-methylbutyrate	1.3336121	0.7360402	1.5705143	1.1681509	0.8507745	0.7136353	1.3305313	2.6337206	1.2028317	0.7840167	1.6890590	0.7225766	0.5960374	1.1658421	4.8866249	1.1022645	0.6209442	0.6655609	0.6937540	2.0116041	0.9027926	0.6138547	1.1918185	0.9493077	0.6912727	1.1589991	0.7537522	0.6123097	0.9652791	1.1789572	0.6417004	1.2610045	1.0409936	0.8677655	0.8523512	0.7919720	1.1716520	0.8346757	1.2412805	0.5568455	1.3838526	1.3275364	0.8014076	0.4182115
2-hydroxyglutarate	0.5956551	0.8728761	1.2168332	1.4777602	0.7278204	1.1974350	0.9622891	1.8969179	1.3215029	0.7938932	0.8405030	1.0494823	0.8733755	0.4870537	3.5709049	1.7714735	0.5088413	0.3911210	0.9186771	1.4185687	0.7475333	0.9100915	1.0458213	1.9275216	0.6117797	0.9800762	0.7751802	0.6319824	1.3497520	1.1810091	0.9531349	0.5242757	1.0147373	1.1916255	0.6261121	1.1903918	0.9109485	1.2335776	0.9727981	0.7583692	0.9758134	1.1435381	1.0841121	0.9415771
2-methylacetoacetate	0.9293642	0.9955335	1.0405571	0.9612566	1.0818340	0.9055971	0.6829194	0.7076460	0.8948449	0.5717404	0.3853052	0.6137331	0.9008739	0.4441566	0.8067308	0.8624791	0.8345124	1.0081788	0.9602471	1.4326158	1.0011713	1.2221813	1.0460016	0.7455086	1.9817084	1.0033602	1.0964023	0.9063944	0.5227398	0.6644706	1.1694005	1.0958971	0.7120534	1.1825169	0.8650015	1.4675399	1.3731819	1.1623657	1.3047380	0.8227156	1.2318030	0.7647670	1.1830307	2.0741489
3-methyl-2-oxobutyrate	2.0108609	1.0336494	1.2806213	0.9369397	1.0870915	0.6508788	1.2999717	1.1308204	0.7219834	1.1295438	0.9564215	0.9440439	1.5724923	1.1475879	0.7915663	0.8793807	1.2514332	1.1042502	0.7249861	0.6540120	0.9498792	1.2373261	0.8560997	1.2601818	2.1667370	1.2358433	0.8726997	1.3109633	0.9890953	1.1575847	1.8682727	1.9868767	0.9556536	0.7452027	2.2406678	2.1278091	1.2556116	1.2433821	0.8630960	1.2283565	1.1173290	1.3900246	1.0501849	1.6037556
3-methyl-4-hydroxyphenylglycine	0.97183333	0.46044003	1.20835500	0.70631118	4.23537448	0.49770161	0.49996932	0.23354466	0.06457832	0.56156776	0.81667295	0.24456736	1.00042929	0.41946890	0.14470868	0.58155819	0.30650633	0.40230478	0.63597400	0.66057227	0.30152762	0.32023217	1.12982700	0.61506042	0.74123097	0.87216265	1.93388598	1.49481712	1.52317299	0.52940574	0.87026968	7.18470222	0.31295805	1.11362091	0.56303014	0.34587377	0.87046910	1.12671536	0.95475382	0.59080062	1.03793258	0.79177120	0.90582726	0.71563738
3-phosphoglycerate	0.9053689	0.4651856	0.3552815	0.4569311	0.7524836	0.3769303	0.8641082	1.1859133	0.8935578	1.2454580	1.6410724	1.1541740	0.7563115	0.7549938	0.1533894	1.0844581	0.6489025	0.5888093	1.6507926	1.6642003	0.5531190	0.4274295	0.9233033	0.6425456	0.8053511	0.8652459	2.3357076	1.5481601	0.8349019	1.5583062	0.4643811	0.2352484	0.4910632	1.1161579	1.0106647	1.1093387	1.7592816	2.7253339	2.0170912	0.3031187	1.8549926	2.1217138	1.5923568	0.5642586
4-hydroxyphenylacetate	0.58251021	0.14761674	0.59723778	0.49861037	1.38352080	0.18562235	0.03787699	0.15927739	0.07626523	0.12561987	0.11029258	1.55728980	0.33997574	0.07725031	0.08228221	1.02224523	0.31061925	0.13588632	0.25369319	0.37955553	0.36373783	0.67846563	0.29196808	0.37470103	1.01395752	0.86918151	0.21625673	0.29486813	0.21639042	0.21148768	6.34479984	7.78997293	0.89451899	0.71853216	0.58228851	0.50242685	0.44045518	0.55998675	0.56580451	1.30857091	1.92110971	0.92768775	1.20648377	0.65476616
5-hydroxyindoleacetic acid	1.1283302	1.4268348	0.2682229	2.0831996	3.5627419	0.7267059	0.7696193	0.9521267	1.0462852	0.4269410	0.8593963	1.3065266	0.6833040	1.4801578	0.1860895	1.0146787	0.3125937	0.3067452	0.7842188	1.1141885	0.5095784	0.3373887	0.5189161	0.8579105	0.5577223	0.8926834	0.8491115	0.6378293	0.6371094	0.5114908	0.6373258	0.3215211	0.8766907	0.4594014	0.4403022	0.5875163	0.9836869	0.5512047	0.8481285	0.5382035	0.8882282	0.7311829	0.8570429	0.3990951
Acetoacetic-acid	1.0264466	1.2260943	0.5585107	0.2822926	1.1777683	1.3850265	0.6080154	0.5989163	0.7000860	0.7550494	0.2424342	0.3638364	0.1406520	0.9122814	0.8552678	0.7386425	0.1989760	0.8280672	0.4522128	0.8112602	0.4708598	1.4464854	1.7045475	1.2197898	0.8046486	1.3477702	0.6975741	1.4614702	0.9766101	0.9290669	0.7490744	2.2334890	1.6008881	0.9486151	0.8702600	0.1897760	0.8105601	0.8701205	1.5349898	1.0880654	0.4299756	0.5379336	0.3769606	0.5839059
Acetyl-coA	0.6712142	0.7391400	0.5444090	0.4254851	1.7874793	0.7130765	1.4662359	0.1805622	1.1315600	0.6773210	1.7967001	1.1460157	2.1128880	1.3601064	0.2724878	1.2151586	0.4938352	0.8955380	2.1092992	1.5036127	0.4718861	0.5499746	1.0812561	0.2738986	0.9585327	0.2726803	0.5991100	1.0505245	1.7664979	0.4059544	0.3514844	1.7578145	0.3607497	0.6398653	1.0274423	0.9657655	0.8232041	1.0551053	0.5483020	0.6304698	0.9674848	1.1098040	1.0510040	0.5232834
ADP	1.2772170	1.0243169	0.6903967	0.5777649	1.6616222	0.8725313	1.1990242	0.7991665	1.1172208	1.8141955	0.8028351	1.8919947	1.8336570	1.4276202	0.2810689	1.6714603	0.7267228	0.6960209	1.9945480	1.4738589	0.2181262	0.5735504	0.8174765	1.2365037	1.0381337	1.2455118	1.9566883	1.1268760	1.8367483	0.7114857	0.9657022	0.2754795	0.4546017	1.0415289	0.6331342	2.3781295	1.2768309	1.3579602	1.2602320	0.5791164	2.0477193	0.9929774	1.5756191	0.6104331
Argininosuccinate	0.7821254	1.1527747	1.1204662	1.1677710	1.3609117	1.2693176	0.9208531	1.0827391	0.8770538	1.0454292	1.0901291	0.9382531	1.2303540	0.9189969	1.0408723	0.9250089	0.8467980	1.0438957	0.9878967	0.9728039	0.6885419	1.5262038	0.9356972	0.9191525	1.1919405	0.8375770	1.0654243	1.0939346	0.7223970	0.7771599	0.9469302	1.3028179	1.2666847	1.2976494	0.8635012	0.7778327	0.8433553	0.7690976	0.8652481	1.3375459	1.0645354	0.6593315	0.7050798	0.9659095
ATP	0.5531879	0.8591603	0.8271094	1.3748805	1.3194151	0.6410125	0.5622425	0.2973985	3.9826762	1.1460682	2.1972541	3.1052518	3.2818426	1.4886745	0.1798311	1.5814469	0.3727931	0.3116855	1.2487922	1.7286431	0.1361393	0.3808349	0.5859623	0.9593807	0.6565183	1.2798687	1.2212378	0.8538009	0.9852506	1.0990865	0.3141834	0.1122194	0.6176962	1.3514441	0.7475164	0.9820199	1.7524889	1.1450261	1.0444953	0.2193273	3.4159366	1.2826992	1.7462847	0.7795275
Biotin	0.36651373	0.31863576	0.57855060	0.24605088	0.86351614	1.58866177	0.20862136	0.33110080	0.08984520	0.84430284	0.17016206	0.20581882	0.07445811	0.90480720	0.35438397	1.59491750	0.22264176	0.23769838	0.66107249	1.71275854	0.98332269	1.77577538	1.19990253	2.12599576	1.55873282	2.69457136	1.23733481	1.38288375	1.64947903	0.89708446	1.29016832	0.95444961	1.72816334	1.45263896	0.93559406	0.16816696	1.23612458	1.08980139	1.74255472	0.87262808	0.94101464	0.73531239	0.76984270	1.01787934
cAMP	0.4457100	0.5068673	0.5334435	0.7471848	0.9214356	1.0010534	0.4028008	0.7124634	1.8406011	0.8040941	1.0456712	0.5797141	0.3967682	0.5594776	0.4523823	1.4722933	1.0348986	0.5817354	1.3202054	1.7002389	0.6320720	0.9723522	1.0296083	1.0196854	1.2976151	1.3124182	1.2050628	1.3722845	0.6928749	0.4981767	1.0799207	1.3602735	0.7848457	1.1029395	0.5166303	0.6584128	0.8867157	1.1568729	1.0680255	0.8261068	1.0292498	1.1782149	0.7773026	0.5914966
Cholesterol-sulfate	0.7274191	0.5962546	0.5387677	1.6919972	0.8735030	0.6723666	1.3336804	0.9541175	0.5660742	0.5122448	1.3119097	0.8948422	1.2499301	0.5337355	0.8153004	0.8774517	0.5456577	0.6899077	1.5887690	1.9794074	0.4376635	1.6658691	0.9340777	0.3598500	0.5914701	0.8842104	0.8358780	1.3384422	1.3975832	0.5539324	0.5381277	0.1632695	0.2608561	1.0627253	0.4536522	0.8271557	0.8911991	0.9108600	0.6396189	0.6300744	0.5318996	0.6374835	1.1598559	0.9201346
Citraconic-acid	0.8212544	0.6332078	0.7972823	0.7042013	2.2899294	1.1653884	0.9984987	0.9734439	1.1259328	0.5722010	1.4821542	0.4971026	0.7192652	1.3701617	0.5136920	0.9745802	0.4761390	0.5916743	1.2538348	2.0334478	0.4540686	0.5125022	0.6705703	1.3634004	0.9443540	1.3808425	0.6643786	0.5767189	0.7282885	1.2783559	0.5571806	0.8421219	0.5388260	0.8055646	0.6106088	0.7872764	0.9693931	1.6118418	1.1658691	0.5629943	0.7230626	0.7588422	1.7466930	0.4175723
Deoxycholic-Acid	0.5567483	1.1529461	0.5326273	0.6088159	0.6860179	1.0043398	1.0174598	0.2623884	1.4880752	0.5868090	1.2736104	2.2424713	2.4685844	0.6095603	0.1598009	1.3329136	1.0101717	1.0775322	1.8636105	1.6832366	1.4402042	0.3736166	0.7569887	0.3064387	0.5771253	0.4631108	1.4081654	1.2775249	1.3729894	1.1160350	0.3285370	0.2777065	0.4849406	0.8760153	1.3772191	1.5903399	0.8801467	1.3511764	0.9859718	0.4552581	1.3542330	1.4045964	1.0654977	0.8477784
Deoxyribose-5-phosphate	0.6813466	0.9186092	0.7940073	0.7644439	1.0564049	0.6934969	1.1290403	0.8760462	1.0766489	0.9024365	1.3354662	1.1548657	0.7838644	1.1452346	0.6997145	1.2165053	0.9059011	1.0172258	1.2435338	1.2938319	1.0838914	1.8723712	1.4146493	1.6130025	0.9535247	1.2059343	1.2981876	1.1718288	0.8253530	1.4510660	0.8430106	1.1849500	1.3495730	1.1540527	0.9731336	0.9303679	1.0719057	2.0313196	1.1793224	0.8127179	1.1680322	1.2713782	1.2726518	0.8643339
D-erythrose-4-phosphate	1.3305715	3.1420555	2.6248456	1.4370765	2.8761241	3.3113129	2.2898700	0.1113966	0.9033090	1.5547784	0.8526705	1.2462877	0.6347677	0.8367555	0.8555002	1.7616150	0.4996383	0.5599941	0.7000462	4.5736186	0.1874936	0.7613032	0.5158350	0.5019035	1.0012198	0.2714878	1.2423201	0.8123847	0.6968893	0.3650170	1.3646969	0.6749217	1.4144079	0.9694272	0.4119578	0.9535147	0.2796550	0.7613057	0.5808157	1.3342486	0.3444842	0.3441593	0.4737309	0.4971297
Fructose-1-6-bisphosphate	0.8958699	0.9358212	0.5192617	0.9682999	2.3865504	0.4494126	2.0392122	0.3063243	1.7656670	2.6930778	1.7099973	9.7979003	1.2648588	1.0408916	0.3143364	2.2691300	0.6029680	0.5089325	3.2402210	2.2105923	0.2691142	0.3599881	0.7366074	0.8273609	0.5658578	0.6188576	1.7343126	1.3830401	2.4470457	1.2532635	0.5763614	0.3079991	1.2410611	2.9431216	1.0096800	5.3780823	1.9862817	1.8347010	1.6060892	0.4035319	2.4927448	1.5001866	1.1397718	1.0556344
Fructose-6-phosphate	2.3549405	2.1733520	2.4653515	0.5736445	1.7952217	2.7179804	1.9098725	0.2885639	1.1370234	1.8692073	0.9857939	0.8457368	0.3467351	2.0260132	0.4038080	1.2211153	0.2042690	0.8714574	0.5327660	0.9127958	0.1599008	0.4514044	0.7363293	0.5686981	1.0950342	0.5518577	1.1631322	0.9216370	0.4043309	0.2305927	0.7234617	0.9444929	0.5433026	1.3016676	0.3287629	0.5652807	0.3222288	0.7836266	0.4151643	0.9436123	0.2529934	0.3328313	0.3071648	0.2462994
Glyceraldehyde-3-phosphate	1.0531809	0.5889596	0.7270987	0.5355946	0.8974758	1.0105268	1.4658694	1.4240299	0.7325072	1.8254033	1.8706417	0.9538244	0.4183812	0.8700116	0.4528390	0.9488431	0.4497183	0.7022538	1.7538896	1.6278023	0.3448693	0.9973963	0.9349379	0.6410229	1.3780122	0.7501345	1.7151028	1.1429077	0.6252166	0.7801423	1.0866308	1.3110445	1.1636636	0.9736038	2.2473481	0.7764369	0.8394356	1.8996862	0.7473150	1.2763185	0.6425941	0.6181147	1.0869485	0.4750344
Guanidoacetate	0.6947903	0.9448570	0.7188372	0.5333110	0.8050917	1.3684523	0.8009659	0.8918027	0.4098793	0.7393026	0.5120786	1.2752636	0.3306568	0.5655851	0.6774772	0.6173380	1.5881995	2.0904516	1.3177308	0.7127761	1.0160944	1.2069076	1.7679605	1.0955229	1.5740466	0.7478822	1.3061433	0.8453017	0.7930579	0.8322955	1.4079129	0.8828369	1.0807567	1.0055381	1.1521591	1.2032832	1.1705543	1.4532841	1.7403309	1.1962773	1.2738714	1.0670803	0.5974766	2.0203332
Glucose	1.0148905	1.5236789	1.4842431	1.3699315	1.6159416	1.5020382	0.6998193	0.7373570	0.7817629	1.2955438	0.8815645	0.7640580	1.2624650	1.0990513	1.2427781	0.8591425	0.4712465	1.2884251	0.5904256	1.0032061	0.8110885	0.9777085	0.7843932	0.6919288	1.1742675	1.0405201	1.1333064	0.9602299	0.8394093	0.5586598	0.9110310	2.2363654	0.8285206	1.1335773	0.9040060	0.5774561	0.7488692	0.5991116	0.9717144	1.9280791	0.9350429	0.6484786	0.5415245	1.0683121
Glucose-6-phosphate	1.2858684	2.9315926	2.9849856	0.7045205	2.6109397	4.6602692	2.1741065	0.1688440	0.9678326	2.4971674	0.5899018	1.1208278	0.5857188	1.1639271	0.6051115	1.1449453	0.2382809	0.4555078	1.3729860	1.0591018	0.1296130	0.4611084	0.5316279	0.6855669	1.1164161	0.5102786	0.8297046	0.9453035	0.5092780	0.4004967	1.0050970	0.8270832	0.8975504	1.2172549	0.3967516	0.6788856	0.3088991	1.0348301	0.5293550	1.4109519	0.2776025	0.2852935	0.4989673	0.2382234
Glyceraldehyde	1.6760124	1.1438065	1.1471019	0.7386717	2.0412292	0.5261756	0.6971375	0.3624116	2.3046457	0.7736183	0.7763249	1.0842691	0.7927149	0.7418412	0.6213287	0.5832102	0.7133324	1.2714801	0.7526978	0.9080260	0.5229684	1.1132188	0.8191936	1.0457228	1.0395451	1.4128373	1.1605175	0.9443966	0.8615859	1.4521700	1.1957281	0.9859861	1.0796970	0.9219657	0.9512574	1.7252728	1.4789305	1.3781283	1.3915221	1.2699979	1.4003342	0.5521526	1.2926043	1.0672779
Glutathione-oxidized-GSSG-	1.2388538	0.9299534	0.7171363	0.7307196	0.7473780	0.6245044	0.6086429	0.6801115	1.6521083	0.7538261	1.1093006	0.8595287	0.5466727	0.3691568	0.1944175	0.8665089	0.7328528	1.8522889	0.7530248	1.1552435	0.7971691	0.6286880	1.1727330	0.7579016	1.0087449	0.9006665	1.9717982	0.9530334	0.6697197	0.9063160	0.4503144	0.6098832	0.4668582	1.0655543	0.2666532	0.5107448	1.3366259	1.2948316	0.8090480	0.3147850	0.9939960	1.7631168	0.8392552	0.9427842
Homocysteate	1.0399770	1.0383507	0.6802244	2.7079400	0.5571320	0.4739916	0.3394583	0.7994950	0.4374701	0.8626384	0.1711536	0.8082893	0.5970053	0.4171795	1.0159437	0.4822362	1.9307075	2.0361115	0.7493204	0.6442220	0.9289992	1.9476081	0.6330940	0.7118077	2.9361582	1.2476517	0.2504913	1.0649586	1.6250614	2.8652885	0.6834726	0.7461808	0.8461380	0.8938062	0.5237846	0.5950327	1.7582880	0.6296725	0.9263741	0.4049107	2.1199544	1.7336953	1.3784939	2.0579609
Hydroxyisocaproate	1.4075914	0.8925765	0.7594120	0.5755286	1.6458411	1.0315983	0.8228518	0.5685465	0.4345138	0.8970725	0.5196138	0.8549617	0.4787591	1.9439253	1.4111356	0.9885103	0.6474259	0.9675132	0.6913957	1.1276029	0.7916512	0.4965981	0.7082436	0.8676291	0.9395555	0.8898366	1.6094124	1.0629311	1.1421625	0.6941181	0.6770020	4.6435929	0.9142675	0.8654309	0.8470134	0.7325844	1.0370752	0.7069537	1.0205844	1.2072179	0.9867190	0.8664400	0.9871951	1.8266641
Hypoxanthine	1.0168422	1.0108086	0.5036222	0.2806777	1.2562653	1.3943346	0.5663779	0.6093543	0.7632350	0.7152779	0.1961304	0.3536039	0.1701531	0.9303111	0.9405653	0.7206155	0.1925326	0.7269767	0.3967946	0.8694296	0.4859774	1.5353580	1.7498377	1.1867119	0.6865907	1.5113148	0.6777089	1.3682804	1.1475688	0.8753328	0.7705923	2.3862772	1.9139802	0.8666366	0.9975833	0.1586900	0.7804581	0.8870533	1.3660746	1.1295979	0.4654375	0.4738894	0.3105361	0.5617750
Inosine	1.2376153	0.6428413	0.3556915	0.3272012	0.9429370	1.4371789	0.2826747	0.3013708	1.9588321	0.8761162	0.2325259	0.2546285	0.1814898	1.1337991	0.9523094	1.1367448	0.2212529	0.2886136	0.6534041	1.3359721	0.4116058	1.0118500	1.7384223	1.1549895	0.9266564	1.5948743	0.9361591	1.7946042	1.1325266	0.4916710	0.9794713	2.3844780	1.5514867	1.2847020	0.7656048	0.1591426	0.6043856	0.7159170	1.2133942	1.2450375	0.4399317	0.4521662	0.2317928	0.5236734
Isocitrate	0.9464676	0.9553323	0.2771549	1.4551323	2.3913933	0.6955841	0.5865291	1.1375851	2.4240109	0.3398403	1.3912794	0.4499594	0.9375475	1.2024318	0.3122065	1.4270806	0.2450760	0.7830287	1.2003515	2.4148436	1.3018467	0.3330878	0.9931275	1.0262009	0.6830342	0.9689347	0.8799837	0.7874111	0.6575251	0.9131498	0.3773701	0.5121914	0.3121342	0.4142356	0.6257750	0.3981833	0.3819704	1.0063270	0.6000200	0.6004929	1.2939418	1.1047435	1.7939388	0.1422872
Kynurenic-acid	0.7563597	0.3632000	0.2909771	0.3385435	1.2394737	0.5706741	0.3102032	0.3517971	0.3111201	0.5262060	0.2845420	0.4114906	0.6083954	0.8999042	0.3842223	0.5171476	0.3041712	0.7933076	0.4665863	0.6663905	0.5853025	0.6988564	0.5904165	0.9156458	0.7529964	0.5611458	0.6051925	0.6440499	0.7150460	0.7120656	0.9982552	11.7664824	0.6652639	0.8513476	0.5365163	0.7016938	0.5648143	0.6006700	0.8370960	0.7660504	0.6854808	0.3595788	0.4766666	1.9659000
Kynurenine	0.6681754	0.3011344	0.3410640	0.6968601	1.3753992	0.4361753	0.6774698	0.8851125	0.3109137	0.8215415	0.5115587	0.9944774	0.7826088	0.3361149	0.7024504	0.2788846	0.4841222	0.8722196	0.8853744	1.1197105	0.5648538	1.2132041	1.2684635	0.9879996	1.6695492	0.9032879	1.1436973	0.8009684	1.3817351	0.9848251	1.2563638	2.4355376	0.8993626	1.1462767	1.0269102	1.3786972	1.1931132	0.8821080	1.6026613	0.9825376	1.3863788	1.0569677	1.5853852	0.8967321
Lactate	0.8956734	0.9050017	1.3685452	0.8851977	1.2771136	1.4233041	0.8706961	0.7678080	0.7526549	1.3992701	1.2167402	0.8356805	1.2101045	1.3064396	0.9722590	0.7678345	0.6623758	1.1354017	0.7303416	0.8287028	0.6010157	0.8615710	0.7686873	0.7746213	1.0681260	0.8540192	1.0865536	1.1663355	0.7934556	0.6369356	0.9820421	1.5420053	1.2542309	1.1872169	1.0081326	0.7957261	0.7971084	0.7432103	0.8704982	1.3845966	0.8931848	0.6013669	0.6016270	0.7715353
Malonate	0.9579411	0.8359055	0.4543845	0.5688141	1.1305591	1.0059968	0.2060420	0.2155989	0.6093825	0.4014529	0.2032542	0.3427962	0.7623073	1.4023302	2.2509630	1.0101428	2.2374163	0.9890060	0.5578155	2.0947470	0.3540007	0.9339146	4.3348376	1.1189755	0.5920182	0.5965271	0.3115862	2.1847128	1.4646227	0.2466632	1.0583176	1.3605280	1.8204210	1.0180203	1.1278975	0.3607617	0.9600212	0.9477305	1.6670473	1.0700557	0.6336830	0.3250036	0.2445792	0.5285794
Malonyl-coA	0.4987783	1.1265356	1.0585619	1.4266921	0.8714261	1.3737059	1.5398401	0.3058136	1.1521253	0.6970775	1.6489333	1.1479662	1.0658967	0.4131060	0.3322278	1.2201282	0.6041585	2.0403111	1.0528357	1.4746042	0.8829803	0.8670296	0.6733838	0.1072224	0.3738092	0.3149018	0.9900203	1.9827932	1.7677318	0.3873949	0.5665900	0.3441977	0.5624494	0.7973214	0.8707153	0.5510720	1.2070874	1.7616030	0.9869413	1.2504958	0.8589127	0.7226673	1.5112339	1.6663832
Mevalonate	1.06913783	1.13969971	3.57217711	0.39951819	0.93899490	1.83292800	1.12662679	0.34730376	0.31845712	2.49426508	0.35602535	1.01228806	0.30128162	5.90976151	0.20163958	0.97342929	0.06505751	0.64950589	0.09843580	0.27143641	0.04284723	0.51496547	0.30893716	0.62118335	0.56943409	0.75024962	0.76736923	0.35319638	0.18730832	0.16044664	0.47164986	3.92071067	1.30083688	1.45827926	0.30536893	0.43667619	0.39058130	0.23108748	0.58628519	1.77120036	0.23662510	0.11231863	0.11110722	0.23806721
N-Acetyl-L-Alanine	1.1885397	1.3841977	1.2332977	1.1568411	1.2441601	1.3652035	0.8607497	1.2112907	1.1553937	0.9417759	0.9730423	1.4404849	1.4021118	0.6418828	1.0255828	1.1004187	0.7546102	0.7617597	1.1653856	1.0524898	0.3961211	0.8174073	0.6316704	1.3797507	0.4970419	1.0110672	0.8241263	0.7502448	0.7804470	0.5277600	1.0744589	0.6171778	1.1651105	0.6751760	0.4831250	1.2291513	0.6485133	0.7525201	0.7171512	0.7090723	0.8180068	0.5542307	0.7854909	0.8371293
N-carbomyl-aspartate	0.3764071	0.2332374	0.3923531	0.6109901	0.3825677	0.2282272	0.4677049	2.2583687	0.3396066	0.6457322	0.6932177	0.4476079	0.3131901	0.2096804	0.2397730	0.7659479	0.9307139	0.7626320	2.1749779	0.8387273	0.7960056	2.0379801	0.5645000	7.2696240	1.7712347	1.6143093	1.1075017	0.9873208	0.7695035	1.1243977	0.3367098	0.7540776	1.3770450	1.5427543	1.6343413	1.0395374	0.8971969	1.6775133	0.6337576	0.7500663	0.7602609	0.5731908	3.4148061	0.6722947
Niacinamide	1.0162614	1.1027896	0.5224683	1.6333372	1.8947612	1.1831559	0.8682139	2.3609028	1.3143522	1.4979010	1.1636773	0.8696356	0.8221954	0.8468832	1.9885853	0.6597480	0.3840590	0.5273182	1.8728184	0.9684405	0.7714040	0.8893416	0.8711432	0.6213225	0.4069538	0.7155675	1.1916577	1.2158599	1.3161417	0.6067055	0.7571013	2.0528379	1.0537984	0.9051399	0.4900350	0.9658280	0.7394458	1.0344303	0.5835865	0.7927033	0.9993373	0.7304299	0.5541210	0.5251454
Oxaloacetate	1.1531862	0.7304927	1.0543724	0.8317844	1.1870494	0.9047868	0.6200640	0.9196466	1.3436946	1.0490242	0.7932241	0.6453689	0.9939851	1.0972833	0.7502602	1.1318987	0.5107687	1.0701889	0.5770852	0.8810105	0.7351627	0.8958313	1.2343034	0.8711231	0.9299599	0.8350835	0.8333911	0.8559600	0.7726785	0.5704272	0.9724683	1.7755877	1.0930661	1.1712676	0.8132439	0.4411422	1.1312660	0.7843905	0.6206471	0.6310179	1.0299482	0.8274931	0.5276293	0.7342505
p-aminobenzoate-p-AB	0.7919683	1.2660539	0.5918681	0.2786984	1.0904047	1.2837385	0.6672323	0.7728407	0.7627429	0.8196779	0.5588482	0.3548360	0.2733646	0.7963237	0.8840704	0.7749372	0.1781463	0.8250183	0.4204507	0.7686440	0.4858558	1.2961558	1.8473309	1.2343174	0.7785477	1.9116133	0.7930103	1.6389255	1.1401572	0.9818702	0.8174360	1.6170800	1.9745891	0.9330145	1.0612516	0.2405831	1.0682312	1.0557864	1.5411270	1.1535168	0.3614215	0.5733709	0.3864786	0.4870734
Phenyllactic	0.6160725	0.4152484	1.2926560	0.6445604	1.5512682	0.8925416	0.5621758	0.4840371	0.5886249	1.1859508	0.6250484	0.9543975	1.1251043	1.4350874	1.3452687	0.6746948	0.3101886	0.6435287	0.4035912	0.6246720	0.6314831	0.8721271	0.5715340	0.5150439	0.7349778	0.6375587	0.9557193	0.8756831	0.8287796	0.7119305	0.8203444	6.9680021	0.7465760	0.6894002	0.9756446	0.4252378	0.8542049	0.5322472	0.4512353	1.0668087	0.8774188	0.6390530	0.8247913	1.2861951
Phenylpyruvate	0.8435736	1.0269871	0.5707950	0.9960724	0.8686482	0.4569583	1.3657950	0.4983430	1.4250493	1.0735094	1.0891868	1.1341074	1.5095706	1.0659442	0.5825029	0.8413358	2.9228403	1.6117314	1.1084839	1.1649626	0.6440703	0.7418281	1.8373376	0.5685232	0.6470687	0.5027085	1.5576182	0.9997700	1.0792108	5.5334847	0.7429127	0.8366326	0.4405518	0.4528271	0.9128268	0.9523515	1.3029009	1.0391587	1.5986985	0.8031761	0.9753051	1.0288915	1.4884504	1.1484015
Pyroglutamic-acid	0.8149007	0.8684065	1.1181819	0.9757566	0.7759828	0.6808041	0.3172840	1.6889864	1.2638919	0.6569715	1.0672702	0.6921797	0.4455762	0.5669830	1.5158293	1.3297043	0.5938946	0.8575199	0.9035283	1.6518439	1.2841847	0.7720956	1.4388538	1.3999073	0.9488128	1.1991981	0.8385164	0.7794924	0.9095520	1.1711816	0.7473852	0.4210170	0.7082519	1.9025829	0.6151797	0.6381954	1.2963282	1.7162279	0.7711864	0.5071896	0.8756029	1.8060517	0.6900800	1.3206110
Pyruvate	0.8334396	0.5654169	0.5444562	1.0944552	0.9437208	0.7224468	0.5684826	3.2114420	0.7304527	0.7586404	1.6164446	0.7705167	1.0383480	2.7115216	0.5455874	0.9404556	1.2155474	0.7484694	1.4561319	0.8200931	1.1102466	0.6792648	1.5791745	0.5691724	0.7280728	0.8249305	0.7620158	1.5170095	0.6510026	2.7690737	0.4483963	0.6758046	0.6269661	0.9731368	1.1667518	0.8057858	1.0188009	1.7858835	2.0046427	0.6121744	1.2146155	1.1554995	0.9680580	0.7141289
Quercetin	0.7498364	0.5088925	0.8890470	3.0998099	1.0932390	1.9438763	2.0123615	1.4533258	0.8700806	1.1168183	1.7139914	1.1491941	1.1622803	1.2513079	0.6348888	2.1616301	1.8481631	2.5243336	1.1298081	1.0235825	0.7429842	0.6730951	1.1623630	1.0247417	1.3190836	0.9951206	2.2498259	1.0354497	1.2110516	1.7930461	0.5528939	1.0815152	1.1570567	0.8933534	0.9901066	1.3971093	1.5175846	2.4311218	1.7514481	2.9904536	1.0453513	0.7162074	1.2876696	1.8656102
Riboflavin-5-MonoPhosphate	2.63234448	2.20722596	2.18136000	1.45636845	1.88151748	1.64931583	1.13866426	1.68891846	3.49276258	2.06752672	0.79640408	0.52421754	0.36830761	1.79002395	0.82331425	0.65398629	0.34525678	0.26892504	0.47239087	0.91996776	0.05926076	0.21167365	0.28341682	0.34669371	0.47613840	1.08240156	0.92421756	0.88979952	0.16811656	0.18319831	0.40437115	0.27622223	0.24809677	0.58887690	0.08140317	0.45287339	0.12891176	0.78754922	0.38987030	0.44066415	0.30665512	0.23507049	0.24811088	0.09986718
S-adenosyl-L-homocysteine	1.0776084	1.1924796	0.6761976	0.8767359	1.3664889	1.4030258	0.8536409	0.8170053	0.8291808	0.5985813	0.4878332	0.4546346	0.4356839	0.7586354	1.2030225	0.7645674	0.7456325	0.7373465	0.8217159	0.6596869	0.5864920	0.7139188	1.1707193	1.1536558	0.5710479	1.0075998	0.4535233	1.1733673	0.8962977	0.7067045	0.8737105	2.8174103	1.5272603	0.9433579	1.0928705	0.9311977	0.6061686	0.8658796	1.2510540	0.6290823	0.6835836	0.9031265	0.3427507	0.9215251
Succinate	0.9597138	0.5597447	1.1213219	0.7318965	1.2582934	1.0560858	0.7738871	0.8389987	1.1043400	0.7521578	0.7460833	0.8308814	0.6163284	1.4056995	0.7840343	1.1311135	0.1855065	0.6731354	0.6674963	1.2279629	1.0445399	1.3014088	1.1772692	1.3000728	1.6532994	2.8790747	0.9068766	1.1612491	1.1191884	1.0908513	1.0070162	0.7302105	0.9644647	0.7364322	0.7807701	0.3599760	1.4196925	1.8399979	0.8006086	0.5711031	0.7780643	1.1173535	0.9765395	0.2830152
Taurine	0.3920422	0.4313351	0.7955428	1.2502205	0.6907666	1.3647420	0.4630825	0.8979114	0.4699098	1.5498508	0.4932318	1.2992641	0.7134511	0.7336327	0.6711133	0.7256007	0.5101262	0.8365793	1.2054157	1.5714603	0.7753762	1.3006041	0.7489606	1.1316099	2.0535026	2.7393699	0.7505723	0.9982434	1.0917767	1.9587872	0.8531836	0.8474220	1.2677691	1.1076438	1.3808261	0.7824234	2.4037683	1.7445244	1.6136523	0.5876027	0.9344689	1.0811274	2.7683256	0.6669668
Taurodeoxycholate	0.24521919	0.28476185	0.20877247	9.40544636	0.57792431	0.02577753	0.13736218	0.34319322	0.17797705	0.08784027	0.03997461	1.29709022	1.40199214	0.06605986	0.38571280	0.42067734	0.97126457	0.46122434	0.20729527	1.05707522	3.26551513	0.37205987	0.17362533	0.09331286	3.19809434	0.75708318	2.13709598	7.49659740	0.31713684	0.62217245	0.35491490	1.39939426	0.10088169	0.12415998	1.02756042	0.09423595	0.10536126	0.21307130	0.32372398	0.66575368	0.59324938	1.13332459	1.37179957	11.84787046
Thymidine	0.9747345	0.3730872	0.5665258	0.5914134	0.4995746	1.3459634	0.6187493	0.6571678	0.4861816	0.5695384	0.6303481	0.6474250	0.3883561	0.8987003	0.8442701	0.5874470	0.7196159	0.6993243	1.5414697	0.9396989	0.5945916	2.1699616	2.3082584	0.9519314	0.8408124	1.6322992	1.0230520	3.4577767	1.2735366	0.5292344	1.1197885	4.8168711	0.7079277	0.9966102	1.5403564	0.9371914	1.0803335	0.9217679	1.1504836	0.6407462	0.8363192	0.9949790	0.8292230	0.7428178
Thiamine-Pyrophosphate	0.9065152	1.0390508	0.9370919	0.7189083	1.2618049	1.3504629	1.0027664	0.4332676	1.0685311	1.0862690	0.7402265	1.4303082	1.3317791	0.8526996	0.8900551	1.0579387	0.6499594	1.2178526	1.7894203	2.1651751	0.4400453	1.8618873	0.6384993	1.4071364	0.7876367	0.5822400	0.7117277	0.9042940	0.8459683	0.5325828	1.4262394	0.7419052	0.6823583	0.8469902	0.6479394	0.9649772	0.7278839	0.9443591	0.5127864	0.7166803	0.6956091	0.5291546	0.9517913	0.6108550
Tropisetron	0.8890933	0.7163300	0.7242439	0.4399680	0.7218729	0.7984634	0.8859814	0.7672617	0.5700631	0.6496484	0.8512758	0.7068938	0.6029268	0.9120338	0.3262582	0.4022499	0.6420636	0.5214487	0.4084062	0.3203866	0.8343103	0.4855772	0.9152237	0.4688939	0.4620361	1.0061022	0.8072043	0.3513633	0.3684017	0.4976524	0.6006393	0.4729166	0.3999202	0.7377020	0.6833958	0.4477036	0.7988381	0.5209272	0.5009828	0.7467531	0.2050364	0.7352830	0.7636680	0.6819502
Uridine-5-diphosphate	1.2024073	1.1532646	1.4776525	1.7170634	3.5332119	0.5134066	1.6483093	1.0062040	1.2596690	2.3775565	1.1382197	1.5917516	1.3639924	1.7858231	0.4425921	1.1835756	1.0355294	0.7475487	1.0887948	0.9466108	0.6898951	0.3087078	0.7230681	0.8668268	0.4499378	1.1643896	1.1920197	1.0079149	0.7385054	0.2856249	0.4203301	0.5558450	0.5483948	1.3233221	0.6280199	3.1431009	1.1205670	0.8062200	0.8337232	0.4474585	2.3942424	1.1958420	1.1337121	1.0258387
Uracil	3.68942486	0.97083084	0.30644035	0.18838828	2.28141979	1.51028230	0.47496110	0.45754287	0.12943023	0.60906686	0.11943009	0.12443484	0.06382871	1.30274664	1.36744959	0.27273926	0.11630337	0.29852913	0.21789004	0.94360219	0.37344309	1.75194730	1.79069351	0.95340725	0.70572092	3.71982790	0.66972905	1.94598553	0.65321677	0.59849501	0.50054345	3.50732864	2.38898713	0.85769877	0.70409741	0.11741613	0.54690018	0.64106230	1.32527802	0.65453274	0.35925898	0.38321266	0.22606921	0.47245259
Ureidopropionic-acid	1.6883970	1.1914689	1.2545934	1.1808821	1.2641736	1.4419327	0.9170137	1.5966740	1.1499531	0.9777731	0.9567806	1.3927533	1.2350972	0.5920365	0.9995949	1.1306728	0.6459593	0.6510452	1.3680270	1.1594976	0.3651090	0.9095017	0.5705897	1.3448835	0.5523833	1.1276930	0.8111144	0.6371315	0.8867384	0.5351527	1.0185848	0.6799869	1.2337652	0.6854375	0.5240547	1.0178307	0.6703956	0.9123435	0.7352935	0.7306422	0.6685440	0.6013121	0.9143067	0.6321481
Uridine	0.44135903	0.28333640	0.53391820	0.24704227	0.87410230	1.63253549	0.22468705	0.33058093	0.09388867	0.76063393	0.15572130	0.19627104	0.07174704	0.96206724	0.34281819	1.58153848	0.26289840	0.23216254	0.64967668	1.80970696	1.04193700	1.71725873	1.19467403	1.99979214	1.79469343	2.53053434	1.30468595	1.46068773	1.42832022	0.80523961	1.36863562	0.91665549	1.73386356	1.60605572	0.98603715	0.19771837	1.16655407	1.00750754	1.88463622	0.84695533	0.83182848	0.74322380	0.67324931	0.92854596
Xanthurenate	1.1499559	0.7909336	0.3201423	1.0603477	0.8352670	1.2079538	0.9162124	0.6074900	0.4837157	0.9423996	0.7596219	0.6978112	0.6503541	0.5196060	0.6120160	0.8458762	1.0739344	1.0427840	0.4763287	1.0992134	1.0492166	1.0590342	0.8993609	1.5049623	1.3617107	1.5698830	0.8251036	1.2741083	1.1245519	1.0970077	0.9951173	1.4571726	0.7099524	0.6461209	1.1650102	0.9157500	1.1444570	1.1791962	0.9864452	0.7277648	1.0989355	1.4664682	1.5285765	1.0218518
Xanthine	2.5906786	1.5469835	0.3228663	0.3260112	2.4315187	1.9474433	0.3935067	0.5255360	0.1251650	0.7158526	0.2755993	0.5370827	0.1012126	0.7020276	1.4516372	0.4612712	0.1511893	0.4783477	0.4150382	1.1275146	0.2682674	0.4709958	1.2907829	0.7065725	0.4504405	0.8096344	1.0988884	0.6051322	5.7199010	0.6620007	0.4993419	3.5173057	0.5004581	0.7061684	5.0967441	0.3001965	0.4853367	0.5195670	1.1020475	1.3990202	0.2312091	1.1852344	0.3764322	0.4191965
Xanthosine	0.9502709	0.6285012	0.3248412	0.6928203	0.4109066	1.4431477	0.3228868	0.1205351	0.2295805	0.5662076	0.1726814	0.2926670	0.1867893	0.9743649	1.0060672	1.2013171	0.5799954	0.4432967	0.6841836	1.0147145	0.5198420	0.8887402	2.4113118	1.0578270	1.5163097	1.8627778	0.9886604	2.2790277	2.1491563	0.8168303	1.2229646	2.4938376	2.2807357	2.9145373	1.2234835	0.2920670	0.8522620	1.2380926	2.3503327	2.4501758	0.4081861	0.7475027	0.2301556	0.7424564

metabolite_name	Ionization mode	Q1 Mass (Da)	Q3 Mass (Da)	DP (volts)	EP (volts)	CE (volts)	CXP (volts)
2-hydroxy-2-methylbutyrate	-	146.993	100.9	-55	-10	-20	-13
2-hydroxyglutarate	-	146.957	128.8	-55	-10	-18	-7
2-methylacetoacetate	-	99	71	-30	-10	-16	-19
3-methyl-2-oxobutyrate	-	114.985	70.9	-40	-10	-14	-9
3-methyl-4-hydroxyphenylglycine	-	182.983	149.9	-20	-10	-20	-25
3-phosphoglycerate	-	184.885	78.7	-125	-10	-56	-39
4-hydroxyphenylacetate	-	150.99	106.9	-20	-10	-14	-17
5-hydroxyindoleacetic acid	-	190.952	146.8	-35	-10	-18	-21
Acetoacetic-acid	-	135.913	91.8	-50	-10	-22	-27
Acetyl-coA	-	808.099	79.1	-135	-10	-130	-41
ADP	-	425.576	78.6	-105	-10	-102	-29
Argininosuccinate	-	289.046	271	-75	-10	-18	-19
ATP	-	505.894	78.9	-115	-10	-122	-9
Biotin	-	242.991	42.2	-50	-10	-56	-7
cAMP	-	327.982	134.2	-60	-10	-46	-13
Cholesterol-sulfate	-	465.163	96.7	-220	-10	-94	-31
Citraconic-acid	-	128.959	85	-5	-10	-16	-11
Deoxycholic-Acid	-	391.225	345.1	-150	-10	-48	-19
Deoxyribose-5-phosphate	-	212.933	79	-115	-10	-58	-9
D-erythrose-4-phosphate	-	198.852	97	-50	-10	-16	-3
Fructose-1-6-bisphosphate	-	338.925	78.8	-55	-10	-92	-9
Fructose-6-phosphate	-	259.089	78.7	-65	-10	-84	-11
Glyceraldehyde-3-phosphate	-	168.879	78.9	-5	-10	-40	-15
Guanidoacetate	-	116	74.3	-25	-10	-16	-11
Glucose	-	179.037	32	-45	-10	-26	-15
Glucose-6-phosphate	-	258.988	78.9	-75	-10	-80	-9
Glyceraldehyde	-	89	59	-25	-10	-10	-5
Glutathione-oxidized-GSSG-	-	611.072	306.1	-85	-10	-36	-17
Homocysteate	-	181.944	79.8	-70	-10	-38	-13
Hydroxyisocaproate	-	131.011	84.9	-65	-10	-22	-9
Hypoxanthine	-	134.971	91.8	-5	-10	-24	-11
Inosine	-	267.022	135.1	-40	-10	-36	-21
Isocitrate	-	190.913	72.9	-35	-10	-36	-35
Kynurenic-acid	-	187.975	144	-105	-10	-24	-15
Kynurenine	-	207.012	190	-50	-10	-12	-27
Lactate	-	88.83	42.94	-34	-10	-17	-11
Malonate	-	102.945	59	-15	-10	-14	-15
Malonyl-coA	-	852.062	78.9	-135	-10	-128	-9
Mevalonate	-	147.187	59.1	-40	-10	-20	-9
N-Acetyl-L-Alanine	-	130.005	88	-30	-10	-16	-15
N-carbomyl-aspartate	-	174.999	131.8	-45	-10	-18	-7
Niacinamide	-	120.712	42.2	-30	-10	-70	-9
Oxaloacetate	-	130.974	86.9	-40	-10	-16	-13
p-aminobenzoate-p-AB	-	135.974	92.2	-80	-10	-16	-11
Phenyllactic	-	165.129	147.1	-40	-10	-18	-11
Phenylpyruvate	-	163.123	91.1	-30	-10	-16	-1
Pyroglutamic-acid	-	127.947	82.2	-40	-10	-22	-11
Pyruvate	-	87	43	-25	-10	-16	-11
Quercetin	-	300.924	151	-80	-10	-34	-25
Riboflavin-5-MonoPhosphate	-	454.988	96.8	-90	-10	-46	-15
S-adenosyl-L-homocysteine	-	383.063	133.9	-40	-10	-40	-21
Succinate	-	116.72	72.98	-24	-10	-17	-10
Taurine	-	124	80	-50	-10	-22	-55
Taurodeoxycholate	-	497.727	79.8	-280	-10	-108	-25
Thymidine	-	241.037	42.1	-80	-10	-60	-11
Thiamine-Pyrophosphate	-	423.946	78.9	-50	-10	-80	-9
Tropisetron	-	283.094	182.9	-135	-10	-44	-29
Uridine-5-diphosphate	-	402.972	79	-100	-10	-30	-15
Uracil	-	111.05	42.1	-35	-10	-24	-11
Ureidopropionic-acid	-	130.996	87.9	-40	-10	-14	-11
Uridine	-	242.949	42.1	-75	-10	-44	-9
Xanthurenate	-	203.939	159.8	-50	-10	-22	-19
Xanthine	-	150.961	107.9	-20	-10	-24	-5
Xanthosine	-	282.932	150.9	-75	-10	-28	-15