Metabolite_name	RefMet_name	VM10_Adjacent_Kidney	VM13_Adjacent_Kidney	VM17_Adjacent_Kidney	VM23_Adjacent_Kidney	VM25_Adjacent_Kidney	VM26_Adjacent_Kidney	VM32_Adjacent_Kidney	VM35_Adjacent_Kidney	VM36_Adjacent_Kidney	VM38_Adjacent_Kidney	VM39_Adjacent_Kidney	VM40_Adjacent_Kidney	VM41_Adjacent_Kidney	VM47_Adjacent_Kidney	VM49_Adjacent_Kidney	VM50_Adjacent_Kidney	VM53_Adjacent_Kidney	VM54_Adjacent_Kidney	VM58_Adjacent_Kidney	VM59_Adjacent_Kidney	VM60_Adjacent_Kidney	VM63_Adjacent_Kidney	VM65_Adjacent_Kidney	VM66_Adjacent_Kidney	VM67_Adjacent_Kidney	VM09_Primary_Tumour_CCRCC	VM10_Primary_Tumour_CCRCC	VM13_Primary_Tumour_CCRCC	VM17_Primary_Tumour_CCRCC	VM21_Primary_Tumour_CCRCC	VM23_Primary_Tumour_CCRCC	VM25_Primary_Tumour_CCRCC	VM26_Primary_Tumour_CCRCC	VM32_Primary_Tumour_CCRCC	VM34_Primary_Tumour_CCRCC	VM35_Primary_Tumour_CCRCC	VM36_Primary_Tumour_CCRCC	VM38_Primary_Tumour_CCRCC	VM39_Primary_Tumour_CCRCC	VM40_Primary_Tumour_CCRCC	VM41_Primary_Tumour_CCRCC	VM46_Primary_Tumour_CCRCC	VM47_Primary_Tumour_CCRCC	VM49_Primary_Tumour_CCRCC	VM50_Primary_Tumour_CCRCC	VM53_Primary_Tumour_CCRCC	VM58_Primary_Tumour_CCRCC	VM60_Primary_Tumour_CCRCC	VM66_Primary_Tumour_CCRCC	VM67_Primary_Tumour_CCRCC	VM30_Primary_Tumour_CHROMOPHOBE	VM11_Primary_Tumour_ONCOCYTOMA	VM31_Primary_Tumour_ONCOCYTOMA	VM59_Primary_Tumour_ONCOCYTOMA	VM12_Primary_Tumour_PAPILLARY	VM14_Primary_Tumour_PAPILLARY	VM44_Primary_Tumour_PAPILLARY	VM63_Primary_Tumour_PAPILLARY	VM65_Primary_Tumour_PAPILLARY
Factors	-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Adjacent_Kidney | Diagnosis:-	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CCRCC	Sample source:Primary_Tumour | Diagnosis:CHROMOPHOBE	Sample source:Primary_Tumour | Diagnosis:ONCOCYTOMA	Sample source:Primary_Tumour | Diagnosis:ONCOCYTOMA	Sample source:Primary_Tumour | Diagnosis:ONCOCYTOMA	Sample source:Primary_Tumour | Diagnosis:PAPILLARY	Sample source:Primary_Tumour | Diagnosis:PAPILLARY	Sample source:Primary_Tumour | Diagnosis:PAPILLARY	Sample source:Primary_Tumour | Diagnosis:PAPILLARY	Sample source:Primary_Tumour | Diagnosis:PAPILLARY
10-hydroxy-2-decenoic acid		3.4433	3.2447	3.2463	3.3481	3.3147	3.1977	3.6317	3.1634	3.4008	2.9299	3.5372	3.3445	3.8321	3.3760	3.7619	3.3759	3.9849	3.2386	3.6677	3.6727	3.0968	3.2468	3.2728	2.9273	3.3766	3.2084	2.8611	2.9308	2.9101	3.1877	2.9080	2.6531	3.0514	3.5783	2.8654	2.6212	2.9987	2.7515	3.2993	4.0610	3.0482	3.0854	2.6933	3.0445	2.9352	3.2556	3.5659	3.6394	3.1827	2.9951	2.8262	3.2720	2.9828	3.0952	2.9267	3.1016	3.2341	3.0130	3.2162
10-Hydroxydecanoate	10-Hydroxydecanoic acid	3.6144	3.6430	3.2602	3.8595	3.4650	3.5552	3.6212	3.5371	3.3845	3.0710	3.7660	3.6999	3.5836	3.6250	3.5222	3.7455	4.7540	3.4977	3.6861	3.5350	3.4915	3.5760	3.6201	3.2623	3.6885	4.0889	3.1489	3.4739	3.4434	3.3871	3.3094	3.0306	3.4476	3.9009	3.6306	3.3715	3.4411	3.5853	3.5160	4.6506	3.1741	3.7218	2.9242	3.3780	3.4483	3.4406	3.5779	4.0810	3.5521	3.7213	3.5426	3.8288	3.5686	3.4352	2.7263	3.4104	3.9188	3.7187	3.6839
10-undecanoate		3.6431	3.3399	3.0627	3.4571	2.8633	3.2496	3.6959	2.9672	2.9876	3.0909	3.1493	3.3178	3.1733	3.1616	4.1580	3.2657	3.9557	3.2035	3.4613	3.4311	3.7021	3.6395	3.1129	3.5225	2.9034	3.7308	3.3476	2.9830	3.2043	3.4714	2.8023	3.0628	3.6825	4.0736	3.0422	2.7737	3.0872	2.5315	3.2120	4.1648	3.2790	3.2977	2.8879	3.7450	3.2574	3.5062	3.2598	3.6843	3.4962	3.3308	3.1671	3.3846	3.1894	3.1931	3.1155	3.3382	3.2827	3.4255	3.4099
1-Aminocyclopropanecarboxylate	1-Aminocyclopropanecarboxylic acid	3.6872	3.9826	3.7265	3.7241	3.7060	3.5358	3.8308	3.6907	3.8433	3.6847	3.6267	3.8183	3.7775	3.5608	3.8891	3.7481	3.9740	3.6853	3.9339	3.7064	3.7922	3.6656	3.6733	3.9133	3.7621	3.6524	3.8151	3.6701	3.8005	3.7262	3.5689	3.9741	3.7544	3.7313	3.8778	3.8040	3.7370	4.0101	3.8206	4.0379	3.6681	3.8251	3.7947	3.9359	3.7049	3.7660	3.7540	3.9753	3.7806	3.8027	3.7177	3.7624	3.6660	3.7611	3.8371	4.0276	3.8608	3.7901	3.6670
1-Methylhistidine	1-Methylhistidine	4.3541	4.3280	4.2411	4.8505	4.5894	4.4772	4.3533	4.9474	4.5590	4.3118	4.3742	4.2409	4.0805	4.5677	4.3225	4.3717	4.4192	4.6659	4.3105	4.1473	4.2815	4.1685	4.6910	4.4245	4.2186	4.2398	4.3689	4.1562	3.7976	4.1260	4.5027	4.1073	4.0189	4.0311	4.5243	4.0925	4.2172	4.2462	3.9410	4.6333	4.0418	4.0818	4.4539	3.9058	4.3936	3.8088	4.3345	4.7917	4.2853	3.7108	3.9616	4.6159	4.3603	3.8160	4.2044	4.0811	4.6833	4.3624	4.3511
2_3-Dihydroxybenzoate	2-Pyrocatechuic acid	3.2874	3.4541	3.2891	3.5287	3.2356	3.1656	4.4449	3.1695	3.4841	3.7853	3.1823	3.1318	3.2312	3.2746	3.1913	3.2990	3.9716	3.1790	3.8520	3.2491	3.2678	2.7782	3.3556	2.8559	3.3842	3.0422	2.7880	3.3421	2.8828	3.2398	3.1027	2.9136	2.9589	3.9339	3.4613	3.5009	3.5728	3.1954	2.9776	3.9194	3.0930	3.1374	2.6228	2.4835	2.8815	2.8311	3.6756	3.8371	3.0436	2.8881	3.3477	3.3325	3.1228	2.9562	3.2518	2.4397	3.0481	3.0886	3.4585
2^_4^-Dihydroxyacetophenone	2',4'-Dihydroxyacetophenone	3.2999	3.5257	3.1202	3.6559	3.3544	3.4451	3.5650	4.1731	3.3048	3.3507	3.2273	3.1325	3.4939	3.0903	3.7705	3.3018	4.0488	3.1101	3.9294	3.1744	2.9675	3.0428	3.4471	2.9792	3.7065	3.4260	2.6637	3.0090	3.1957	3.3615	3.0156	3.0266	3.0615	3.4455	3.2785	3.3845	3.3114	3.0174	2.8005	4.0113	3.0692	3.2436	2.5084	2.7838	3.0474	2.8694	3.4293	3.8693	3.1827	3.4167	3.1830	3.6812	3.4119	2.8862	3.1166	2.7114	3.3454	3.2024	3.4967
2_4-Dihydroxypteridine	Lumazine	3.1743	3.4855	2.9765	3.4053	3.2168	3.1865	3.1370	3.1966	3.4031	4.8063	3.2810	3.3262	2.9425	3.0162	3.1954	3.2616	3.7971	3.2965	5.0138	2.9950	4.0390	3.2811	3.3401	3.1778	3.2046	3.3327	3.0610	3.0234	2.9732	2.8736	2.7762	3.4983	3.1576	3.3531	3.2332	2.8190	3.0771	3.0663	2.9901	4.0368	2.6792	2.9834	2.7391	2.9380	3.0837	2.9656	5.0432	3.8075	3.1575	3.1899	3.0228	3.6005	3.3004	2.8583	4.6048	3.0020	3.4991	3.1435	3.3559
2_5-Dihydroxybenzoate	Gentisic acid	3.0513	3.3120	3.4892	3.2069	3.5025	3.3862	4.5617	3.7459	3.4886	3.7471	3.6479	3.8593	3.2294	3.7189	3.2580	3.1400	3.8559	3.1572	3.8120	3.1149	3.4468	2.6579	3.2721	2.6052	3.5136	2.8964	2.7341	3.0956	2.6411	2.8973	3.1301	2.7443	2.8801	3.4539	3.3324	3.3023	3.5877	3.0939	2.8114	3.7897	2.9888	3.0389	2.5851	2.6829	2.5882	2.6259	3.5308	3.6482	2.9343	2.8852	2.9613	3.1805	3.2148	2.6017	3.0881	2.3218	2.8513	3.0719	3.4463
2-Aminooctanoate	2-Aminocaprylic acid	3.1726	2.3585	3.5991	3.4827	3.4195	3.8240	3.4618	3.4422	3.0412	3.4569	3.4441	2.8688	3.6613	3.9051	3.5110	3.5881	3.2680	2.5720	3.0988	3.3180	2.4384	3.1278	3.5452	2.4480	3.4885	3.0069	1.8861	2.6461	2.4894	3.0436	3.3388	2.6773	3.0824	2.9228	3.3537	3.0057	3.0200	2.5239	3.1532	3.8635	2.6378	3.0054	2.3799	2.0829	2.6537	1.7087	2.8466	3.6509	2.3402	2.5197	3.0944	3.2641	3.3780	2.7334	2.4861	1.7068	2.8755	3.4706	3.5330
2-Aminophenol	2-Aminophenol	2.6722	2.9987	2.8397	2.9244	2.9945	2.8673	2.8804	2.5827	2.9515	3.4057	3.0602	2.8562	2.5998	2.6713	2.8481	2.7451	3.2187	2.6909	3.3467	2.4574	2.8858	2.7351	2.4650	2.3929	2.4463	2.7857	2.7492	2.6284	2.3897	2.5673	2.6710	2.7016	2.5915	2.8568	2.6556	2.7525	2.7481	2.5952	2.6906	3.4427	2.5308	2.7603	2.6042	2.6878	2.4918	2.6175	3.2182	3.0820	2.7985	2.7712	2.8441	2.8051	2.9175	2.4819	3.0679	2.4098	2.5127	2.6002	2.8008
2-Ethyl-2-hydroxybutanoate		3.8608	4.0359	4.1846	4.3118	4.0551	4.2095	4.0341	4.2350	4.2376	4.1013	4.4419	4.5204	4.5458	4.3280	4.3038	4.2573	4.7753	4.2193	4.5515	4.6193	4.1407	3.9007	4.2610	3.8855	4.2443	3.7632	3.1793	4.4500	2.9486	4.2049	4.1775	3.3078	3.7636	3.4911	3.9364	3.9585	3.8859	4.3166	3.9037	4.6174	4.2425	4.0549	3.3096	3.3441	3.6291	3.2203	4.0461	4.4473	3.3532	3.4056	3.9517	3.8962	3.8889	3.7453	3.7534	2.9285	3.7360	4.1032	4.3856
2-Hydroxy-4-(methylthio)butanoate	2-Hydroxy-4-(methylthio)butanoic acid	3.3322	3.6323	3.1773	4.0135	3.4527	3.4899	3.7565	3.7366	3.5922	4.5976	3.4789	3.9254	3.4820	3.3126	3.7271	3.6790	4.0526	3.6914	4.4578	3.5917	4.2562	3.5999	3.2985	3.5186	3.3885	3.4139	2.9043	4.0489	3.3947	3.4200	3.4184	3.5540	3.3315	3.3583	3.8693	3.6590	3.6163	3.0731	3.7740	4.9055	2.9468	3.5062	2.5728	3.4681	3.2231	3.5039	3.7985	4.0386	3.9782	3.7090	3.4728	3.7683	3.1541	3.2541	3.5858	2.9618	3.4236	3.4378	3.5816
2-Hydroxybutyrate	2-Hydroxybutyric acid	5.7128	5.5270	5.6503	6.3729	5.2302	5.7785	5.3123	5.5877	5.7823	6.0510	5.6945	5.7399	5.3454	5.4793	5.4090	5.6961	6.2347	5.5233	6.3311	5.8482	6.1670	5.9978	5.6412	5.3590	5.1476	6.3481	5.9713	5.7714	6.0151	5.2231	5.7359	6.1319	6.0722	6.1885	5.9873	5.8363	5.5946	5.3141	5.9734	6.9289	5.3389	5.7821	5.5373	5.4374	5.8662	6.2655	6.6618	6.1462	6.1958	5.4986	5.8779	6.1461	5.6565	5.6721	6.3079	5.8043	5.7283	6.1053	6.3509
2-Hydroxyglutarate	2-Hydroxyglutaric acid	5.0915	5.3517	4.7101	5.8507	4.7278	4.6774	4.6169	4.9434	4.7993	4.4915	4.8866	4.9237	4.9712	4.6248	5.3058	4.8995	5.1478	5.2875	5.0522	4.8699	5.1217	4.8521	4.6059	5.2279	4.6477	5.7670	5.1442	5.4510	5.2577	5.6057	5.2875	5.2631	5.4479	5.4002	5.6314	5.7349	5.1846	5.3000	5.2558	5.8424	5.5746	5.5431	5.4420	5.3069	5.5209	5.1984	5.6985	5.9959	5.4593	5.5470	5.0969	5.1973	4.8503	5.6474	4.5951	5.7194	5.2810	5.1592	5.5885
2-Hydroxyhexadecanoate	2-Hydroxypalmitic acid	3.6919	3.6697	3.4452	3.9022	3.4587	3.6932	3.7599	3.5284	3.8633	3.1646	3.4941	3.7127	3.2547	3.4495	3.9907	3.5367	4.4076	3.3361	3.6403	3.7072	3.7626	3.8546	3.6398	3.9705	3.4609	4.5679	4.2578	3.4113	3.6886	3.4052	3.2143	3.4914	4.5780	4.4583	3.6466	3.3829	3.5117	3.4916	4.2043	4.9270	3.3160	3.7978	3.9957	4.3809	3.6766	4.0013	3.4010	4.1579	4.2937	3.7340	3.5249	4.2099	3.5921	3.5635	2.8578	4.1230	4.0170	3.6887	3.7681
2-Hydroxypyridine	2-Hydroxypyridine	3.5560	3.8851	3.2249	3.8275	3.5190	3.6083	3.4546	3.5270	3.6981	3.9313	3.5746	3.4643	3.2255	3.3017	3.2160	3.4282	4.1559	3.5409	3.6132	3.3261	3.3864	3.3021	3.7244	3.4186	3.5996	3.7880	3.2975	3.3139	3.5138	3.3617	3.4529	3.4901	3.5821	4.4183	3.4660	3.1183	3.5104	3.3830	3.7088	4.3327	3.2920	3.5026	4.3316	3.3766	3.3047	3.4742	3.4878	4.1452	3.4195	3.5944	3.4677	3.7087	3.5196	3.3244	3.3741	3.4526	3.7123	3.5129	3.6096
2-Hydroxytetradecanoate		3.0926	3.1583	2.8027	3.2071	2.9057	3.0768	2.8328	2.9089	3.0462	2.6069	2.8907	2.8347	2.6856	2.7812	3.1957	2.9796	3.9732	2.9269	3.2825	2.7997	2.1470	3.1017	3.0345	3.1146	2.9499	3.7140	3.4395	3.0741	3.0489	2.7719	2.5754	2.6478	3.7652	3.9260	3.0252	2.7690	2.8693	2.7968	3.3958	3.8279	2.7388	3.0254	3.4165	3.3252	3.0456	3.6389	2.4898	3.5279	3.6751	3.1787	2.9701	3.4347	2.9964	2.8319	2.4845	3.5250	3.4282	2.7925	3.4018
2-Isopropylmalate	2-Isopropylmalic acid	4.7712	5.0603	3.9867	3.5681	3.7865	4.3757	4.1557	4.0168	3.3462	3.7833	3.5878	4.2685	4.1009	4.1272	4.1347	4.5303	4.1375	4.9559	6.6504	4.2355	3.7320	4.3347	3.6086	3.7549	3.8654	4.0599	5.0367	3.2694	3.4129	2.9487	3.2574	3.1166	3.6727	3.9834	3.3516	3.2249	3.0387	2.9747	3.4097	4.7606	2.9337	3.6911	3.2282	3.2812	3.4538	3.5749	6.6681	4.1243	3.5142	3.5296	3.3728	3.5937	4.3133	3.0935	3.3032	3.1162	3.6764	3.2565	3.4001
2-Ketohexanoic		3.8424	4.2332	3.7912	4.1907	3.9235	3.8613	3.8331	3.9101	4.0559	4.0661	3.7454	3.9752	3.7802	3.7130	3.9799	3.9326	4.5258	3.9802	4.0304	4.0172	3.5500	3.8865	3.9392	3.4924	3.9168	3.9826	3.3813	3.7246	3.4110	3.7785	3.5616	4.0288	3.5882	3.7880	3.9070	3.7652	3.7537	3.4809	3.5909	4.6087	3.6934	3.6038	3.3666	3.4930	3.6203	3.5006	3.7049	4.5076	3.5172	3.9153	3.8285	4.2907	3.9250	3.5479	3.5115	2.9578	4.2002	3.8901	4.2664
2-Octenoylcarnitine	CAR 8:1(2)	5.2647	5.9131	5.3431	4.8482	5.8777	4.8480	4.9049	4.7018	4.6712	5.7936	5.2266	4.8380	5.4403	5.2499	5.1790	5.1007	4.5827	5.1563	4.2420	4.9552	4.4642	4.9990	4.7985	4.1586	5.3318	4.1830	3.3827	6.0290	5.1489	7.1790	4.6910	6.1924	3.9584	4.7376	4.5079	5.7622	6.1115	6.3185	4.4407	5.3619	5.6599	5.9869	3.9422	5.4228	5.8131	4.3866	4.0676	4.8570	4.3713	4.2294	6.0947	5.2323	5.2763	5.5607	5.3220	4.7168	4.1510	6.1133	5.8605
2-Propenoate	Acrylic acid	2.3585	3.0602	2.9126	2.8193	2.5163	2.6750	2.4289	2.5419	2.6558	3.1801	2.6325	2.5954	2.4615	2.4945	2.4472	2.5090	3.3939	2.5795	3.5619	2.4431	2.8245	2.6277	2.6192	2.4574	2.5420	2.6773	2.4864	2.4495	2.5434	2.3940	2.4895	2.4362	2.7263	2.8266	2.4727	2.3552	2.6349	2.5165	2.4067	2.9355	2.3847	2.2080	2.2981	2.4989	2.5647	2.6001	3.0796	2.9920	2.7049	2.4817	2.0016	2.5881	2.6861	2.6682	2.8677	2.6241	2.6656	2.1304	2.3518
2-Quinolinecarboxylate	Quinaldic acid	2.9391	3.6343	2.8178	3.1467	2.6202	3.2098	2.8442	3.2141	3.0012	3.0570	3.0001	3.0288	2.6286	2.7134	3.9912	3.0425	3.0701	3.1120	2.8023	2.8714	2.9830	2.7136	3.0316	2.5350	2.7807	2.4768	1.6658	2.4664	2.4032	2.5737	2.5382	2.4093	2.5662	2.6161	2.7543	2.4910	2.4379	2.4016	2.7589	3.5508	2.6125	2.3090	1.9854	1.7978	2.3480	1.9297	2.4845	3.3260	2.2146	2.3776	2.3796	2.3416	3.2072	1.9236	2.2839	1.6810	2.5483	2.6390	3.1453
3-(2-Hydroxyphenyl)propanoate	3-(2-Hydroxyphenyl)propanoic acid	3.6634	4.5767	4.2088	5.4063	4.7352	4.3903	4.1334	4.0254	4.0279	3.7270	4.1124	4.6614	4.1754	4.2775	3.8984	4.2522	4.8338	4.1312	4.0180	4.4716	4.6475	4.1852	4.0321	3.7803	4.5050	3.7207	3.2478	4.8181	4.2515	4.2459	4.5621	4.2779	3.5198	4.2317	5.2101	4.3371	4.4780	3.8133	3.4927	6.2937	4.0028	4.0314	3.2661	3.4167	3.7503	4.2585	4.0162	5.3530	4.3747	4.1573	3.9062	4.2375	4.2936	4.2952	3.7220	3.7231	3.7253	4.1008	4.4816
3-(3_4_5-Trimethoxyphenyl)propionate		3.7455	3.6695	3.2491	3.8488	3.3951	3.6198	3.5001	3.6192	3.5273	3.7628	3.7722	3.7227	3.5394	3.7554	4.1546	3.4162	4.3831	3.9701	4.4564	3.7428	3.7813	3.6620	3.6593	3.3206	3.6407	3.6669	3.3482	3.2756	3.4627	3.2280	3.2900	3.3009	3.5350	3.9413	3.4295	3.1900	3.2815	3.3741	3.5550	4.3190	3.2346	3.4196	3.1463	3.4249	3.5015	3.8070	4.1492	4.0787	3.6663	3.4366	3.3528	4.0038	3.4336	3.3740	3.5864	3.2766	3.4959	3.6033	3.7499
3_3-Dimethylglutarate		4.6966	4.9725	4.3486	4.4863	4.7041	4.6639	4.5348	4.6968	4.2681	4.2049	4.5013	4.6038	4.5061	4.6993	4.8686	4.7348	5.1959	4.8918	4.2655	4.5234	4.7618	4.4933	4.3905	4.0392	4.6014	4.2351	3.4072	4.7245	3.5482	4.0627	4.1150	3.3448	4.0248	4.0053	4.1861	3.9898	4.0842	3.9257	3.8784	5.0615	4.0642	3.9697	3.4514	3.5453	3.7534	3.5192	3.8942	4.6720	3.6727	3.7744	4.0061	4.3266	4.5200	3.7221	3.5258	2.9604	4.2404	4.2196	4.4471
3_4_5-Trimethoxycinnamate	3,4,5-Trimethoxycinnamic acid	3.7442	3.7307	3.4369	3.8235	3.7435	3.5223	3.5614	3.5128	3.9033	4.1881	3.3604	3.5701	3.7329	3.5756	3.4074	3.7176	4.6157	3.3315	4.6462	3.4648	3.5774	3.4293	3.9963	3.3408	3.8728	3.8948	3.4123	3.6121	3.7357	3.5443	3.3973	3.3515	3.6094	3.7423	3.7899	3.5063	3.7370	3.6280	3.4119	4.4655	3.5361	3.5318	3.2152	3.5754	3.7043	3.7809	4.2493	4.4568	3.7150	3.9049	3.4652	4.2118	3.6981	3.4422	3.9600	3.4382	4.0019	3.5446	3.9184
3_4-Dihydroxybenzoate	Protocatechuic acid	3.6814	4.8221	3.6527	3.8578	3.5854	3.7736	3.6754	3.9701	3.7369	4.1530	4.0293	3.9694	3.4675	3.3459	3.4835	3.6289	4.3821	4.2723	4.4203	3.7658	3.8724	3.4860	3.6454	3.1193	3.7780	3.5843	3.1717	3.4046	3.3873	3.2868	3.4009	3.6954	3.2897	3.4084	3.6370	3.3343	3.3240	3.1687	3.4390	4.4534	3.3820	3.2592	3.2575	3.2013	3.2532	3.0722	4.1519	3.9322	3.2388	3.6039	3.4454	3.7663	3.6096	2.9019	3.7323	2.8571	3.6600	3.4704	3.7951
3_4-Dihydroxyphenylacetate	3,4-Dihydroxybenzeneacetic acid	3.5471	5.5818	3.5162	3.4913	3.7975	3.6640	3.4562	3.6972	3.5862	4.0307	3.7474	3.7353	3.6602	3.6220	3.3786	3.7689	4.2242	3.8778	4.2945	3.4644	3.6168	3.5306	3.7942	3.0576	3.7802	3.2812	3.2149	3.7119	3.0415	3.4640	3.3450	3.0757	3.1415	3.2575	3.6054	3.0538	3.4865	3.0335	3.1993	4.2024	3.2026	3.3442	2.9854	3.0974	3.1829	3.0683	3.9448	4.0031	3.1261	3.3590	3.0806	3.7585	3.4836	2.8584	3.8058	2.7986	3.6040	3.4300	3.5247
3_4-Dihydroxyphenylglycol	3,4-Dihydroxyphenylglycol	2.9686	3.2119	3.2549	2.9375	2.9036	3.0117	2.8363	3.0597	2.9523	3.7278	3.5732	3.3274	3.2996	2.7131	3.1067	3.1042	3.5924	3.1089	3.8452	3.1473	3.3304	2.7249	2.9189	3.1918	2.7951	3.1954	2.8622	2.4551	2.9032	2.2568	2.6792	2.8802	2.8273	3.1819	3.1320	2.4655	2.7841	2.5219	2.7247	3.7080	2.3544	2.6941	3.1072	2.9640	2.8616	2.8059	3.7105	3.1580	2.9506	3.0078	2.3577	3.0932	3.4320	2.4617	3.7854	2.7082	3.1442	2.4557	3.2854
3-(4-Hydroxyphenyl)pyruvate	4-Hydroxyphenylpyruvic acid	4.1503	4.8027	4.3701	6.0996	4.5489	4.3597	4.4616	4.6725	4.5302	4.5764	4.6299	4.8354	4.5623	4.3446	4.3248	4.2528	5.5773	4.9679	4.7820	4.5775	4.2558	4.4967	4.6261	4.0166	4.6534	4.4785	4.1012	4.0238	4.3658	4.0886	4.5932	4.4303	3.6409	4.5956	5.6991	4.5542	4.7948	4.5148	3.7997	5.9605	4.1004	4.1981	4.6992	4.0446	4.3554	4.5392	4.3891	5.5945	4.6302	4.6355	4.3439	5.0275	4.4055	4.6177	3.9191	4.0667	4.5920	4.5010	4.9465
3-Dehydroshikimate	3-Dehydroshikimate	4.6982	4.6887	4.0584	4.8339	4.2781	4.4513	3.9175	4.1616	4.5394	5.5321	3.9258	4.5750	4.0989	3.7687	3.5874	4.1231	5.0627	3.9795	4.8932	4.1562	4.8720	4.3137	4.5415	3.9352	4.1059	5.0079	4.2987	4.5069	4.1070	3.6895	3.9376	3.7921	4.6497	4.4161	4.4785	3.5802	4.2166	3.8984	4.0552	5.8622	3.7999	4.3451	3.8521	4.7617	3.9550	4.4143	4.8755	5.5043	4.7182	3.8386	4.2877	5.1503	4.0783	3.7045	4.3212	3.7544	4.6232	4.6569	4.6056
3-Hydroxyanthranilate	3-Hydroxyanthranilic acid	3.2788	3.5594	3.0515	3.2205	2.9297	3.1242	3.2559	3.2060	3.0430	3.9567	3.3720	3.3165	3.2773	3.0622	3.1762	3.1514	3.7049	3.9920	4.2483	3.3242	3.1155	3.1542	3.0388	2.8272	3.2715	3.3366	2.8704	3.2914	3.1361	2.8051	3.7133	3.2553	2.7560	3.1825	4.0544	3.2031	4.0153	2.6149	3.2294	4.0172	2.9575	3.0126	2.9212	2.9653	3.0119	2.8930	3.9729	3.3133	2.9600	3.1780	3.0338	3.4960	3.4505	2.8308	3.3576	2.6295	3.2621	2.8973	3.1592
3-Hydroxybenzaldehyde	3-Hydroxybenzaldehyde	3.3274	4.2481	3.6818	3.6144	3.9503	3.7857	3.6813	3.4964	3.6324	5.1739	3.6157	4.2509	3.5780	3.4164	3.3369	3.5714	4.2635	3.9745	4.5070	4.1348	3.9926	3.6033	3.6587	3.1721	3.6828	4.3924	3.3057	3.3841	3.4306	3.2043	3.3301	3.6492	3.4077	3.7100	4.0275	3.1306	3.3235	3.0939	3.3629	4.6534	3.2077	3.3192	3.2180	3.1857	3.1253	3.3194	4.2772	4.0406	3.2811	3.6556	3.2848	3.9719	3.9462	3.2596	3.7428	3.0188	3.7202	3.4126	3.6950
3-Hydroxybenzenemethanol	3-Hydroxybenzyl alcohol	3.0335	3.5230	3.1304	3.6930	3.4233	3.4762	3.0100	3.3503	3.4103	3.5829	3.6026	3.2071	3.0830	3.1361	2.8247	3.3843	4.2144	3.1560	3.1216	2.9444	2.8263	2.8496	3.5512	2.4031	3.5089	3.2700	2.1843	3.2488	2.6372	3.0567	3.2494	2.9901	2.5572	2.7450	3.4062	3.1069	2.9770	2.8949	3.1072	4.0951	3.2640	2.7573	2.3433	2.2179	2.8238	1.6453	2.3483	4.1582	2.0987	3.0392	3.2642	3.7349	3.4174	2.3257	2.4476	1.6243	3.5924	3.5032	3.6462
3-Hydroxydodecanoylcarnitine	CAR 12:0;OH	4.6330	4.1437	3.9340	3.9725	3.7406	3.6701	3.6619	4.0916	4.3056	4.8773	4.3829	4.4624	4.1812	3.9584	4.4342	3.9815	3.6155	4.6743	4.5082	4.4093	4.4869	4.0465	3.3085	4.1772	4.2117	3.7433	4.1566	4.1114	4.2577	5.1930	4.3207	5.1044	4.2332	3.4818	4.2484	4.1211	3.8730	5.8616	4.5888	4.6549	4.3726	4.6088	3.7800	5.2457	4.7578	4.0240	4.1849	3.9360	4.6583	3.9722	4.1800	3.9080	4.0250	5.2864	5.0030	4.4774	4.2094	4.8248	4.7498
3-Hydroxyhexadecanoylcarnitine	CAR 16:0;3OH	3.6776	3.6494	2.9168	3.1700	2.8229	2.9068	2.8532	2.9096	3.7246	4.0684	3.3364	3.9035	3.1170	3.3429	4.6195	3.2178	3.5065	3.5757	4.3011	4.1175	4.0446	3.9774	2.6768	3.7487	2.9925	3.2716	4.7769	3.0783	3.2264	3.4008	3.3289	4.1491	4.5238	3.5938	2.6042	2.9436	2.8421	4.5499	4.1498	3.8325	3.2979	3.5578	4.3838	5.5974	4.6824	4.1433	5.2256	3.1191	3.9252	3.0172	3.5508	2.9447	3.2570	4.7018	4.7418	5.1783	3.1896	3.1295	4.1879
3-Hydroxymethylglutarate	3-Hydroxymethylglutaric acid	5.1258	5.3736	4.6522	4.5386	4.2816	4.5281	4.4763	4.6238	4.2639	4.8137	4.7756	4.8139	4.4967	4.4629	5.1479	4.7983	4.7626	5.2062	5.1088	4.8552	5.4857	5.1694	4.2071	5.0183	4.3668	4.7671	4.8097	4.9875	4.7587	4.5635	4.5331	5.5626	4.6931	4.8915	4.7287	4.8981	4.6954	4.5355	4.7455	4.9377	4.3630	4.3176	4.2457	4.8040	4.6780	4.3838	5.6019	4.8103	4.9432	4.8460	4.3963	4.3367	4.4861	4.7313	5.2225	4.8142	4.1691	4.4256	5.2351
3-Hydroxyoctanoate	3-Hydroxyoctanoic acid	4.1371	5.2177	4.2667	4.7973	4.1563	4.4547	4.3321	4.9005	4.4375	3.6236	4.7974	5.3763	4.5864	4.3769	4.8181	4.6109	5.2285	4.7273	4.0451	5.7703	4.2831	4.5863	4.3341	4.0714	4.3419	4.3182	3.5502	4.5992	4.2399	4.5139	4.4567	4.2780	4.0782	4.3197	4.4219	4.3178	3.9702	5.0692	4.4653	5.2111	4.5141	4.5282	3.6286	4.4482	4.5697	4.2550	3.9744	4.9429	4.4789	4.3680	4.2982	4.5274	4.1856	5.1998	4.7438	4.1905	4.4498	4.3680	4.7061
3-Hydroxypyruvate	Hydroxypyruvic acid	4.1281	4.2061	4.1488	3.9696	3.9773	4.0876	3.9479	4.0757	4.2338	4.3861	3.9944	4.0222	4.0171	3.8367	4.0596	4.0218	4.4625	3.9991	4.5593	3.9566	3.7864	3.8252	4.6179	4.0343	4.0645	4.4953	4.1989	4.1056	4.0461	3.9493	3.8566	3.7771	3.9395	4.2846	4.3071	4.1887	4.3351	4.0930	3.7368	4.3714	4.1703	4.0038	4.0665	4.2324	4.0810	3.8959	4.2657	4.2277	4.2095	4.3336	3.9289	4.2519	4.1107	3.9021	4.0314	3.8284	4.2485	3.7897	4.1748
3-Hydroxysebacate	3-Hydroxysebacic acid	4.8255	5.2632	3.8188	3.7519	4.4082	4.4631	3.7542	4.2316	3.7039	4.1782	4.0843	4.7115	4.0166	4.2332	5.2894	4.3538	4.3698	4.7641	3.7842	4.6530	4.5114	4.2888	3.9502	4.1352	3.8276	4.2365	3.2634	3.4625	2.9878	3.9232	3.4951	2.6797	3.4654	3.4000	3.6246	3.1507	3.5591	3.7945	3.1978	4.4004	3.4600	3.4669	3.0485	3.2505	3.0743	3.2637	3.3445	4.2929	3.4954	2.9701	3.6815	3.5238	3.7937	3.3747	3.0329	2.5823	3.2494	3.7046	3.8673
3-Methoxy-4-hydroxymandelate	Vanillylmandelic acid	4.5153	5.7890	3.9817	3.8779	4.2251	4.5396	4.0323	4.7636	3.6413	5.1836	4.5222	4.7915	4.2912	4.2672	5.0400	4.6158	3.9895	5.1176	5.6093	4.5052	4.4817	4.6056	4.0471	4.4251	4.1220	3.7049	4.0954	3.5753	3.4575	3.3502	3.8616	4.4125	3.6300	4.0264	3.3880	3.3106	3.5859	3.4610	3.8129	4.2914	3.5191	3.5710	3.5273	3.5141	3.5509	3.8032	5.4978	4.0052	3.5706	3.5240	3.3937	3.4749	4.6349	3.5058	4.9614	3.4642	3.5190	3.6699	3.7137
3-Methoxytyrosine	3-Methoxytyrosine	3.3382	3.0146	3.1455	5.9436	3.3713	3.2946	3.0324	3.4100	3.5588	5.6816	3.7963	3.7062	3.3718	3.4447	3.1933	3.3542	3.8765	3.9068	3.7151	3.5373	3.7688	3.4444	3.3894	3.3829	3.3523	4.0215	3.8028	3.4361	3.4373	3.5884	5.6122	3.8802	3.5158	3.6940	3.4888	3.3305	3.5808	5.5283	4.0270	4.6656	3.1627	3.4679	3.7844	3.4696	3.6561	3.7040	3.7546	4.6246	3.8178	3.5254	3.5228	3.8252	3.2649	3.5158	3.3776	3.4569	3.5889	3.6404	3.6973
3-Methyl-2-oxovalerate	3-Methyl-2-oxovaleric acid	3.8831	3.9954	4.0686	6.0932	3.9409	4.0380	3.5767	4.2148	4.1351	3.8361	3.9609	3.9186	3.8634	3.7024	3.8332	3.7141	5.0534	3.9587	4.3708	3.8971	3.5727	4.2114	4.0301	3.4943	3.6142	4.9083	4.0571	3.6111	4.3727	3.9328	4.0185	4.0952	4.5561	4.3818	5.2531	4.1344	4.1148	3.7421	4.7787	6.6999	4.0909	4.2873	4.5437	3.8334	4.6055	4.9225	4.4149	6.0194	4.4344	4.4229	3.9696	5.0764	4.0845	3.7807	3.9866	3.8269	4.6325	4.8796	5.5335
3-Methyladenine	3-Methyladenine	4.6564	5.5703	4.1973	4.6340	4.2561	4.8045	4.5041	4.8515	4.5196	4.0646	4.6522	4.6727	4.1545	4.0675	4.5322	4.6130	4.8542	4.9206	4.8621	4.2138	4.2422	4.4264	4.8343	4.3004	4.4107	4.2768	4.0206	3.8845	4.0357	4.3634	4.2870	3.9644	4.2296	4.0933	4.3716	3.6781	4.2076	3.6401	4.4387	4.9613	4.0376	4.2561	4.0677	3.7437	3.8518	4.1852	4.8106	5.0448	4.3246	4.0887	3.9774	4.5723	4.8296	3.7923	4.1387	3.8237	4.5026	4.0104	4.1337
3-Methylglutarylcarnitine	CAR DC5:0;3Me	3.7459	3.4909	3.6183	3.3829	3.9459	3.5838	3.8521	4.0360	3.1616	3.5455	3.5349	3.3303	3.0637	3.1918	3.7527	3.7196	3.7345	3.1430	4.3100	3.3010	3.2031	3.3980	3.4106	3.3059	3.8151	3.6056	2.9673	3.4202	3.3252	4.0387	2.8864	3.4709	3.1292	3.4985	3.0149	3.6657	3.6164	3.5825	3.5858	3.8527	3.4991	3.5102	3.4565	3.4612	3.4576	2.9768	5.0625	3.7538	3.0860	3.4962	5.0204	4.2572	3.3258	4.0956	3.5573	3.6491	3.6042	4.0737	3.5328
3-Methylhistamine	3-Methylhistamine	3.6603	3.1793	2.7308	3.6075	3.5218	3.2078	3.2521	3.6294	4.6115	3.2067	3.0602	3.5212	3.2919	3.1814	2.7962	3.2577	4.6989	3.3097	3.8573	3.4846	3.0188	2.9195	3.7324	3.1947	3.6540	3.9916	3.5474	2.6968	2.8807	3.2609	3.6629	3.4788	3.5472	3.3449	3.6542	2.8691	3.0277	3.7013	3.6924	3.2707	2.6412	3.5478	4.0947	3.7457	3.9444	3.6503	3.0327	3.4114	3.1222	4.3529	4.0453	3.6232	3.8505	3.4331	3.2614	2.9314	4.4470	4.0642	3.8256
3-Nitrotyrosine	Nitrotyrosine	2.8397	3.0382	2.7569	2.9084	2.9894	2.7432	2.4304	2.5578	2.7777	3.7619	2.5556	2.5800	2.6494	2.4560	2.6517	2.8536	3.5236	2.6681	3.9185	2.8319	3.6080	2.7957	2.7720	2.6149	2.6264	2.9530	2.9622	2.9106	2.7018	2.6250	2.4905	2.8423	2.4491	2.7502	2.6536	2.5557	2.8785	2.6474	2.5234	3.4165	2.6010	2.6115	2.6174	2.6545	2.6121	2.6747	3.4362	3.5484	2.7658	3.0763	2.5198	3.1157	2.8117	2.3392	3.1584	2.3171	2.9860	2.6300	2.9991
3-Sulfinoalanine	3-Sulfino-alanine	4.2939	4.1702	4.1400	4.7358	4.0910	3.9919	3.9774	4.4580	4.7954	4.7732	4.3497	4.4017	4.1385	3.9444	4.2008	4.1981	4.8030	4.2220	4.7583	4.1022	3.8140	4.4504	4.1270	4.6855	4.2177	4.8996	4.6751	4.2798	4.7513	4.2644	4.1939	4.5435	4.0465	4.7253	5.3019	4.3428	4.6007	4.6017	4.1467	5.0840	4.3279	4.2723	4.4639	5.0335	4.4967	4.8245	4.6707	4.6805	5.3748	4.6960	4.2657	4.5733	4.1391	4.1771	4.0636	4.5418	4.6225	4.1756	4.5555
4-Acetamidobutanoate	4-Acetamidobutanoic acid	4.5130	4.9989	4.1133	4.4314	4.1822	4.6177	4.1372	4.5958	3.8941	3.9924	4.3793	4.5709	3.9467	4.1485	4.4209	4.6323	4.4770	5.0733	3.9059	4.4229	4.4547	4.3548	4.1586	4.0084	4.2547	3.9017	4.1777	3.8786	3.6475	3.5324	4.0949	3.4379	3.7452	4.0712	3.7171	3.4773	3.8230	3.7912	3.7979	4.8839	3.3035	3.8482	3.6536	3.9501	3.8992	3.9378	4.1608	4.5319	3.8848	3.9042	3.5784	3.9666	4.4781	3.7046	3.1949	3.8673	4.1847	3.7580	4.0703
4-Acetylbutyrate	5-Ketocaproic acid	3.7394	4.2860	3.6414	3.9391	3.7229	3.9893	3.7296	3.9172	3.7140	3.7965	3.7035	3.9451	3.7170	3.7192	3.8965	3.7910	4.4113	3.9827	3.8961	3.9631	3.2558	3.8214	3.7771	3.4550	3.6760	3.8617	3.3546	3.4482	3.3163	3.6110	3.3324	3.7232	3.4904	3.7205	3.5758	3.6441	3.4177	3.3631	3.4170	4.4799	3.5098	3.5293	3.3955	3.4122	3.3998	3.6953	3.5761	4.1729	3.4021	3.6679	3.6465	3.9548	4.1450	3.5178	3.3022	3.1016	3.9475	3.6555	3.8477
4-Coumarate	cis-p-Coumaric acid	3.1483	3.4640	3.2318	4.4908	3.5966	3.4466	3.4706	3.3640	3.2920	3.8414	3.4002	3.5006	3.3919	3.5207	3.2687	3.5251	3.9875	3.4242	4.5518	3.4015	3.4789	3.1098	3.3842	2.8735	3.2195	3.2210	3.0586	3.2385	3.1718	2.9990	3.5892	3.2202	2.8956	3.2575	4.5252	3.1811	3.6986	3.0073	2.7061	4.3683	2.9750	3.0493	2.9289	2.8758	3.0401	3.1291	4.1480	3.7824	3.0722	3.2357	3.0736	3.3989	3.1980	3.0462	3.9046	2.8397	3.2686	3.2850	3.5672
4-Guanidinobutanoate	4-Guanidinobutanoic acid	3.7053	3.6416	3.7844	3.5410	3.4759	3.7877	3.6398	3.6370	3.6469	4.5075	3.9033	3.7865	3.5743	3.7111	3.2491	3.7528	3.9043	3.7761	3.8945	3.9346	3.8844	3.6153	3.8459	3.4483	3.8639	3.6348	3.9884	3.3388	3.9956	4.0848	3.0744	4.1144	4.0155	3.5077	3.4527	3.9259	3.8164	3.6495	4.0816	3.9676	3.6015	3.7917	3.5615	3.4668	4.0212	3.7370	4.4386	4.9347	3.3078	3.6285	4.2646	3.5082	3.7859	3.2780	3.8362	4.2104	4.1231	4.1762	4.0339
4-Hydroxybenzaldehyde	4-Hydroxybenzaldehyde	4.1223	4.7699	4.3455	6.0984	4.5359	4.3194	4.3188	4.6584	4.5078	4.5542	4.6195	4.8231	4.5430	4.3298	4.3003	4.2229	5.5666	4.9472	4.7576	4.5667	4.2269	4.4892	4.6016	3.9983	4.6354	4.4601	4.0932	3.9932	4.3550	4.0696	4.5803	4.4132	3.6106	4.5646	5.6975	4.5453	4.7868	4.4965	3.7847	5.9556	4.0794	4.1837	4.6936	4.0315	4.3477	4.5275	4.3625	5.5890	4.6213	4.6172	4.3275	5.0210	4.3917	4.6009	3.8879	4.0572	4.5694	4.4817	4.9369
4-Hydroxybenzoate	4-Hydroxybenzoic acid	3.9712	4.4410	3.9700	4.6667	4.2845	4.3638	4.6433	4.3195	4.2403	4.4066	4.2838	4.4076	4.2256	4.0854	4.2244	4.1958	4.8984	4.4071	4.3259	4.0544	3.8583	3.8858	4.3438	3.8595	4.2892	3.8844	3.3131	4.0173	3.5545	3.8710	4.3441	3.7366	3.7504	4.0665	4.9731	4.0251	4.2042	3.7523	3.6920	4.8132	3.9412	3.6874	3.7540	3.4691	3.5593	3.3371	3.9629	4.6418	3.4791	3.8875	3.7728	4.2161	4.1518	3.4199	3.6869	3.0521	4.1234	4.1045	4.3883
4-Hydroxyphenyl-2-propionate		3.6362	4.5726	4.2060	5.4062	4.7344	4.3900	4.1257	4.0216	4.0317	3.6746	4.1149	4.6615	4.1754	4.2774	3.8842	4.2536	4.8132	4.1329	4.0520	4.4704	4.6468	4.1839	4.0314	3.7796	4.5039	3.7225	3.2368	4.8179	4.2467	4.2456	4.5616	4.2771	3.5114	4.2262	5.2098	4.3370	4.4772	3.8117	3.4863	6.2936	4.0007	4.0228	3.2806	3.4024	3.7452	4.2557	3.9802	5.3501	4.3748	4.1358	3.9077	4.2343	4.2949	4.2951	3.7085	3.7239	3.7166	4.0998	4.4809
4-Hydroxyphenylglycine	4-Hydroxyphenylglycine	4.0177	4.2157	4.0582	3.2410	3.6652	3.8684	4.0444	3.4624	4.2060	3.7860	3.5805	3.6843	4.2690	4.0477	5.0077	4.1311	3.7653	3.9110	4.1789	3.9474	3.6924	3.6127	3.9129	4.6787	3.6257	3.8384	4.2145	4.7305	3.9804	4.1976	4.4637	4.0163	4.1110	3.9955	4.2383	4.5941	5.1267	4.6213	3.7947	3.9111	4.4899	4.1847	4.1579	4.3176	4.0373	3.8306	4.1482	3.8441	3.9944	4.3643	4.0169	3.7191	3.6645	4.6555	3.6351	4.1139	3.8307	3.6344	3.6236
4-Imidazoleacetate	Imidazoleacetic acid	3.3119	3.1524	2.8158	3.1498	3.4126	3.4756	3.1547	3.4837	3.1627	3.1428	3.2864	3.2865	3.4227	3.5851	3.4896	3.3285	3.5206	3.3300	2.9556	3.5468	2.9825	3.0688	3.2553	3.4040	2.8294	3.3425	3.7786	2.8423	2.9955	2.9558	2.6854	3.1335	3.4931	3.0118	2.9609	2.7913	3.0151	2.7733	3.4958	3.4204	3.0155	3.1066	3.7284	2.8001	2.8570	2.7566	3.1791	3.3415	3.0590	3.2678	3.2594	3.2299	3.2494	2.8983	3.2269	3.0407	3.4828	3.0812	3.0852
4-Methoxybenzeneacetate		3.0066	3.0847	3.0044	3.2281	3.0864	3.1216	3.0739	2.8067	3.1794	3.8303	3.0883	3.0185	3.1827	3.1241	2.7637	3.0365	3.8801	2.8999	4.2436	3.1974	3.3355	2.9948	3.1652	2.8314	3.0225	3.1880	2.9268	2.8401	2.9765	2.8496	2.7680	3.4408	2.9135	3.5361	3.0758	2.8660	2.9042	2.7148	2.8418	4.0004	3.1531	2.9313	2.8881	2.6803	2.7168	2.9074	4.0449	3.6884	3.0386	3.0529	2.8976	3.7537	2.8464	2.9117	3.5491	2.6333	3.1573	2.9462	3.2582
4-Methylcatechol	4-Methylcatechol	2.8917	3.5101	2.5940	3.2627	2.9634	2.7338	2.5052	2.7314	2.8808	4.0816	3.1064	2.8630	2.6774	2.6382	2.8919	2.6567	3.7038	3.2553	4.8148	2.7083	3.6769	2.6711	2.8573	2.5121	2.7862	2.9867	2.7148	2.5248	2.5579	2.3713	2.7154	3.3302	2.6479	3.0345	3.1576	2.4998	2.8202	2.4636	2.4853	3.4770	2.4265	2.8172	2.7762	2.5910	2.7388	2.6673	4.5633	3.1920	2.6659	2.7391	2.4847	3.0182	2.7748	2.4946	4.1554	2.5948	2.7475	2.7547	2.9397
4-Pyridoxate	4-Pyridoxic acid	5.2067	6.1733	5.0056	4.7700	5.2460	5.7958	5.3250	5.6534	4.5572	4.6490	5.5026	5.2982	5.0838	4.8844	4.9533	5.6922	4.4594	6.1613	4.5091	5.0542	4.6969	5.9557	4.6239	4.8877	4.8848	4.3433	4.6163	4.1013	4.1549	3.9802	4.8327	3.8221	5.0078	4.8499	4.2582	4.0097	4.0448	4.3613	4.5415	5.1023	4.1732	4.3997	3.9972	3.6829	4.5241	4.1855	4.9302	4.5266	4.2113	4.1099	3.7493	4.3065	5.5212	3.9286	3.9494	3.7288	4.4026	4.8044	4.1997
5-Aminolevulinate	5-Amino-levulinic acid	3.7500	3.9620	4.0517	3.9369	3.6766	3.8654	3.9504	3.8075	3.8723	5.0010	3.8446	3.8280	3.7868	3.5895	3.7480	3.8431	4.3947	3.6681	5.2274	3.9084	4.0674	3.8075	4.0849	3.8090	3.8769	4.0881	3.9724	3.7152	3.9887	3.5942	3.9587	3.6943	3.6788	4.0959	4.1652	3.8140	3.9485	3.6060	3.7432	4.6402	3.7429	3.5750	3.7057	3.9431	3.7332	3.8065	5.3329	4.5753	4.0549	4.1137	3.8702	4.2755	3.9182	3.7564	4.1608	3.8943	4.0500	3.6876	4.0865
5-Aminopentanoate	5-Aminopentanoic acid	6.1563	6.0885	6.1553	6.1125	5.9121	5.9932	5.8936	6.0585	6.1131	7.3177	6.3463	6.1899	6.1077	5.9678	6.0200	6.0973	6.1190	6.4563	6.1014	6.0057	6.8629	6.0960	5.9716	6.3025	6.1157	6.1520	6.1812	5.4479	6.6893	6.4394	5.9157	6.1517	6.0856	6.1646	6.1646	6.4985	6.2611	6.4843	6.3942	6.5442	6.2658	6.0757	6.2412	6.0816	6.2354	6.1588	6.1866	6.2371	6.0977	5.8454	6.0197	6.1704	6.1186	6.1836	6.1617	6.3711	6.4974	6.1368	6.2778
5-Deoxyadenosine		3.3720	3.2923	2.9171	3.3875	3.0864	3.0766	3.2200	3.3189	3.2158	3.3034	3.4302	3.1718	3.1729	3.0011	3.0065	3.1853	3.5819	3.3573	3.1659	3.3147	3.1487	3.5156	3.2270	3.1074	3.1795	3.8636	3.6262	2.8404	3.3069	3.0956	3.1163	3.2313	3.7329	3.8912	3.1236	2.8903	3.0397	3.4258	3.5007	3.6164	3.0335	3.4880	3.2238	3.7430	3.4037	3.8847	3.5553	3.5725	3.7628	3.4539	3.1591	3.3818	3.2655	3.5306	3.4943	3.8919	3.3123	2.9360	3.2270
5-Hydroxylysine	5-Hydroxylysine	3.3670	3.7494	3.0648	3.0397	3.3214	3.2662	3.1321	3.2115	3.0417	3.5327	3.0151	3.2165	3.3645	3.0302	3.8441	3.3442	3.4946	3.0816	3.7188	3.1240	3.0150	3.2505	3.3886	3.2458	3.5212	2.9117	3.2220	3.2390	2.9771	3.0218	3.3108	2.8666	2.9025	3.1012	2.8519	2.8027	3.0971	3.2012	2.7460	3.6690	2.7462	2.9521	3.0456	3.1009	2.9454	3.0737	3.2468	3.3827	2.9484	3.1869	2.8782	3.1258	3.0835	2.9109	3.2029	2.8916	3.2833	2.9559	2.8750
5-Hydroxytryptophan	5-Hydroxy-tryptophan	4.1425	4.6860	3.7365	4.4597	4.1856	4.2273	4.1550	4.5868	4.2230	3.8016	4.4653	4.5116	4.3152	4.1790	4.4640	4.3972	4.9048	4.8216	3.9095	4.4627	3.9360	4.3094	4.1405	4.4442	4.1013	4.3716	4.6181	4.4345	4.1367	4.3874	4.5862	4.1177	4.2446	4.3324	4.4687	4.4649	5.8796	4.6207	4.2372	5.1103	4.2646	4.1127	4.5031	4.1338	4.2066	4.5196	3.8497	4.4515	4.2011	4.3914	4.4605	4.7661	4.1266	4.4992	3.5842	4.5790	4.5125	4.5132	4.6485
5-Methoxytryptophan	5-Methoxytryptophan	3.6537	3.4025	3.0133	3.0228	2.9957	2.9585	2.9141	3.0831	2.9927	3.5194	2.8573	2.9870	2.7142	2.8468	2.8260	2.9102	3.5510	2.8939	3.8194	3.4800	3.5761	3.2705	3.0746	3.4007	2.9584	4.3880	4.4633	2.7127	2.9805	2.7632	2.7959	3.2523	3.6313	3.7840	3.0204	2.7592	2.7585	3.3441	3.2629	3.7281	2.6163	3.3200	3.3741	4.1703	3.7067	3.7689	3.5752	3.1966	4.3337	3.2170	2.7345	3.0006	2.7871	3.2348	3.1567	4.1553	2.8596	2.8048	2.7210
5-Methylcytosine	5-Methylcytosine	4.0291	4.9750	3.2071	3.9057	3.9744	4.0252	4.0892	4.0609	3.7827	3.9779	4.2091	4.0338	3.5139	3.7868	3.6843	4.0981	4.2203	4.1891	4.5907	3.9338	3.6130	3.9466	3.9767	3.5551	3.6565	3.9133	3.5736	3.4295	3.5275	4.2468	3.3940	3.1939	4.0448	3.6912	3.5899	2.7700	3.2279	3.0967	3.8048	4.6144	3.0416	3.3697	3.0161	3.3004	3.1554	3.7153	4.3918	4.0221	3.4483	3.6474	3.6856	3.6026	4.6086	3.2762	3.5058	3.4484	3.7156	3.5250	3.6526
5-Valerolactone	5-Valerolactone	2.6872	2.5247	2.7374	3.1525	2.7417	2.7796	2.6809	2.7110	2.9675	3.0779	2.6547	2.5056	2.7136	2.5492	2.5122	2.4117	4.0144	2.4487	3.8135	2.6643	2.9330	2.6157	3.0644	2.6145	2.8967	2.9896	2.9384	2.7526	2.5243	2.5038	2.5714	2.6025	2.5548	2.8278	2.9650	2.5136	2.8864	2.6175	2.6622	3.6372	2.4198	2.4284	2.8625	2.7040	2.4136	2.6204	3.6053	3.5517	2.5560	2.6647	2.5431	3.0593	2.8955	2.3786	3.4502	2.4349	3.1541	2.9567	3.0090
6-Carboxyhexanoate	Pimelic acid	4.6962	4.9729	4.3538	4.4852	4.7041	4.6619	4.5363	4.6971	4.2683	4.2114	4.5098	4.6046	4.5127	4.6991	4.8689	4.7381	5.1947	4.8962	4.2820	4.5216	4.7615	4.4923	4.3870	4.0446	4.6016	4.2399	3.4188	4.7242	3.5556	4.0602	4.1219	3.3501	4.0269	4.0120	4.2060	3.9917	4.0959	3.9268	3.8958	5.0611	4.0669	3.9711	3.4597	3.5483	3.7450	3.5290	3.9305	4.6685	3.7020	3.7856	4.0318	4.3384	4.5247	3.7294	3.5592	2.9722	4.2209	4.2204	4.4539
6-Hydroxydopamine	6-Hydroxydopamine	3.4159	3.9314	2.9953	3.4120	3.1898	3.2770	3.0879	3.6153	3.3182	3.8024	3.1494	3.4718	3.1201	2.9672	3.0555	3.5131	3.7684	3.7261	3.3409	3.0944	3.4510	3.1187	3.2757	3.2994	3.2256	3.8712	3.3408	3.0371	3.0588	3.2516	3.2327	3.2462	3.0833	3.9788	2.9340	3.1697	3.1697	3.1055	3.5028	3.8059	3.0515	3.0424	3.1016	3.0231	3.1035	2.9263	3.2968	3.4964	3.1136	3.0951	3.1480	3.4227	3.6139	3.1131	3.1180	3.2412	3.2856	2.9765	3.2892
6-Hydroxynicotinate	6-Hydroxynicotinic acid	3.5193	3.5758	2.9735	3.4311	3.0717	3.1710	3.1273	3.5833	3.3146	3.3792	3.5766	3.1974	3.1603	2.9830	2.8596	3.4477	3.4094	3.8576	2.9846	3.1856	3.2652	3.1264	2.9782	2.9175	3.2409	2.9733	3.0291	3.1910	2.9516	3.4925	3.1959	3.1751	3.0984	3.0813	2.9943	3.2065	3.3493	3.1630	3.4333	3.6256	3.1762	3.0107	3.3610	3.0916	3.2110	2.7833	3.1355	3.4886	3.0343	3.2006	3.1151	3.0731	3.1745	2.9980	2.9640	2.7202	3.1113	2.9911	2.9906
6-Phosphogluconate	6-Phosphogluconic acid	4.3410	4.0923	4.1529	4.4355	4.6954	4.2683	4.0993	4.5022	4.6902	5.0076	4.3201	4.2617	4.2666	4.1714	3.6332	4.2079	4.7794	4.4026	5.5423	3.8787	4.1614	4.0962	4.4554	3.8479	4.5658	4.8682	5.6732	5.3921	5.2944	5.4072	4.7395	4.5096	4.7293	4.2927	4.7425	6.1048	6.7886	5.8758	3.9942	4.4160	5.1794	4.7699	4.4208	5.1394	5.0369	4.4982	5.2340	5.8124	4.3790	5.1505	5.3983	5.4015	4.8114	5.4464	5.1113	5.2790	5.3733	5.0334	4.8131
6-Phosphonogluconolactone		3.7788	3.6513	3.4929	4.2291	4.0367	3.7553	3.5550	3.9228	4.1600	4.3016	3.7823	3.6995	3.6566	3.5580	3.0260	3.6489	4.5640	3.7498	4.9864	3.4119	4.1232	3.5991	3.9500	3.4594	3.9512	4.3351	4.9000	4.7028	4.5989	4.6878	4.1355	3.9737	4.0654	3.9229	4.1888	5.3357	6.0200	5.1090	3.5540	4.3239	4.4774	4.2497	3.6912	4.5064	4.4369	3.8722	4.7162	5.2950	3.9071	4.5425	4.7400	4.8451	4.2303	4.7245	4.8206	4.5518	4.7785	4.4964	4.3571
7alpha-Hydroxy-3-oxo-4-cholestenoate	7alpha-Hydroxy-3-oxo-4-cholestenoic acid	3.0681	2.6944	2.2134	4.5090	2.2974	2.3493	2.8575	2.9284	3.4858	2.9620	2.4681	3.4050	2.2142	2.3297	3.1584	2.6556	4.5808	2.4845	3.3750	3.2109	2.7938	3.6730	2.4523	3.7547	2.2479	4.7294	4.7239	2.3274	3.3905	1.9358	3.5316	3.2472	4.5459	4.2540	3.3317	2.8287	3.8495	3.3642	4.1400	6.2470	2.2540	3.4562	4.9929	4.4259	3.9488	4.8147	3.4948	3.6160	5.9501	3.5300	3.0219	3.6057	2.4114	2.9129	2.4605	4.9182	4.5222	2.8530	3.3803
7-Hydroxyoctanoate	7-Hydroxyoctanoic acid	3.4635	3.9355	3.4137	4.0599	3.4814	3.4407	3.4692	3.4539	3.9750	5.0705	3.5300	3.5095	3.7220	3.5203	3.4933	3.3484	4.3665	3.6277	4.0486	3.6079	3.5137	3.4530	3.7666	3.2794	3.9027	3.4932	3.2459	4.5867	3.5956	4.5173	3.6373	3.6058	3.4664	3.6244	3.7144	4.2417	3.9913	4.9322	3.6716	4.4000	3.6748	4.0209	3.6132	3.7864	3.9126	3.3136	3.6147	4.1917	3.8292	3.8393	4.0418	4.1283	3.3548	4.2448	3.7056	3.7177	3.6818	4.2478	4.1400
9-Decenoylcarnitine	CAR 10:1(9)	4.7201	4.5623	4.3955	5.1858	4.4963	3.4262	4.3736	4.6072	4.3509	5.3391	4.6481	4.0813	4.3278	4.5104	4.4689	4.2480	4.7199	4.9302	4.8885	4.1272	4.5624	4.1299	4.0756	3.9408	4.8160	4.3642	3.9815	4.4802	4.3684	5.9323	5.0012	5.3106	4.4121	4.3857	4.5678	4.4113	4.5664	5.1755	4.6971	5.5383	4.5054	4.9672	3.6870	4.8241	4.7875	4.5977	4.2494	5.0382	4.9300	3.9082	4.4385	4.7393	4.6530	4.4555	4.5471	4.0859	4.3161	5.0150	5.0053
Acetoacetate	Acetoacetic acid	4.3016	4.3255	4.3140	4.6473	4.5240	4.4244	4.3987	4.2253	4.6407	4.3442	4.1705	4.2610	4.0921	4.0972	3.9298	4.3430	5.0734	4.0173	4.2489	4.0662	4.6447	4.0892	4.5958	3.9757	4.3580	4.6481	4.3502	4.3046	4.4149	4.3159	4.0767	4.4144	4.3585	4.6035	4.5555	4.3548	4.3128	4.3911	4.1899	5.0195	4.1452	4.3371	3.9875	4.4546	4.2925	4.2864	4.1731	5.0737	4.5991	4.6272	4.3022	4.9987	4.5353	4.2196	3.9800	4.4841	4.7572	4.3594	4.6402
Acetoin	Acetoin	3.8864	3.7097	3.8271	4.1697	3.7669	3.8012	3.7398	3.9842	4.0708	3.7131	3.8630	3.9592	4.0465	3.9749	3.6628	3.9897	4.6238	3.8638	4.0899	4.0125	4.3010	3.9801	3.8509	3.5873	3.7952	4.4820	4.1452	4.4321	4.4899	4.2937	3.5558	4.2674	4.1383	4.1747	4.1283	4.2389	3.9442	4.3376	4.0372	4.9466	4.1731	3.6962	3.9248	4.1130	4.2695	4.4426	4.1705	4.3319	4.0080	4.3800	4.0144	3.9288	3.7845	3.8621	3.7378	4.0746	4.0763	3.8162	4.2832
Acetylcarnitine	CAR 2:0	7.0633	6.7284	6.8091	7.0102	6.8158	6.8556	6.7806	6.8752	7.0501	7.2641	6.9580	6.8244	6.6562	6.7524	6.5106	6.7429	6.6816	6.7865	6.9818	6.8144	7.0057	6.7725	6.7912	6.3352	6.9439	7.3247	7.0171	7.1931	7.1418	7.1039	6.9400	7.2272	7.1402	6.8895	6.9503	7.1563	6.7967	7.4749	7.1960	6.9671	6.9570	7.2172	6.8582	7.2182	7.1959	6.8036	6.9744	6.9001	7.0949	7.0593	7.0964	6.9613	6.8196	7.0405	6.9757	7.2537	7.1007	7.2110	7.2895
Adenine	Adenine	5.5977	5.3830	5.7697	5.4569	5.7459	5.7796	5.8475	5.5815	5.6249	5.6453	5.7383	5.7976	5.7061	5.8357	4.8719	5.8600	5.2729	5.7266	5.6933	5.5917	5.7444	5.7209	5.7594	4.6476	5.8468	5.8061	5.5143	5.6849	5.6218	5.5996	5.7049	5.5120	5.1715	5.4252	5.4414	5.5667	5.9132	5.6329	5.4068	5.3304	5.5954	5.6440	5.5297	5.5533	5.6121	5.7008	5.3601	5.6547	5.5239	5.8241	5.9088	5.5703	5.6716	5.6848	5.6076	5.4676	5.5851	5.9456	5.7351
Adenosine	Adenosine	6.1391	5.3470	6.4784	6.6798	6.3411	6.6416	6.3206	6.2886	6.1393	6.5501	6.6355	5.9598	6.3854	6.5908	7.4422	6.5088	6.6797	6.5354	6.2911	6.6942	5.5006	6.5825	6.3456	6.9966	6.4751	6.7551	6.3286	4.7867	6.5967	6.8273	5.1954	6.7834	6.0294	5.4940	7.0398	5.0165	4.8079	6.2242	7.4847	5.5666	6.3537	5.6225	6.4419	6.7030	6.6977	7.0295	5.6643	7.0167	7.0174	6.4676	6.5999	6.7049	6.6202	6.1375	6.0581	5.9370	6.3761	6.5459	6.7869
Adenosine monophosphate	AMP	6.6316	6.6638	6.6669	6.6623	6.8758	6.8353	6.7534	6.7105	6.6888	6.8725	7.0023	7.1907	6.8204	6.8949	5.5501	6.8397	6.0095	6.9951	6.8925	6.8299	6.6016	7.0449	6.7715	5.6161	6.9459	7.2087	7.1603	6.6282	6.6386	6.8390	6.7877	6.6936	6.3572	6.6105	6.4626	6.9653	6.5341	6.9748	6.5929	6.4073	6.8065	6.9404	7.1694	6.9814	6.7919	7.0218	6.7009	6.6497	6.8836	7.0324	7.3573	6.7100	6.8951	6.8170	6.7156	6.8231	6.9278	7.1693	6.9290
Adipate	Adipic acid	5.1004	5.0328	4.8134	4.7719	5.1730	4.9199	4.8769	4.9643	4.5866	4.5584	4.7149	5.0780	5.0628	5.0563	5.3191	5.0892	5.4768	5.1211	4.6026	4.9974	5.1827	5.0182	4.7358	4.4027	5.0114	4.6155	3.9547	5.6140	4.1705	4.8217	4.3559	4.2029	4.1883	4.5220	4.5382	4.4254	4.4794	4.1378	4.1631	5.3663	4.4724	4.3567	4.2104	4.2574	4.3292	4.2203	4.3434	5.0816	3.8057	4.4399	4.4375	4.7066	4.7592	4.1722	3.7444	3.6088	4.7488	4.4790	4.7418
ADP-glucose	ADP-glucose	3.6365	3.7289	3.3373	3.4389	4.1106	3.8025	3.7390	4.0305	3.4638	3.9638	3.9048	4.1112	3.7951	3.6564	3.2367	3.9162	3.8408	3.9410	4.2327	3.6292	3.5570	2.8384	3.6193	2.7152	2.7347	3.6327	3.4200	3.0341	3.2281	3.2243	3.4613	3.8500	3.4964	3.3960	3.3233	2.9683	3.3817	3.2751	3.2391	3.8984	3.3272	3.4390	4.5576	3.1243	3.3037	3.5454	4.0290	3.7004	2.7737	3.4363	2.6986	3.6235	4.0686	3.4483	4.7767	3.2038	3.4727	2.7520	3.8338
Agmatine sulfate	Agmatine	2.3959	2.6724	2.2895	2.7117	2.6756	2.7954	2.6191	2.5931	2.7277	2.7143	2.3226	2.2236	2.2966	2.3008	3.3833	2.5665	3.3172	2.5413	2.2140	2.4100	2.0574	2.2392	2.9831	3.0042	2.6214	2.3905	2.7363	2.5086	2.5644	2.5619	2.4492	2.6047	2.5866	2.3558	2.5563	2.3053	2.5124	2.7903	2.4096	2.9947	2.7386	2.4859	2.6497	2.6352	2.5740	2.3817	2.3170	2.9108	2.3833	2.5086	2.5741	2.5332	2.4459	2.4795	2.4235	2.4735	2.9713	2.5133	2.2386
Aicar	AICAR	4.2002	4.3727	4.1970	4.9069	3.9300	4.2155	4.2077	4.3662	4.3658	4.5087	4.4409	4.3444	4.0694	4.2077	4.3200	4.3680	4.4037	4.3584	4.1135	4.2762	4.5753	4.2784	4.2306	4.3390	4.0558	4.3756	3.8497	3.9423	4.1474	3.7195	4.1773	4.1721	4.5183	4.6370	4.3649	4.7729	3.9894	3.9153	4.5651	5.2458	3.7230	4.2508	3.8957	4.1594	4.1048	4.3584	4.0887	5.0293	4.5422	4.1993	4.1419	4.2582	4.1971	3.9472	3.8222	4.2714	4.0893	4.2742	4.7795
Alanine	Alanine	4.9809	4.9638	4.8693	4.6323	4.9827	4.7207	4.9293	4.8772	5.2412	4.8178	4.8237	4.8190	4.8826	4.6282	5.4747	4.7913	5.3682	4.7306	4.7923	4.9151	4.4824	4.7362	5.0893	5.2898	4.8695	4.9820	5.5088	5.0766	4.9454	4.8459	4.7163	4.6004	4.6089	5.0410	4.7714	4.5652	5.1434	5.0357	4.8976	5.0217	4.5463	4.8838	5.3213	5.0551	4.9445	4.8849	4.3030	5.1562	4.7319	5.1350	5.0009	5.4169	4.8909	4.8278	4.7196	4.8432	5.4435	4.8965	4.9329
Allantoin	Allantoin	3.2017	3.6989	3.0285	4.0991	3.2787	3.1980	3.2400	3.6580	3.7877	3.7779	3.5540	3.6055	3.1682	3.0506	2.9683	3.4307	5.3081	3.4581	4.1711	3.4486	3.2846	3.7141	3.6034	3.3713	3.4356	4.0773	3.6616	3.1032	3.2914	2.6570	3.2953	2.9030	3.7922	4.1068	3.4058	3.0724	3.3832	2.8401	3.5454	5.5845	2.7444	3.1732	3.7503	3.6453	3.5704	3.9815	3.9345	4.3048	3.6583	3.9534	2.9801	5.1739	3.4700	3.0577	3.8774	3.5423	4.4054	3.1962	3.6649
alpha-Ketoisovalerate	Ketoisovaleric acid	4.4790	4.3915	4.0684	5.6419	4.2095	4.1964	4.0329	4.2663	4.3862	4.4635	4.1488	4.2240	4.1033	3.9508	4.0515	4.1566	4.9732	4.1961	4.8463	4.0545	4.3755	4.2766	4.3417	3.7157	4.2106	5.2597	4.6029	4.5147	4.4199	3.8507	4.2554	3.8932	4.6256	4.9282	4.9009	4.0319	4.3009	3.8977	4.8430	6.4061	3.7936	4.4508	4.8334	4.3829	4.6428	5.1941	5.2483	5.5012	4.6728	4.6714	4.1405	4.8162	4.1132	3.9736	4.3570	4.2305	4.6759	4.4356	4.9463
Aminoadipate	Aminoadipic acid	4.7932	4.5189	4.7068	4.3583	4.4453	4.6221	4.6511	4.8015	5.4857	5.0463	4.6886	4.8673	4.9681	4.5817	4.4125	4.6025	5.0800	4.8261	4.4540	4.8635	4.7078	4.8846	4.8431	4.9093	4.8914	5.1131	5.6829	4.6615	5.9569	5.0739	4.6458	5.9147	5.3000	5.1256	4.6147	4.7619	4.7344	5.6563	5.6195	4.7690	5.2637	4.6103	5.5813	6.0324	5.7420	5.4387	4.0364	5.1247	4.8534	5.2230	5.5899	4.5878	5.3038	5.0198	4.4602	4.7611	5.0704	5.1175	5.6491
Anserine	Anserine	3.6656	3.3373	3.9877	3.1591	4.7057	3.8716	4.1443	3.6220	3.7201	3.2282	3.8962	4.4141	3.7158	4.1128	3.0836	3.7454	3.7506	3.6229	3.4603	3.8827	3.1790	3.9304	4.6931	3.5932	3.5861	2.7729	3.1561	2.6198	3.0478	3.9334	3.1685	3.6345	3.3118	2.9961	4.2496	2.8017	3.0308	3.0692	3.1362	3.4882	2.5283	2.9785	3.1395	2.9640	3.1172	3.2864	3.2770	3.4469	2.9388	2.8920	3.2167	3.6413	3.8635	3.1170	3.0950	3.0970	3.7301	3.1634	3.2775
Arabitol	Arabitol	3.8345	3.7151	3.6907	3.6273	3.7205	3.5645	3.6206	3.8121	3.4369	3.9499	3.6105	3.7149	3.5954	3.5611	3.5264	3.6335	3.8636	3.8776	4.4479	3.4447	3.9287	3.4026	3.5407	3.5437	3.8545	3.4954	3.4376	3.4650	3.4303	3.4374	3.4739	3.3973	3.2289	3.4440	3.7062	3.5648	3.7250	3.1612	3.0109	3.8527	3.6255	3.3997	3.4004	3.2093	3.1911	3.2675	3.7264	3.7526	3.3282	3.5489	3.1951	3.6149	3.5653	3.3637	3.5084	3.2206	3.4487	3.1627	3.3126
Arginine	Arginine	5.2350	5.3798	5.2242	5.3513	5.7112	5.6313	5.4032	5.5963	5.5174	4.6288	4.9827	5.0818	5.1888	5.0335	6.4447	5.1829	6.1211	5.1584	5.1245	5.1030	4.7978	4.9687	5.9569	6.0351	5.3575	5.0838	5.6847	5.2342	5.2996	5.5231	5.3001	5.2694	5.4730	4.9539	5.4119	5.0014	5.2591	5.4947	5.2396	5.5831	5.8014	5.3170	5.7212	5.5166	5.5216	5.2738	5.1169	5.4670	5.2136	5.3696	5.4689	5.4835	5.3583	5.2224	5.3514	5.2254	5.9655	5.2490	5.1604
Argininosuccinate	Argininosuccinic acid	2.9988	2.8010	2.6812	2.9884	2.6614	2.6556	2.6686	2.8557	3.6246	2.9228	2.6564	2.7352	2.5058	2.5470	3.1715	2.6541	4.1103	2.6887	2.5049	2.5547	2.4719	2.5637	3.2984	3.3811	2.7848	2.9260	3.3117	2.5720	2.4310	3.1735	2.3988	3.2476	2.9418	3.1747	2.3784	2.5193	2.7713	3.2213	2.6988	3.0889	2.9219	2.9576	3.3519	2.8061	3.0981	2.6301	2.4134	3.3930	2.4086	2.6739	3.5031	3.0390	2.5491	3.3716	2.9920	2.6241	3.0141	3.1990	2.9831
Ascorbate	Vitamin C	3.9305	4.3085	4.0420	3.8860	3.8147	3.9719	3.5085	3.9806	3.8278	5.6436	4.2824	4.0820	4.1229	3.6576	3.7274	4.0118	4.1414	4.3713	5.2110	4.0725	4.0614	3.8603	3.5926	3.9391	3.7092	3.9123	3.7962	3.9648	3.8235	3.8143	3.6896	3.7974	3.3677	3.7890	3.9833	3.9202	3.7201	3.4384	3.7129	4.7556	3.5921	3.5687	3.3560	3.7611	3.8485	3.5513	5.0597	4.1358	3.7712	3.8211	3.5885	3.8180	4.1324	3.7665	4.0800	3.4899	3.6697	3.7341	4.1280
Asparagine	Asparagine	4.1576	4.5346	4.5449	4.8989	4.8122	4.5407	4.5478	4.5539	4.7692	5.0072	4.3870	4.4150	4.5753	4.2928	5.4564	4.6293	5.4877	4.2928	5.2587	4.5025	4.4182	4.4617	5.0102	5.1827	4.6557	4.6748	4.6819	4.4778	4.7144	4.4612	4.7698	4.1179	4.6083	4.8393	4.6442	4.4250	4.6092	4.6392	4.3175	5.0655	4.5901	4.4583	4.7683	4.5825	4.5578	4.7024	4.9529	5.1898	4.7668	4.8122	4.6796	5.1508	4.6687	4.5906	4.7158	4.6084	5.1224	4.4578	4.7296
Aspartate	Aspartic acid	5.7852	5.7522	5.6156	5.0838	5.7488	5.4198	5.6859	5.5986	6.0719	5.3475	5.5767	5.5028	5.5989	5.4407	6.2700	5.5302	5.7711	5.4277	5.2378	5.6351	5.3258	5.4252	5.6986	6.0470	5.6293	5.6671	6.2680	5.8708	5.6984	5.5051	5.4422	5.4656	5.1032	5.6769	5.5909	5.2433	5.9259	5.8876	5.5615	5.4936	5.0603	5.5969	6.0081	5.8481	5.7059	5.5934	4.6323	5.5702	5.4798	5.8507	5.7852	6.1746	5.5570	5.4812	4.9686	5.6185	6.2372	5.5261	5.4915
Azelate	Azelaic acid	5.1562	4.8045	4.8050	5.2135	4.6703	4.8812	5.2153	5.2892	4.8078	4.7337	5.1040	4.8417	4.9685	4.7761	5.1492	4.8268	5.7541	4.8829	4.2298	4.7416	4.8673	4.6497	5.0271	5.1160	4.8448	4.6554	3.4729	4.5718	4.7781	5.0022	4.5585	4.5467	4.3350	5.1364	4.9852	4.7140	4.9234	4.6979	4.1193	5.7897	4.8265	5.0613	3.4710	4.1564	4.3543	4.3142	3.8821	5.4181	4.7454	4.7610	4.7662	5.0153	5.0132	4.5566	4.4893	3.8333	4.4604	4.7924	4.9945
Benzaldehyde	Benzaldehyde	2.7878	2.9625	1.9457	2.8423	2.4424	2.5729	2.1923	2.4647	3.0792	3.1005	2.4766	2.8147	2.0662	2.1065	2.6306	2.5758	2.9127	2.5435	3.7666	2.5828	2.4658	2.5473	2.3129	2.5155	2.2709	3.2413	2.8160	2.7020	2.4021	2.6150	2.1153	2.5790	2.9977	3.2169	2.5283	2.6624	2.3578	2.3143	2.9026	3.3413	2.0798	2.4173	2.6958	2.5911	2.5424	2.5825	3.7763	3.1722	2.9314	2.9961	2.7490	2.7778	2.5126	2.1103	3.0490	2.5111	3.2212	2.2145	2.7501
Benzoate	Benzoic acid	4.4736	4.7289	4.3997	4.3429	4.2887	5.6980	4.1733	4.5267	4.3162	4.2520	4.4299	4.3945	4.1546	4.1534	4.2439	4.4043	6.0204	4.5647	4.3430	4.3390	3.9608	4.2595	5.6654	4.0431	4.3661	4.6054	3.8805	4.0482	4.2048	4.4880	3.9953	3.7665	4.4744	4.4645	4.4029	4.3010	4.1214	4.1591	4.2094	5.0466	4.1699	4.3403	4.0065	3.9676	4.0530	4.6525	3.7730	4.6724	4.2522	4.5099	4.8787	4.9153	4.4117	3.9379	3.6515	3.4986	4.6198	4.1730	4.5140
Benzylamine	Benzylamine	3.8861	3.8495	3.6651	4.2644	3.9240	3.9981	3.8859	3.9476	4.1403	3.9281	3.9337	3.9260	3.6658	3.6178	3.5488	4.0516	4.6037	3.7348	4.0313	3.7783	3.8529	3.8601	4.1538	3.7212	3.9757	4.2128	3.7446	3.9105	4.0232	3.9013	3.7538	3.8497	4.0517	3.7774	3.9600	3.6851	3.8454	3.8064	3.9993	4.8219	3.7561	3.8581	3.7322	3.6924	3.7574	3.8980	3.7854	4.7249	4.0227	4.1588	3.9490	4.2887	3.9837	3.7609	3.8445	3.8568	4.2733	4.0868	4.2168
Betaine	Betaine	6.7043	6.6869	6.7300	6.6718	6.6434	6.5348	6.4663	6.7422	6.8743	7.9251	6.8345	6.7748	6.7155	6.4639	6.2694	6.6954	6.7027	6.9388	6.7332	6.5805	7.3067	6.6093	6.7646	6.7989	6.9085	6.9072	6.9200	6.0773	7.2128	7.0892	6.4297	6.7462	6.4879	6.8340	6.6321	7.1259	6.9456	7.2412	6.8640	6.9302	6.7437	6.6597	6.8637	6.7362	6.8316	6.6768	6.6740	6.7704	6.5018	6.4366	6.6600	6.8439	6.7662	6.8938	6.7065	6.9506	7.1628	6.8030	6.9715
Betaine aldehyde	Betaine aldehyde	4.3345	4.2524	4.5910	4.3345	4.5307	4.2425	4.2678	4.3995	4.1234	4.3566	4.1670	4.2108	4.3735	4.4274	4.3280	4.3932	4.5864	4.2684	4.0865	4.3298	3.7171	4.4896	4.4277	4.3025	4.5442	3.9334	4.4113	4.7282	4.7053	4.7456	4.2617	4.7606	4.2147	4.3349	4.1975	4.7520	4.9016	4.6719	4.1667	4.5179	4.3414	4.6756	4.5457	4.1589	4.5410	4.2835	4.3265	4.2690	4.2369	4.4646	4.5787	4.5227	4.1878	4.4925	4.2630	4.7441	4.6576	4.5481	4.3893
Biliverdin	Biliverdin	3.5587	3.0717	2.9262	3.0574	2.5412	2.9499	2.7129	3.2730	3.0091	3.7282	2.8627	2.7330	2.7437	3.1343	3.5259	3.1397	4.1670	3.0110	4.3297	3.0280	3.4195	3.2298	3.4265	4.1765	2.7401	4.5773	4.8336	3.3037	4.1052	2.7663	2.6824	3.1106	4.4949	4.3149	2.9156	2.6615	2.7454	3.0161	5.0987	4.0563	2.7741	3.5832	4.4949	4.3689	4.1860	4.6719	4.0811	3.4743	4.5657	4.0615	2.8867	3.1016	2.8555	3.2547	3.5793	4.9276	4.0044	3.3227	3.5159
Biotin	Biotin	3.2251	3.6469	3.1023	3.5295	3.2309	3.3191	3.1431	2.7963	3.3443	2.5892	3.7338	3.4548	3.1789	3.1878	3.6381	3.3692	3.1515	3.6618	3.8863	3.3736	3.7544	3.2302	2.5488	3.9538	3.1772	3.7238	2.6619	3.4462	3.2502	3.2448	3.0397	2.1903	3.5051	3.4958	3.2187	3.2663	2.3573	3.2215	3.2249	4.2624	3.1788	2.8100	2.5432	2.6919	3.1341	3.3203	3.3330	3.6010	3.6207	3.4162	3.3368	3.6033	3.3456	2.4109	4.2520	2.7545	3.6140	1.8354	3.6087
Bis(2-ethylhexyl)phthalate	Bis(2-ethylhexyl)phthalate	3.9344	3.9826	3.7735	3.2391	4.2675	4.3389	3.9880	4.1280	4.1102	4.3884	4.0319	4.0033	3.8495	3.8051	3.8099	4.0118	4.8282	3.9179	4.1939	3.8664	4.0183	3.9029	4.5572	3.9092	4.4087	4.0427	3.7827	3.8785	3.9498	3.8469	4.1946	3.5960	4.1212	3.3151	4.2594	3.7897	3.8116	4.0953	3.8078	4.6957	3.7865	3.9869	3.8464	4.0435	4.0567	3.8680	4.3923	4.6803	3.9610	4.0846	3.9789	4.3993	4.0631	4.1800	4.1187	3.8399	4.4746	4.1378	4.2924
Butanoate	Butyric acid	4.6156	4.9639	4.6230	4.4580	4.9591	4.6206	4.3785	4.6950	4.1979	4.1868	4.2806	4.7351	4.6321	4.4856	4.9479	4.7015	4.6497	4.7755	4.7809	4.7301	4.7334	4.7554	4.4203	4.5509	4.4861	4.3936	4.2581	4.2939	3.8410	4.3695	4.1901	4.6085	4.4064	4.1747	4.2471	4.2352	3.9275	4.2126	4.2589	5.1360	4.1815	4.1480	3.7911	4.4415	4.4280	4.1860	4.7895	4.6098	4.4473	4.0347	4.3306	4.3340	4.3859	3.9331	4.0634	3.8272	4.1522	3.9827	4.4505
Caffeate	Caffeic acid	3.7670	4.2478	3.9598	3.8067	4.2626	4.2432	3.7635	3.8610	3.7903	5.5372	4.5219	4.0576	3.2254	3.9488	3.9902	3.8563	3.0644	4.2407	5.2491	3.9829	4.6694	3.8703	3.1433	4.1041	3.5551	3.6131	2.2083	3.4291	3.1337	3.2353	3.2034	3.3684	3.3504	3.6205	3.7082	3.2533	2.5443	3.0783	3.5151	4.3092	3.3598	2.3164	2.2617	2.0541	2.7647	2.2806	4.6914	4.0495	3.4463	3.5267	3.0938	3.5692	4.1204	1.8801	4.4752	1.8147	3.3296	2.6200	3.8048
Caffeine	Caffeine	4.1784	3.8539	3.3080	5.6987	5.7401	5.2300	4.6391	4.2566	5.2791	4.1887	5.5174	5.4319	3.2596	5.2333	4.2330	5.4035	5.2144	4.6335	3.4611	4.8811	5.4571	4.7968	4.6736	2.2231	4.8228	2.8535	3.5417	3.7385	3.1921	5.2214	5.0716	5.9011	4.9154	4.2036	5.1474	3.8890	4.8763	3.2495	5.6215	6.7368	3.3466	3.7410	4.8666	3.7693	5.1667	3.8208	2.9972	6.3785	2.1620	4.5658	4.4914	4.4503	3.9738	4.0141	3.3948	3.4979	4.7958	5.3683	5.2193
Carnitine	Carnitine	6.7848	6.4445	6.9747	6.8120	7.0162	6.5706	6.7917	6.8294	6.4341	7.0458	6.6520	6.6741	6.8318	6.8495	6.7808	6.7546	6.9781	6.7180	6.5336	6.6561	6.3172	6.7723	6.8572	6.6743	7.0071	6.4810	6.9187	7.2883	7.1757	7.2020	6.7535	7.2205	6.6790	7.0280	6.6518	7.2510	7.4492	7.1883	6.7942	6.9254	6.7955	7.1831	7.0052	6.7058	6.9972	6.7718	6.7817	6.6168	6.6847	7.0068	7.1165	6.9832	6.5552	6.9863	6.9051	7.2279	7.0894	7.0933	6.8216
Carnitine (12:0)	CAR 12:0	5.4284	5.2702	4.2786	4.4286	4.1233	4.0993	4.3351	4.5981	5.1394	5.5986	4.8966	4.3383	4.4374	4.6656	5.4710	4.5601	4.4072	5.2298	5.3688	5.1173	5.9254	5.0804	3.7342	4.4895	4.3953	4.2544	4.8659	4.3669	4.7946	6.1213	4.8681	5.3875	5.0897	4.8407	4.8666	4.6214	4.0279	5.6115	5.1672	5.3951	4.5761	5.0027	4.2118	5.8720	5.4874	5.1737	5.5813	4.7361	5.3877	4.3870	4.6534	4.4800	4.6417	5.4192	5.5343	4.6781	4.5725	5.2794	5.2341
Carnitine (14:0)	CAR 14:0	4.5158	4.6926	3.8081	3.7759	3.5481	3.7806	3.9241	3.4670	4.7989	4.8151	4.3332	4.8100	3.8536	4.1928	5.4092	4.1937	4.2863	4.5037	5.0166	4.7911	5.3479	5.0567	3.1997	4.4175	3.7992	4.2113	5.4911	3.7922	4.4442	4.7426	4.2708	4.6017	5.5861	4.9662	4.0441	3.9550	3.6123	5.0360	5.5388	4.2853	4.0518	4.3820	5.0434	6.1043	5.7628	5.5539	6.1711	4.0212	5.2748	4.1277	4.6326	3.9474	4.1527	5.2446	5.1033	5.5316	4.2493	4.1219	5.0668
Carnitine (16:0)	CAR 16:0	4.3450	4.7022	4.2261	5.0925	3.5092	4.2516	4.3919	3.9863	5.0091	5.8665	4.3747	5.8410	4.2247	4.3054	5.2946	4.2023	4.9829	4.7950	5.7426	5.4791	5.3420	5.4795	3.8433	4.9338	4.2486	4.8701	6.0742	4.4352	4.9856	3.9092	5.0352	5.5118	6.1583	5.5256	4.1171	4.4716	4.0180	5.2147	5.7703	4.6337	4.5039	4.0958	5.7616	6.7491	6.4233	6.3165	7.0629	4.2654	6.1136	5.1215	5.6617	4.4590	4.2837	6.0453	5.8523	6.4845	4.6110	4.6750	5.6299
Carnitine (18:1)	CAR 18:1	5.2078	4.9313	4.6354	4.7389	3.8987	4.0399	4.5647	3.9330	6.0527	5.8627	5.0063	5.4166	4.3804	4.7721	6.5556	4.6467	5.2392	5.3927	5.5946	5.3618	6.5008	6.2612	3.8151	5.6797	4.1265	5.9184	6.7099	4.2169	5.8361	4.0582	5.1327	6.0647	7.1494	6.3682	4.6104	4.3142	4.1826	5.3955	6.8433	5.0233	4.8445	5.5739	6.2863	7.4875	6.9191	6.9123	7.3594	4.6062	6.6384	5.3401	5.7910	4.9231	4.4141	6.2262	5.9291	7.0425	5.0177	4.7900	6.0582
Carnitine (3:0)	CAR 3:0	6.1454	5.6929	5.9167	5.1795	6.1118	5.6221	5.9254	6.1358	4.8921	6.8806	5.9101	5.4963	5.9434	6.1111	5.6610	5.6948	5.3628	5.7144	5.6524	5.7689	6.5338	5.6379	5.8336	5.0906	6.1274	5.1916	5.6861	5.9065	5.5518	6.0040	5.6236	5.8118	5.3305	4.9195	5.9457	6.2984	5.8155	5.9153	5.1999	5.4003	5.8532	5.8946	5.5555	5.5653	5.7454	5.5489	6.2781	4.9448	5.0072	5.1402	5.5718	4.9100	5.6808	6.1639	6.4686	6.7430	5.7330	6.2540	5.4034
Carnitine (4:0)	CAR 4:0	6.5827	6.7751	6.7074	6.4420	6.5692	6.6028	6.6071	6.4652	6.7560	6.9937	6.8027	6.7099	6.6518	6.5938	6.1998	6.6297	5.7050	6.7941	6.6494	6.6586	6.6935	6.8378	6.6787	5.8679	6.7331	6.4490	6.3761	6.7065	5.9672	6.8196	6.6771	6.6019	6.1432	6.2210	6.5203	6.7587	6.5033	6.7581	6.5130	6.3026	6.5788	6.5358	6.1414	6.4985	6.5350	5.8864	6.5198	6.0950	6.3218	6.3614	6.6936	6.2771	6.5969	6.2837	6.3547	5.7910	6.5506	6.8216	6.8751
Carnitine (6:0)	CAR 6:0	5.4778	5.6667	5.8409	5.7065	5.6728	5.6539	5.4720	5.4836	5.7275	6.5915	5.8004	5.6166	5.8391	5.6475	5.4471	5.4127	4.8828	5.9324	5.5215	5.7268	5.7900	5.0655	5.3947	4.6825	6.0191	4.4343	4.0515	6.0303	4.5649	6.2902	6.0380	5.7609	4.3805	4.5582	5.7015	6.0461	5.7369	5.8215	5.2533	5.0483	5.7182	5.1794	3.8989	4.8138	4.7991	4.4262	4.7476	5.4877	4.7872	4.3464	5.0501	4.7174	5.5594	5.6425	5.4359	4.0461	4.5862	6.1640	5.8803
Carnitine (8:0)	CAR 8:0	4.9102	5.2931	4.4743	5.3248	4.4187	4.4763	4.3459	4.9085	5.1366	5.9233	5.1304	4.5843	4.4337	4.2954	4.2706	4.6172	4.4250	5.3749	5.0663	5.1798	5.1491	4.1709	4.2164	4.0658	4.7874	4.3229	3.7532	5.6726	4.4641	5.8931	5.0758	5.2286	4.1306	4.4018	5.0426	5.5791	5.3217	4.9450	5.0166	5.1725	4.6861	4.5131	3.3193	4.7511	4.6172	4.4492	4.2315	4.9987	4.8985	4.1525	4.4627	4.7024	4.5535	5.2882	4.9984	3.7635	4.2880	5.3157	5.2099
Carnitine (glutaryl)		5.1104	6.0476	5.3101	4.8251	5.1379	5.2190	5.1401	5.2552	4.5582	4.2432	5.1842	5.4539	5.2653	5.6382	5.1680	5.5728	5.2867	5.3899	4.7707	5.2232	5.2728	5.7333	5.3067	4.2986	5.1983	4.3093	4.5551	4.2039	4.8405	5.4370	4.1989	5.5910	4.8679	4.5279	4.0434	4.5325	4.2276	4.0269	4.3932	5.0026	4.4485	4.5033	4.6074	4.4565	4.8147	4.5782	4.9980	4.9391	4.1869	4.6135	5.0122	4.3277	5.5560	4.3971	4.7389	4.4053	4.1287	4.9307	4.8585
Carnosine	Carnosine	3.8330	3.7202	4.0329	3.7485	4.2181	4.0074	3.8180	4.0686	4.5748	3.4890	3.8769	3.9985	3.8345	3.8158	4.9486	3.7792	3.8857	3.1788	3.4927	3.9993	3.1588	3.6922	4.7483	5.4789	4.1650	3.0798	3.3324	3.3368	3.2533	3.4694	3.6441	2.8824	3.5162	3.4169	3.9139	3.1516	3.6000	3.5081	2.8902	3.9593	3.0420	3.5584	3.3815	3.3115	3.1694	3.8389	3.5089	3.9294	3.6290	3.1487	3.5129	4.1574	4.0681	3.0891	3.2827	3.2340	3.6423	3.1325	3.2405
CDP-ethanolamine	CDP-Ethanolamine	5.6997	6.0835	5.7721	4.9476	5.7426	5.7119	5.5512	5.6597	5.8728	4.3007	5.3414	5.4798	5.7227	5.7139	5.1558	5.4870	5.6245	5.7427	4.6407	5.3842	5.4207	5.4279	6.0377	5.9669	5.6944	5.2949	5.7393	6.3357	5.7204	5.8230	5.9186	5.5738	5.2166	5.3920	5.9501	5.9498	5.8749	5.8521	5.1100	4.5916	5.7436	5.8006	5.8014	5.9255	5.6653	5.4947	4.5704	5.5421	5.4777	5.9169	5.8350	5.4201	5.6871	5.7856	4.4573	6.3523	5.3625	5.6352	5.2724
Cholate	Cholic acid	2.4321	2.3953	3.2517	3.7565	2.3688	3.5922	3.0531	3.3945	4.5077	3.1168	2.9096	2.9686	2.5998	3.7994	2.8284	2.9755	4.4722	3.1011	2.9628	3.3062	4.7341	3.5521	3.2512	3.4295	2.6467	3.2371	1.9868	1.4420	3.6434	2.5541	2.5116	2.0357	4.2023	3.7659	4.2589	2.4501	4.0952	2.8699	3.3315	5.6285	1.9956	2.4821	3.0260	2.6110	3.0094	4.3583	2.9421	4.9570	3.5354	2.5127	2.9490	3.4839	2.6325	2.3252	2.4677	2.5416	3.3001	3.4464	3.6342
cis-4-Hydroxyproline	cis-4-Hydroxyproline	3.6207	3.7861	3.9419	3.9258	3.6307	3.7819	3.8320	3.6931	3.8326	4.1188	3.7120	3.6932	3.6753	3.4632	3.6103	3.6922	4.4292	3.4680	4.1161	3.7920	3.7545	3.6715	4.0152	3.7797	3.8119	3.9622	3.8645	3.5723	3.8757	3.5015	3.8381	3.0075	3.5838	3.9822	4.0686	3.6181	3.7308	3.4602	3.5923	4.5537	3.5990	3.4339	3.6465	3.7700	3.6137	3.6936	3.7372	4.4767	3.9237	4.0133	3.7368	4.2034	3.8098	3.5951	3.5767	3.8390	3.9727	3.6834	4.0085
cis-Aconitate	cis-Aconitic acid	4.7894	5.2244	4.4475	4.5382	4.0726	4.4769	4.2804	4.4434	4.4627	4.8442	4.7064	4.6657	4.3374	4.3306	4.5370	4.4535	4.2904	5.4476	5.3791	4.5247	5.0600	4.6696	4.1100	4.5227	4.2102	5.0845	5.1305	4.4531	5.0838	4.9109	4.4109	6.0009	4.9072	5.1734	4.9024	4.7598	4.3433	4.8683	4.9638	5.0276	4.5053	4.8421	4.5516	4.5505	4.8860	4.8917	5.7615	4.8276	4.8031	5.0622	4.5671	4.7368	4.5737	4.8423	4.7807	4.8602	4.5668	4.7298	4.9060
Citicoline	CDP-choline	4.2464	4.4219	4.0958	4.2720	4.5434	4.1123	4.0053	4.4851	4.5332	4.5463	3.9630	3.9619	4.1285	4.0221	3.9580	4.1228	4.3397	4.2661	4.2543	3.9152	4.0203	3.7230	4.6180	4.8339	4.2664	3.5786	4.4091	4.9686	4.5863	4.0401	4.7513	3.8220	4.4046	4.0637	4.5160	4.7701	4.7391	4.6294	4.1174	4.0096	4.5608	4.6033	4.3096	4.2541	4.3277	4.0819	4.7731	4.2118	4.5907	4.3693	4.5332	4.5235	4.4024	4.4910	4.1746	4.4187	4.2102	4.4703	4.0870
Citramalate	Citramalic acid	5.0808	6.2629	5.3668	4.5369	5.0626	5.1527	5.4297	5.1975	4.4348	4.5309	5.1242	5.4878	5.1690	4.8658	5.3138	5.6912	4.7857	5.4244	5.8550	5.1622	4.8791	5.5876	4.5116	5.2414	4.9173	4.5155	4.6944	4.5643	4.5371	4.1509	4.3780	3.8510	4.4528	5.0685	4.3622	4.2601	4.5515	4.3335	4.3187	5.2688	4.0773	4.2820	4.2972	4.4495	4.5401	4.5298	6.0213	5.2697	5.0133	4.4893	4.1657	4.4476	5.4816	4.1071	4.1251	4.2979	4.3405	4.2843	4.2859
Citrate	Citric acid	7.1244	7.0698	6.3791	7.2447	6.4847	6.4145	5.9684	6.9377	7.0291	7.0924	6.9041	6.8183	6.6818	6.3353	7.0111	6.4315	6.9801	7.2009	7.9696	6.7237	7.0318	6.7633	6.1758	6.9164	6.5207	7.3553	7.5063	6.7858	7.1664	7.1858	6.8957	7.5291	7.2175	7.3196	7.3031	7.2010	6.9372	7.3515	7.3199	7.8534	6.7289	7.2506	7.3751	7.2525	7.3307	7.4333	7.9960	7.3547	7.1719	7.4560	7.0407	7.0292	6.5306	7.2427	7.3729	7.2497	7.0471	7.0897	7.2648
Citrulline	Citrulline	3.7153	3.5135	3.7823	4.1336	3.5561	4.1494	3.6267	3.7295	4.3410	3.9977	3.1715	3.3910	3.4752	3.3668	3.3271	3.6446	4.7237	3.5219	4.2617	3.3943	3.4084	3.6092	4.1510	3.6152	3.4175	4.1735	4.6046	3.5786	4.0685	4.1932	3.6464	4.1866	4.3125	3.8324	4.4145	3.9723	3.9215	4.3088	3.9667	4.8550	4.1053	4.2217	4.2349	4.0813	4.0938	4.2243	4.1438	4.6031	4.0659	4.2074	4.3252	4.3433	3.8721	3.7522	4.1739	4.0203	4.4588	4.0841	4.2462
Cortexolone	11-Deoxycortisol	3.5694	3.3164	2.6707	3.0486	2.8249	3.1781	2.9348	3.1633	3.0150	4.2975	3.2690	3.1280	2.8953	2.8365	2.8279	3.3858	4.2432	3.0514	3.2373	3.4846	3.0355	3.3029	2.9545	3.3307	2.9175	3.2774	2.4624	3.4397	2.7514	2.6181	3.0456	2.7939	3.5235	3.2582	2.6284	2.7519	3.0088	3.2659	3.3695	3.8960	2.8358	2.8603	2.0622	2.6517	3.3902	3.4146	3.2464	3.1640	3.2590	3.0545	2.8404	3.3988	2.8650	3.0041	3.0111	2.7668	2.6360	3.1357	3.6215
Cortisone	Cortisone	3.4199	3.7698	4.0079	2.7671	3.2214	3.3536	3.4145	3.5529	2.9919	3.4729	3.5850	4.0799	3.5426	3.6119	3.4965	3.6149	3.6457	3.7100	3.9083	3.5503	3.0579	3.5378	3.4615	3.2650	3.6625	2.9679	2.8991	2.6513	3.5459	3.1653	2.6824	2.9129	2.9670	2.9134	2.5225	2.8783	2.4639	2.9632	2.9752	3.5055	2.7556	3.0113	2.4854	3.0782	3.1029	2.9148	3.5612	3.4631	3.0558	3.0643	3.1461	2.8262	3.0777	3.0913	3.1698	2.8953	3.0168	3.0895	3.1069
Creatine	Creatine	6.8107	6.9155	6.7598	6.9507	6.6899	6.8644	6.8187	6.9186	7.0079	6.8575	6.9135	6.8163	6.8890	6.9549	6.8091	6.7565	7.2006	7.0404	6.8270	6.8525	6.6850	6.6942	6.7775	6.7631	6.6141	7.3103	6.7175	6.9198	7.2807	6.6890	6.9850	6.8881	7.2491	6.7060	7.4060	7.1497	7.2877	6.6207	6.8323	6.8757	6.8928	7.0912	6.6854	7.2431	6.8700	6.8961	7.1398	7.7145	7.5938	6.7303	6.8646	7.0387	6.7337	7.0037	6.3456	6.9257	6.7515	6.5431	6.7841
Creatinine	Creatinine	7.0169	7.2225	6.3571	6.6154	6.4852	6.8466	6.4204	7.0521	6.5414	6.2798	6.6365	6.6290	6.3291	6.4660	6.5304	6.7364	7.0212	6.9339	6.8505	6.4169	6.4001	6.4755	6.5917	6.5193	6.4425	6.4783	6.4575	6.4801	6.4366	6.1313	6.5001	6.0904	6.5668	6.3362	6.6882	6.4911	6.8381	6.0383	6.3404	6.9458	6.2392	6.4659	6.0567	6.5639	6.1842	6.2060	6.8535	7.1075	6.9335	6.1515	6.2576	6.4106	6.9373	6.2827	6.2403	6.1494	6.1448	6.0876	6.2315
Cyclic ADP-ribose	Cyclic ADP-ribose	6.5518	6.4933	6.4506	5.7039	6.3751	6.2680	6.4496	6.5370	5.9437	5.2514	6.5482	6.5216	6.6463	6.4807	5.8951	6.7983	5.4225	6.5761	5.0831	6.4808	5.8339	6.4968	6.2384	6.5065	6.4988	5.5346	6.3583	6.0973	6.8633	6.2951	5.9011	6.0228	5.1926	5.8166	5.4910	6.4925	6.2033	6.0748	6.5397	5.5138	6.5525	6.1461	6.2830	6.1102	6.3012	6.3481	5.2448	5.9930	6.4743	6.5037	6.7448	5.7532	6.5544	6.5497	5.4008	6.2781	6.2791	6.3286	5.8187
Cyclic AMP	3',5' cyclic AMP	3.8358	4.3267	4.1837	4.6676	4.5339	4.6497	4.3782	4.6339	4.4725	4.0886	4.5769	4.5610	4.7789	4.3501	3.6579	4.3162	4.3394	4.9017	4.5169	4.2626	4.0139	4.6893	4.3299	3.2987	4.7176	5.1877	4.8194	4.4399	4.5957	4.4064	4.6528	4.9836	3.9517	4.5321	5.3458	4.8807	5.1179	4.9744	4.4628	4.6432	4.4238	4.2428	4.4201	4.9049	4.7052	4.8065	4.2905	4.1996	5.0055	4.4308	4.4802	4.8457	4.3671	4.4039	3.9217	4.5100	4.4935	4.4067	4.3940
Cystathionine	Cystathionine	4.8221	4.0592	3.9263	5.4403	4.5724	4.4063	4.5205	4.2157	5.1650	3.7293	3.9678	5.0703	4.4252	4.2963	4.5688	4.7803	5.8965	4.3330	4.0198	3.7526	3.8169	4.6672	5.4747	3.5906	4.9193	5.9500	5.3926	3.4903	4.9309	4.6934	4.0422	4.8143	5.6066	5.8137	3.7456	4.4759	4.7399	4.2168	5.7271	4.5434	4.9581	5.8115	5.1736	5.3638	5.7824	5.5331	4.2421	5.0655	4.5381	5.5938	5.0822	5.8970	4.8932	4.7054	4.3306	4.5124	5.6562	5.1299	5.9171
Cysteine	Cysteine	2.7094	3.6435	3.6212	2.9465	3.3980	3.5916	3.7706	3.7496	2.8671	3.8613	3.4456	3.7871	3.8749	3.6396	4.0514	3.7344	3.6563	3.2514	4.1808	3.6349	3.2897	3.6671	3.3707	3.8338	2.9853	2.7760	3.0198	3.1481	2.1248	3.6949	2.8353	3.1219	3.5406	2.6912	3.2377	3.1334	2.7835	3.0474	3.4462	4.1367	3.5884	2.7672	3.0888	3.6469	3.1384	2.6522	3.7828	3.1495	3.0733	3.1529	2.9793	3.0365	3.4285	2.8862	3.6825	2.8032	2.9089	3.0780	3.3011
Cystine	Cystine	3.7974	4.6092	4.6402	4.2698	4.4508	4.6344	4.8665	4.9255	3.5658	4.3651	4.3927	4.8862	5.0086	4.8032	5.2396	4.8292	4.6960	4.1929	4.4133	4.6736	3.5695	4.7879	4.4035	5.0443	4.1047	3.7498	3.7516	3.8566	2.9771	4.6667	3.6132	3.4970	4.5264	3.6316	4.1026	4.2218	3.2301	3.8030	4.4652	5.0702	4.5234	3.5425	3.9196	4.7016	3.8449	3.3156	3.9472	4.4034	4.0432	3.5722	3.8463	4.0318	4.2660	3.6408	4.0472	3.3481	4.0218	4.0160	4.1918
Cytidine	Cytidine	5.4503	6.3183	6.0910	5.2478	6.0337	6.0086	5.9193	5.9743	5.9738	6.9189	5.9061	5.8708	5.9849	5.8646	5.5331	6.0102	6.0812	5.9052	5.3041	5.6461	7.0417	5.9937	6.0370	5.7313	6.0924	6.1067	6.1343	6.5790	6.6749	6.2088	5.5698	5.9162	6.0847	5.5715	6.3382	6.1209	5.7851	6.1918	5.6245	5.6501	6.4428	5.9066	6.2782	6.1816	6.1011	6.0866	5.6606	5.6629	6.1796	6.3382	6.5345	6.3251	5.9888	6.6771	4.7772	6.3155	6.9069	6.2869	5.9841
Cytidine cyclic phosphate		4.0593	3.9373	3.8402	4.7288	3.9957	3.8313	3.9217	3.8180	4.3908	5.1873	3.6566	3.8384	3.7986	3.7540	3.7821	3.8730	4.3547	3.9586	4.9899	3.8918	4.1873	3.8510	3.8451	3.6030	3.7835	4.1502	3.9957	4.1434	4.1175	3.6591	3.9685	4.1406	3.9188	4.3870	4.3565	4.0465	3.9713	3.8355	3.7771	4.6840	3.7313	3.8752	3.7645	3.8155	3.7787	3.8110	5.2838	4.6809	4.6952	4.0399	3.9089	4.1089	4.2288	3.8010	5.4816	3.8917	3.9860	3.9250	4.0031
Cytidine diphosphate	CDP	4.3163	3.6601	4.3051	3.8558	4.0132	4.0040	3.9167	3.8563	3.7350	4.0459	3.5378	3.9730	3.8969	4.2393	4.0390	4.0428	3.7328	4.0978	4.3336	4.0141	3.4659	4.1696	3.8375	4.9062	3.5358	3.7243	3.7085	3.2848	3.2256	3.6682	3.1852	3.2183	3.3072	3.5117	3.9155	3.4579	3.5598	3.1344	3.4394	4.0420	2.9553	3.2396	4.2792	3.7156	3.2347	3.7407	3.8061	4.1661	3.2676	3.5616	3.1340	3.6012	3.6305	3.2174	3.6604	3.3249	3.8793	3.3018	3.4937
Cytidine monophosphate	CMP	5.7075	5.2513	5.4196	5.9731	5.5795	5.4135	5.5011	5.6316	5.7266	4.6372	5.6162	5.6391	5.6503	5.4523	5.1938	5.5065	5.5941	5.4837	4.7141	5.3179	5.5734	5.4566	5.5935	5.5216	5.6604	6.0330	6.0133	5.6417	6.2358	5.6084	5.7883	5.8263	5.9885	5.7330	5.6667	5.8904	5.7850	5.4176	6.0224	5.5128	5.5150	5.7716	6.1279	6.0676	5.7278	6.0229	5.5031	5.8956	6.1179	5.7323	6.0296	5.8014	5.4939	5.8204	5.2564	5.9503	5.8400	5.9740	5.7596
Cytosine	Cytosine	4.8872	5.2042	4.6866	4.5611	4.8599	4.9028	4.7350	4.7465	5.1104	4.1393	4.4811	4.4737	4.6136	4.7123	4.4597	4.7593	4.6727	4.7652	4.8813	4.4968	4.5139	4.5143	5.0948	4.8531	4.6759	4.3044	4.7906	5.1363	4.9460	4.6931	5.0071	4.4226	4.6473	4.6619	4.9837	4.9181	4.8794	5.0081	4.4809	4.2904	4.9894	5.1693	4.5593	4.6477	4.7181	4.4813	4.8319	4.8465	4.9393	4.9299	4.9987	4.7688	4.8701	4.7067	4.4767	4.9397	4.8630	4.9318	4.8359
Decadienoylcarnitine	CAR 10:2	3.7801	4.0849	3.6191	3.9776	3.6938	3.3579	3.6312	3.7972	3.5828	4.5222	3.8223	3.3279	3.5822	3.4728	3.5798	3.4279	3.6779	4.0834	3.7247	3.3046	3.6502	3.3213	3.4142	2.9204	3.4494	3.2657	2.8945	3.6005	3.4443	4.9396	3.5019	4.6081	3.3022	3.4307	3.4783	3.3652	3.5446	4.3113	3.3261	4.3614	3.5661	3.9795	2.5977	3.9911	4.0757	3.2649	3.0979	4.0862	3.3633	3.0232	3.9201	3.8913	3.6024	3.5666	3.7129	3.2002	3.1768	4.0547	4.2449
Decanoylcarnitine	CAR 10:0	5.1160	4.9438	4.4005	5.1605	4.4174	4.6015	4.9393	4.9537	4.9818	5.8201	5.1839	4.8158	4.7094	4.5511	4.8518	4.4532	4.6986	5.4040	5.6720	4.9281	5.5193	4.7864	4.1943	4.2116	5.0523	4.4721	4.4303	5.0966	4.7537	6.1525	5.3842	5.3239	4.7010	4.6227	5.1258	5.2420	4.8496	5.4204	5.1906	5.8609	4.6101	4.9492	4.1564	5.1434	5.1395	5.2744	5.0224	5.3917	5.6479	4.6024	4.7032	5.0090	4.7051	5.3574	5.3592	4.4687	4.6178	5.5746	5.2328
Deoxyadenosine	Deoxyadenosine	3.1274	2.9108	2.6125	3.4373	2.9488	3.0028	2.7267	2.8820	2.9811	3.9256	3.0883	2.8390	2.6050	2.5914	3.2002	3.0047	3.7251	2.8039	2.8191	2.9144	2.8558	2.6864	3.0046	3.2550	2.7493	3.5985	2.8965	2.5588	3.1987	3.1394	2.8345	3.4871	3.2460	3.6292	3.3365	2.8832	2.8081	2.8501	3.6683	3.6078	2.7996	2.6688	3.0785	2.8976	3.1817	3.3345	2.8143	3.6201	4.2983	3.0561	2.7756	3.3339	2.8884	2.8394	2.7573	2.8019	3.0497	2.8671	3.1227
Deoxyadenosine monophosphate	dAMP	3.3099	3.5352	3.3157	4.0276	3.2639	3.2792	3.4374	3.5343	3.7138	4.1146	3.4352	3.6064	3.4516	3.4259	2.7680	3.5181	3.8106	3.3697	4.2945	3.3538	3.4287	3.3243	3.5144	3.2453	3.3296	3.6947	3.6533	3.6786	3.6611	3.5882	3.8756	3.1007	3.3040	3.6345	4.0953	3.7198	3.8898	3.6482	3.3837	4.4352	3.6965	3.5857	4.2188	4.0173	3.6269	3.5606	3.9881	3.8417	4.3370	4.2433	3.9148	3.9020	3.3096	3.4731	3.7409	3.7736	3.6602	3.8001	4.0248
Deoxycarnitine	3-Dehydroxycarnitine	5.5922	5.9364	5.6970	6.0104	5.9165	5.6254	5.5502	5.7692	6.1288	6.5973	5.8760	5.6949	5.7174	5.8512	5.7029	5.5611	5.9521	5.7759	6.0101	5.6437	6.4931	5.8908	5.8552	5.6456	5.5784	6.1761	5.9605	6.2072	6.0711	5.9616	5.9482	6.1878	5.9042	5.7842	6.1348	6.2259	6.2778	6.2171	5.7727	5.7837	5.8525	5.9649	6.0855	5.9249	6.0797	6.3338	6.0247	5.9640	5.7776	6.0501	6.2832	5.9821	5.9832	5.5741	6.0644	6.2564	6.0910	6.5276	6.0659
Deoxycholate	Deoxycholic acid	2.9193	3.7229	2.5501	4.0509	2.7875	2.9663	2.7815	2.3023	3.1225	2.8460	2.7382	3.4800	2.5398	3.3172	3.4345	3.3534	2.9316	3.3496	2.8415	3.5575	4.0329	3.3074	2.7406	3.5220	2.7694	4.1772	3.4686	2.6847	3.3579	2.6879	2.7091	3.0236	4.6809	4.1340	3.6047	1.9567	2.7194	3.6767	3.7701	5.0858	1.9610	3.1647	4.2066	3.7113	4.1353	2.6377	3.0342	4.0228	3.7993	3.6536	2.5298	3.2396	2.7923	2.9941	2.4141	4.9129	2.5753	3.1489	3.6256
Deoxycytidine	Deoxycytidine	3.0086	3.4152	3.3619	3.2531	2.9951	3.3871	3.3054	3.1211	3.2469	3.0161	2.9841	2.9844	3.1543	3.0218	3.0272	3.3870	3.4677	2.7149	3.4800	3.0584	3.2820	3.0828	3.5028	3.3344	3.4712	2.8843	3.1156	3.6335	3.3547	2.8748	3.2819	2.3092	3.2691	3.2309	3.1500	3.4011	3.1884	3.3395	2.5453	4.0956	3.0948	3.1489	3.0051	2.6449	3.3449	3.0094	3.0937	3.9691	3.2388	3.0558	3.0677	3.3730	3.3138	3.1782	3.0087	3.0870	3.4862	3.0639	3.4306
Deoxycytidine monophosphate	dCMP	3.9326	4.0164	3.7516	4.5921	3.8490	3.9340	3.9412	3.1731	4.3279	4.0829	3.9991	3.7358	3.6669	3.6364	4.6715	3.9072	3.7159	3.6975	4.3743	3.9720	5.8780	4.0666	3.3358	3.4515	3.6757	4.2142	3.4969	4.3437	4.1287	3.6640	4.5349	5.1426	4.2665	4.3105	4.4577	3.6957	5.0832	4.3422	4.1657	5.1573	3.6128	3.5577	3.8420	3.4424	3.9387	3.8520	5.3679	4.4374	4.5829	4.2110	3.8589	4.3586	3.8702	4.2786	6.7222	3.7923	4.2557	3.4520	4.0768
Deoxyguanosine	Deoxyguanosine	3.3797	3.1057	3.3418	4.1901	3.2088	3.3536	3.5616	3.2902	3.8124	3.5182	3.5258	3.3632	3.3944	2.9943	3.5704	3.2408	3.7753	3.3941	3.8733	3.1120	3.2629	3.1956	3.5015	3.4528	3.0722	3.7013	3.0559	3.2394	3.8344	3.3664	3.6940	2.8081	3.3604	3.5392	4.1456	3.1805	3.7621	3.1697	3.5701	4.4106	3.2216	3.4177	2.9898	3.6199	3.1761	3.3417	3.6697	3.5386	4.4957	3.3540	3.3253	3.5233	3.2222	3.2206	3.3529	2.8072	3.2760	3.2717	3.2122
Deoxyguanosine monophosphate	dGMP	6.9202	6.8068	7.2613	6.9216	7.3550	7.3394	6.9923	6.9555	7.0237	7.8333	7.1008	7.0156	6.7504	6.9505	5.9970	7.0615	6.8561	7.0436	7.7138	7.2837	7.4888	7.2406	7.1245	6.1723	6.9576	7.3971	7.1479	7.2181	6.8484	6.8969	6.7342	7.6583	6.6014	7.1298	6.8642	6.9547	7.1926	7.0299	6.8392	7.1127	6.7231	7.3125	7.1016	7.1223	6.9579	7.3960	7.3137	7.1654	7.2231	7.2953	7.0886	7.2526	7.1285	6.9122	7.3212	7.0184	7.2849	7.3319	7.3753
Deoxyinosine	Deoxyinosine	3.2119	2.6734	3.6877	4.1256	3.0515	3.8413	4.1081	3.2236	3.6436	3.0920	3.2810	3.2511	3.4298	3.0120	2.7962	3.5111	3.4392	3.0356	3.2503	3.1416	3.1069	3.2737	4.0455	2.5840	3.3865	3.4058	2.7555	3.5125	3.5127	3.6454	3.8635	3.1796	3.2236	3.4501	3.8890	3.3024	3.6451	3.1192	3.6091	4.1988	3.8474	3.6497	2.9334	3.0790	3.1864	2.7356	3.7991	3.3574	3.2366	3.0537	3.2706	2.8320	3.3809	3.1066	3.0334	2.6555	3.1971	3.3116	2.9762
Deoxyribose	Deoxyribose	2.9111	2.6535	2.6673	2.7185	2.7935	2.7864	2.8012	2.7627	2.9357	3.2350	2.6658	2.7829	2.6932	2.4619	2.7117	2.6791	3.4162	2.6035	2.8477	2.4800	2.8514	2.4660	3.0618	2.8133	2.9649	2.9459	2.7409	2.6420	2.6695	2.6344	2.8241	2.6846	2.7786	3.1449	2.8987	2.6535	2.9651	2.7786	3.0038	3.0690	2.8782	2.7620	2.7023	2.6685	2.6068	2.6222	2.6526	3.3603	2.6721	2.8522	2.8546	2.8927	2.7751	2.6520	2.7880	2.8084	2.9637	2.5529	2.8493
Deoxyuridine	Deoxyuridine	4.3195	4.5900	4.4684	4.5357	4.6324	4.3730	4.3351	4.4288	3.9628	3.9691	4.9805	4.5152	4.3191	4.3031	3.9937	4.4852	5.0415	4.6433	4.5466	4.3080	3.9020	3.8903	4.3930	4.0770	3.5576	3.9553	3.8376	3.4794	3.7365	4.0224	3.5640	3.7649	4.1673	4.0711	3.9529	3.5542	3.5413	3.5450	4.4641	4.9474	3.5872	3.6381	3.4268	3.9493	4.1020	3.9469	4.4696	4.5225	3.7907	3.6384	3.3739	4.2147	4.4421	3.3589	3.7180	3.3455	3.9638	3.4424	4.1594
Deoxyuridine monophosphate	dUMP	3.2751	3.2057	3.2354	3.4731	3.2865	3.1706	3.1925	3.3525	3.3824	4.5295	3.2596	3.3024	3.3015	3.0843	3.1197	3.3136	3.7128	3.2200	4.2942	3.2494	3.0547	3.2164	3.3001	2.9277	3.5146	3.3533	2.8313	3.2129	3.1491	2.9355	3.1996	2.9817	3.4080	3.3413	3.2242	2.9153	3.0623	3.0951	3.0895	3.9475	2.9547	3.2126	3.2959	3.0287	3.1348	3.3473	3.9496	3.7562	3.2300	3.1876	2.9665	3.6105	3.3053	2.5806	3.6046	2.8614	3.4990	2.6242	3.5188
Diacetyl	Diacetyl	3.3279	4.0730	3.2015	3.5845	3.2320	3.3718	3.1133	3.2922	3.5333	3.6979	3.1127	3.1868	3.1095	3.0837	3.1464	3.3388	4.3326	3.1658	3.8325	2.9730	3.3937	3.2317	3.6298	3.0857	3.3737	3.6711	3.2563	3.3373	3.3612	3.1442	3.1309	3.1935	3.0882	3.4208	3.3856	3.2653	3.0353	3.1325	3.4351	4.2443	3.2610	3.1899	3.2461	3.3318	3.2684	3.2334	3.6105	4.2210	3.0979	3.5446	3.3312	3.9199	3.4741	2.9028	3.2173	2.9950	3.7729	3.2882	3.7573
Diaminopimelate	2,6-Diaminopimelic acid	4.3250	4.2548	4.4352	4.1742	3.9242	4.2781	4.1950	4.0732	3.9371	3.8630	4.2158	4.1965	4.3198	4.0774	5.5264	4.1659	4.1008	4.2753	3.7352	4.2254	4.1976	4.1692	4.1468	5.7784	4.2779	4.1113	4.1752	4.4502	3.8151	4.5115	4.2639	3.7690	4.9685	4.6187	4.2410	4.0568	4.1273	4.2207	4.5474	4.4270	4.3423	4.1040	3.8857	4.4526	4.3581	5.0877	3.3861	4.0527	5.4525	4.0023	3.7963	3.7888	3.9264	3.9523	3.6645	4.3561	3.8705	3.8522	3.8405
Diethanolamine	Diethanolamine	2.6876	2.4814	2.3208	2.8909	2.7017	2.5857	2.4307	2.4115	2.8446	3.0095	2.5449	2.3126	2.2423	2.0626	1.9336	2.6043	3.5665	2.4475	2.7737	2.2022	2.3505	2.1981	3.1261	2.4740	2.6455	2.9185	2.2537	2.7477	2.1523	2.3549	3.1980	2.2157	2.3336	2.8658	2.6646	1.9643	2.6119	2.5172	2.7431	3.5403	2.1302	2.4586	2.0755	2.7680	2.2951	2.4390	2.1131	3.5062	2.6104	2.7269	1.8495	2.9966	2.3716	2.0422	2.2587	2.2501	2.9746	2.8725	2.7520
Dihydrouracil	Dihydrouracil	3.6519	3.3978	3.4189	4.0414	3.2130	3.6712	3.2940	3.4724	4.1478	3.8445	3.1992	3.2501	3.1926	3.0732	3.2482	3.5492	4.1356	3.6916	4.1773	3.0380	4.1279	3.1329	3.5973	3.1778	3.5003	3.4046	2.9152	4.2414	3.5050	3.1015	4.1110	3.4403	3.7320	3.9197	4.2235	3.3042	4.2144	3.5829	3.3657	4.6640	3.2487	3.6773	3.2860	2.9348	3.2975	3.2778	3.6124	4.6308	3.7428	3.6412	3.3210	4.2573	3.4371	3.2519	3.2523	3.6559	3.9024	3.4181	3.5659
Dimethylglycine	Dimethylglycine	4.2068	4.0209	4.1933	4.1171	4.0706	4.2576	4.2532	4.0325	4.1190	4.4205	4.1356	3.7679	4.2760	4.0777	3.9615	4.2651	4.5132	3.9624	3.9444	3.9703	3.9377	4.0445	4.4437	4.2209	4.2434	4.1848	3.8747	3.6785	3.8285	4.2966	3.9178	3.8890	4.3773	4.1143	3.9725	3.6744	3.9983	4.0204	4.2449	4.7109	3.9214	4.1283	3.9390	4.0390	4.1239	4.2458	3.8975	4.8601	4.1029	4.0611	4.2520	4.2785	4.0663	4.0055	3.9117	3.8894	4.3967	4.2575	4.0949
Docosahexaenoate	Docosahexaenoic acid	3.5460	3.0916	3.1781	2.9718	2.1093	2.2183	3.9451	3.3287	3.1578	2.8630	2.4805	3.6619	2.5750	3.3450	4.6059	3.3990	3.3021	2.8317	3.4864	3.8630	2.3472	4.8977	2.5036	5.0377	2.3772	4.4809	3.9135	2.1342	3.1969	2.2032	2.6420	2.7927	4.7232	4.6556	2.2402	2.4353	2.5074	3.5032	4.2083	4.2339	2.3302	3.6298	4.7121	4.2993	4.0848	4.0731	3.3918	2.9256	4.6607	3.3227	3.0302	3.9451	2.6350	2.9905	2.6433	4.8736	3.6047	2.2824	3.1480
Dopamine	Dopamine	3.4883	4.2152	3.2808	3.2459	2.7426	3.3234	3.2976	3.6660	3.1481	3.4604	3.6812	3.7084	3.6364	3.5147	3.8398	3.5723	3.1392	4.0682	3.2893	3.9101	3.4327	3.7198	3.1405	3.7280	3.0051	3.6079	4.0437	3.7640	3.7257	3.8935	3.6356	3.8224	3.7310	3.6586	3.5536	4.0377	3.6219	3.5042	4.2025	3.6047	3.8476	4.1742	3.8140	3.7655	3.9539	4.1223	3.6303	3.4118	3.5294	3.9292	3.7562	3.0810	3.4775	4.1644	3.4239	4.1237	2.9076	3.6103	3.6430
Eicosapentaenoate	Eicosapentaenoic acid	2.5304	2.2265	2.3847	2.0504	1.6269	1.2949	3.0278	2.3283	2.4866	2.5947	2.0181	2.7743	1.8887	2.4909	3.7323	2.4695	2.6922	1.9409	3.3911	2.8113	1.7284	3.8359	2.1735	4.0831	1.4928	3.5663	3.1938	1.0085	2.0090	1.6535	1.8210	2.3196	4.1177	3.7136	1.7920	1.7506	1.9128	2.7432	3.4124	3.2161	1.5420	2.9655	4.0452	3.8028	3.4402	3.4845	2.8453	2.2798	3.1000	2.9612	2.7107	2.8565	1.7935	2.4916	2.3801	3.7958	2.6204	1.7260	2.6149
Erythrose 4-phosphate	Erythrose 4-phosphate	3.6572	3.4902	3.4791	3.5588	3.7007	3.4967	3.6220	3.8329	3.9368	4.4545	3.4152	3.5007	3.6975	3.4580	3.0514	3.6081	4.4302	3.4066	4.8035	3.4313	3.8318	3.4468	3.9567	3.3395	4.0619	3.4725	3.8500	3.9644	3.8522	3.5916	3.5177	3.7919	3.3829	3.4291	3.8347	4.1188	4.1441	4.1439	3.4437	3.9710	3.5291	3.7373	3.5319	3.7464	3.5940	3.4553	4.6021	3.9268	3.6445	3.6868	3.5400	3.7665	3.4987	3.8226	4.3228	3.5739	3.9180	3.6436	3.8477
Ethylmalonate	Ethylmalonic acid	4.2373	4.2260	3.7200	3.5364	4.0722	3.7952	3.5531	3.8501	3.5245	4.2566	3.6218	3.6815	3.9060	3.6481	4.2381	3.7596	3.9092	4.0469	4.3390	3.9850	3.7965	3.8777	3.5947	4.0954	3.5887	4.0537	3.8034	3.1887	3.2633	3.6203	3.2640	3.6819	4.1273	4.2181	3.4313	3.3847	3.1640	3.6620	3.8658	4.2295	3.4496	3.8348	3.0393	4.0393	4.1820	3.7774	3.9805	3.7248	4.4120	3.4482	3.5446	3.7025	3.6278	3.5888	3.4561	3.5496	3.5087	3.3734	3.5613
FA (16:0)	Palmitic acid	3.1240	3.0360	3.0680	3.4878	3.0540	3.0752	2.8819	3.1520	3.4123	2.6272	2.9830	3.1960	2.9473	2.8840	3.2864	3.0675	4.2691	3.0055	3.2149	3.0662	2.2156	3.4697	3.3871	4.1396	3.1755	3.7758	4.1559	3.0208	3.2094	2.7857	2.8726	3.1151	4.6126	3.7486	3.1510	2.9370	3.0996	3.2754	4.0294	3.8304	2.8208	3.0703	3.6330	4.2845	3.7194	3.6354	2.8960	3.7703	4.1693	3.3637	3.3574	3.5679	3.2296	3.0582	2.3335	3.9817	3.3223	3.0520	3.3151
FA (18:1)	Octadecenoic acid	2.9903	2.5150	2.4675	3.2252	2.4006	2.4336	2.9387	3.0294	4.2031	2.3701	2.3618	3.0564	2.5717	2.6787	3.8736	2.6234	4.3757	2.4928	3.0221	2.9796	2.2475	4.3355	3.0332	4.7216	2.6186	4.6487	4.9152	2.7226	3.4459	2.4326	2.6403	2.6209	5.2534	4.3335	2.6731	2.4568	2.8072	3.3868	4.4836	3.9951	2.2338	3.5263	4.5146	5.2837	4.4942	4.5716	3.1284	3.3569	4.7642	3.4385	3.5517	3.4931	2.4988	3.4356	2.6236	4.6945	3.2169	2.6309	3.5343
FAD	FAD	5.5941	5.6824	6.4603	4.9703	6.0012	6.2143	6.0552	6.3772	5.0148	4.3908	6.3817	6.5392	6.6697	6.3047	4.4961	6.3632	4.9403	6.5393	5.0312	6.3513	4.1089	6.1715	6.1568	4.8297	5.9494	4.7385	5.2200	5.4391	5.0052	5.3709	5.2648	4.4567	4.3695	4.8278	5.1864	6.1226	5.6090	4.7760	5.2817	5.1686	5.5806	5.0898	3.7100	4.9376	4.9815	4.9303	4.5845	5.0878	4.9930	5.0039	5.2939	4.7032	5.8021	5.1481	4.6555	4.4193	4.9974	5.4464	5.0924
Ferulate	trans-Ferulic acid	3.0713	3.4625	3.2691	3.6787	3.4481	3.6096	3.3056	3.3632	3.5435	3.6676	3.4066	3.1472	3.2640	3.2242	2.9223	3.2990	4.0106	3.2045	4.1461	3.0042	3.2292	2.9513	3.4536	2.8472	3.5399	3.0482	2.8699	2.9861	3.0998	2.8988	3.2457	2.9303	2.8397	3.0202	3.3004	3.0656	3.3787	3.1624	2.8750	3.8867	2.9217	3.1211	2.6364	2.8837	2.9577	2.7532	3.7857	3.8716	3.0547	3.1582	3.1575	3.4159	3.3305	2.9036	3.3327	2.7057	3.0081	3.2606	3.5712
Folate	Folic acid	3.4965	3.3633	3.0638	3.1423	2.9684	3.1441	3.3800	3.0787	3.1975	3.8295	3.2570	3.2068	3.2924	3.0223	3.7113	3.0530	3.6582	3.1929	4.1377	3.1162	3.1849	2.9119	3.6369	3.1100	3.0535	3.2851	2.8079	2.7323	2.8498	3.1182	2.9927	3.2559	3.0334	3.6065	3.1170	2.8178	2.9098	3.0701	3.4292	3.6349	3.3713	2.9053	2.9093	3.0136	3.1972	3.0687	4.1065	3.0453	3.1634	2.9537	3.1286	3.4464	3.2724	2.9695	4.5233	3.3055	3.1334	2.9842	3.1447
Fructose 1_6-bisphophate		5.4580	5.5193	5.4317	5.4307	5.5234	5.3504	5.3430	5.4123	5.8652	5.2395	5.6450	5.8152	5.5383	5.4589	5.1726	5.5896	5.5866	5.7844	5.5916	5.4164	5.2824	5.4947	5.4560	5.6956	5.4612	6.0676	6.6986	6.8281	6.6387	6.3540	6.0803	5.5848	6.0742	5.8780	5.9414	6.7777	6.3708	6.7222	5.8799	5.3590	5.9450	6.3062	5.5639	6.5761	6.5737	6.2376	5.4464	5.8338	6.1272	6.7444	6.7924	6.2925	5.8167	6.4911	5.0316	6.7360	6.5151	6.1128	6.0596
Fructose 6-phosphate	Fructose 6-phosphate	4.8395	4.7283	4.7398	4.4610	4.8114	4.7633	4.7466	4.7112	4.9305	4.4400	4.7831	4.9774	4.8597	4.6863	5.2884	4.8373	5.0030	4.8781	5.0723	4.5603	4.5584	4.6665	4.9939	5.0511	4.7404	5.0236	5.2011	5.6686	5.6597	5.1840	5.1395	5.2848	4.9448	5.1330	4.6690	5.7390	5.6143	5.5262	4.8765	4.6986	5.6137	5.2654	4.9652	5.0868	5.2124	5.2920	4.9272	5.1162	5.2836	5.1719	5.5161	5.1777	4.9066	5.3395	4.4193	5.1914	5.1103	4.6879	5.1096
Fumarate	Fumaric acid	5.1168	5.2413	5.0738	4.5987	5.1011	4.9297	5.0761	5.3693	4.6049	4.5742	5.2627	5.3895	4.7759	4.9382	4.9060	5.0607	4.9979	4.7656	4.6475	5.3189	4.3555	5.3280	5.0402	5.0500	4.9297	4.5231	5.0413	3.8351	4.7265	4.2801	3.9847	4.2357	4.9082	4.7471	4.7149	3.8968	4.2048	4.6902	5.4042	4.7652	3.8898	4.9183	4.9748	5.2053	5.1350	4.6482	4.4119	5.0526	4.6235	4.4354	4.3095	4.6214	4.9460	4.2137	4.7055	4.5406	5.1774	4.7175	4.9100
Gamma-linoleonate		1.8878	1.6497	1.3245	1.7721	1.5642	1.6890	2.0348	1.3647	2.4805	2.0103	1.5594	1.8806	1.4776	1.4100	2.8879	1.7769	2.7558	1.4951	2.6244	2.1673	2.0004	3.1210	1.6478	3.1311	1.3854	3.4680	3.2589	1.6812	2.3076	1.7935	1.4019	2.0725	4.0318	3.3416	1.6131	0.6789	1.4056	2.1617	3.1560	2.9349	1.2622	2.0010	3.3557	3.8501	3.0791	3.0940	2.7632	2.0272	3.2280	2.3829	2.0216	2.2646	1.5793	2.1883	2.1477	3.2793	2.4678	1.4791	2.3238
Gluconate	Gluconic acid	7.7963	7.4952	7.4286	7.5369	7.6300	7.3811	7.3115	7.7581	7.1763	7.8825	7.5414	7.5725	7.2636	7.5308	7.4428	7.4344	7.4011	7.7593	7.3160	7.3275	7.8031	7.2412	7.0191	7.5150	7.5527	7.3186	7.4505	7.0088	7.1023	6.8972	7.3580	7.4601	7.0597	7.1982	6.1216	7.2869	7.3549	7.0173	6.9438	7.5505	6.6553	7.2712	7.2686	6.9967	6.9005	7.0060	7.5491	7.4252	7.2747	7.1321	6.9677	7.3932	7.3156	7.0865	7.3986	6.5203	6.8845	6.9373	6.8692
Gluconolactone	Gluconolactone	4.1555	4.3542	3.8502	4.0373	3.9975	3.9896	3.7449	4.1530	3.8265	4.6913	4.0205	4.0191	3.5051	3.9485	3.6747	3.9957	4.4146	4.1961	3.8105	3.7177	3.7747	3.5877	3.8209	3.7776	3.9697	4.0014	3.7331	3.6106	3.6862	3.5046	3.6420	3.4539	3.5385	3.8151	3.4685	3.6021	3.7751	3.3002	3.4208	4.3721	3.5005	3.5967	3.6887	3.6685	3.6338	3.4414	3.6197	4.2541	3.8678	3.8329	3.3580	4.1387	3.9841	3.3829	3.0950	3.3055	3.7058	3.4218	3.4813
Glucosamine 6-phosphate	Glucosamine 6-phosphate	4.0180	4.2910	4.3768	4.2934	4.0998	4.2876	4.3921	3.9043	4.3024	5.0266	3.9353	4.1536	4.1829	4.0590	4.0810	4.3488	4.0547	4.0832	5.5947	4.1631	5.0473	4.1128	3.9781	4.1408	4.1643	4.3748	4.2848	4.6198	4.3361	4.4964	3.9245	4.6283	4.0887	4.1719	4.9126	4.2816	4.1206	4.5132	4.3343	4.6085	4.0688	4.0966	3.7678	4.2629	4.1456	4.0945	5.4897	4.6370	4.6183	4.4421	4.4013	4.5116	4.2573	3.7317	5.8346	4.0765	4.2985	3.6542	4.7348
Glucosamine 6-sulfate	Glucosamine 6-sulfate	3.5827	3.6362	4.0099	3.7545	3.5298	3.8470	3.8471	3.5365	3.9688	4.8544	3.4708	3.5892	3.4876	3.4332	3.6183	3.7562	3.4911	3.5098	6.0398	3.7928	4.2519	3.6432	3.2921	3.7816	3.5187	4.2298	3.8857	4.2593	3.8130	3.6371	3.2470	3.9732	3.6794	3.7815	4.1420	3.7069	3.4031	4.0460	3.6553	4.4417	3.9406	3.6332	3.3304	3.6223	3.5400	3.4944	5.8301	4.2979	3.7327	3.9873	3.8795	4.2615	3.5777	3.3270	5.8321	3.5989	3.9447	3.0904	4.1724
Glucuronate	Glucuronic acid	5.5939	5.8255	4.9456	5.0334	5.0402	4.7439	5.0640	5.2263	4.7802	4.1464	5.3221	5.3110	4.9044	4.9525	5.6203	4.9109	5.0885	5.2429	4.2940	4.7675	4.4141	4.7371	4.4048	5.2268	4.9883	4.3346	5.0275	4.3896	4.0004	4.7065	4.6137	4.0127	4.2264	4.5684	4.1467	4.7454	4.8128	4.2876	4.3385	4.7179	4.1371	4.3561	3.9441	4.5036	4.1031	4.0136	3.9219	4.7310	4.3797	4.4076	4.2186	4.2739	5.3514	4.2747	3.7593	4.0191	4.4164	4.1357	3.9854
Glucuronolactone	Glucuronolactone	2.6106	3.0171	2.4184	3.3180	3.1816	3.1619	2.5401	2.5634	3.1960	2.9643	2.7469	2.5553	2.5338	2.5912	2.5107	2.9118	3.1172	3.1914	2.6166	2.6531	2.8605	2.5229	3.0059	2.4172	2.8296	3.5118	3.4177	3.2503	2.9365	4.1789	3.1578	3.1986	2.7483	3.1565	3.2198	3.5100	3.1372	3.2957	2.6376	2.5481	4.1228	2.9281	3.5513	3.0447	3.3031	2.7908	3.0125	3.5719	3.4118	3.2258	3.4893	3.1117	3.4311	3.3401	2.9421	3.3005	3.4948	3.4158	3.5040
Glutamate	Glutamic acid	6.7178	6.7122	6.8487	6.5161	6.7904	6.6221	6.8525	6.6163	6.7867	6.9073	6.6662	6.7938	6.8899	6.7297	6.9044	6.8148	6.4360	6.4958	7.3009	6.8437	6.5644	6.8658	6.7927	6.7954	6.8560	6.7766	6.9369	7.0110	7.0359	6.8764	6.7823	6.8684	6.8308	6.7975	6.8958	6.8271	6.7898	7.0218	6.8759	7.1152	6.8930	6.8789	7.0556	7.0292	6.9501	6.8490	6.8871	6.7542	6.7674	7.1394	6.9975	7.0213	6.7144	6.9588	7.0564	6.9529	7.1084	6.9806	6.8885
Glutamine	Glutamine	5.2415	4.9117	5.1263	5.8499	4.8631	5.1392	5.0421	5.1709	5.7940	6.2705	4.9294	5.0683	4.9204	4.8113	6.0901	4.9645	6.3263	5.1459	5.9922	5.1209	5.9199	5.1153	5.4412	5.9451	5.0275	5.9160	6.3855	5.3569	5.5903	5.3590	5.8328	5.6142	5.9312	6.3079	5.5411	4.9935	5.1460	5.5589	5.7747	6.1100	5.1361	5.5310	6.2006	5.7378	5.8888	6.0784	6.0658	6.0841	5.8888	5.9415	5.9187	6.2314	5.3335	5.9166	5.5624	5.8965	6.0919	5.8254	6.0026
Glutarate	Glutaric acid	4.4711	4.3229	4.4002	4.3847	4.3281	4.4256	4.3523	4.5851	4.6751	4.3058	4.4666	4.5575	4.7593	4.6233	4.2438	4.5606	5.1879	4.5238	4.4125	4.6185	4.7237	4.6011	4.5071	4.1305	4.4830	5.0188	4.7869	5.0499	5.1440	4.9391	4.3034	4.6417	4.7298	4.7767	4.6956	4.8578	4.6519	4.9353	4.5884	5.0436	4.8085	4.3659	4.4694	4.7677	4.8479	5.1183	4.6382	4.7121	4.5188	5.0084	4.6839	4.5338	4.3876	4.5396	4.0128	4.6248	4.6455	4.5720	4.9263
Glutathione	Glutathione	3.4455	3.7814	3.2566	3.7994	4.7760	3.6210	3.2028	3.5499	6.1487	3.5978	3.3880	3.6283	3.5382	3.2569	3.3463	3.4352	4.3437	4.4203	3.7999	3.0127	6.4348	2.9324	3.7455	3.1311	4.3417	4.7236	4.9348	7.0041	3.9082	5.5795	6.6252	6.0877	3.3336	4.3445	5.2144	4.7930	7.1002	6.3988	3.3031	3.9739	5.1376	5.1522	5.5158	4.7066	5.1043	5.1545	4.0192	4.2834	4.6806	6.2639	5.9389	4.5083	5.1826	6.1493	6.3555	5.6098	3.9492	5.1362	4.4725
Glutathione disulfide	Oxidized glutathione	4.0916	3.7916	3.4950	7.3043	6.2449	4.3058	4.0826	4.0891	7.3025	7.1202	4.0895	4.0212	4.8398	3.6684	3.8270	3.8874	6.3718	7.4666	7.2293	3.5865	7.3331	3.4779	5.5319	3.7952	6.5178	7.5270	7.6862	7.5853	7.6583	7.5313	7.7533	7.5526	3.9725	7.7878	7.3465	7.7608	7.9166	7.4695	4.8153	4.6576	7.6992	7.6284	7.6236	6.9043	7.5444	7.9972	7.4469	7.2484	6.8933	8.1144	7.7397	7.8672	6.3067	7.8602	7.2975	7.6404	7.3022	7.5917	7.6791
Glyceraldehyde 3-phosphate	Glyceraldehyde 3-phosphate	4.5542	4.9056	4.6796	4.5999	4.3051	4.3947	4.3080	4.3537	4.3881	5.0633	4.3570	4.5751	4.2799	4.2536	4.4013	4.3821	4.3971	4.4942	5.5363	4.4634	4.4987	4.6423	3.9996	4.2504	4.2333	4.3521	4.7607	5.0600	5.1793	4.7980	4.5271	5.0058	4.7756	4.5632	4.8314	5.0606	4.9994	4.7690	4.7047	4.9377	4.5091	4.4834	4.4309	4.7004	4.7617	5.3336	5.5141	5.2785	5.0282	4.8895	4.9069	4.8556	4.5835	5.1158	4.9886	4.8049	4.7865	5.0068	4.5694
Glycerate	Glyceric acid	4.3375	4.5032	4.6578	4.6533	4.1809	4.3437	4.3841	4.6203	4.4441	4.6542	4.4647	4.5067	4.4361	4.3531	4.4623	4.5088	5.2308	4.3062	4.5097	4.6368	4.6001	4.4074	4.4584	4.9683	4.1717	5.0466	5.1643	4.6915	4.7388	5.1606	4.6086	4.6107	4.9666	4.9744	4.7143	4.7393	4.6826	4.8484	4.8010	5.0539	4.7414	4.5290	4.6590	5.0889	4.6893	4.8343	4.5388	4.8082	5.1693	4.6001	4.4468	4.6521	4.2435	4.8293	4.2503	4.7114	4.9811	4.1704	4.7308
Glycerol 3-phosphate	sn-Glycero-3-phosphate	5.9504	5.6715	5.6728	4.5518	5.6534	5.5719	5.7378	5.7404	5.2090	4.5990	5.8825	5.9551	5.8102	5.8020	5.8666	5.7575	4.8634	5.8020	4.6219	5.7123	4.9910	5.8458	5.5226	5.7156	5.7786	4.9939	5.4393	5.2496	5.1972	4.8450	4.9458	5.5415	5.4392	5.0737	4.7577	5.6979	4.6606	5.4438	4.9369	4.9724	5.7715	5.4161	5.0247	5.3406	5.5466	4.8597	4.4857	5.0102	5.2608	5.3748	5.3809	4.7422	5.4544	5.2121	4.9319	5.5072	4.8786	5.4195	5.1544
Glycerophosphocholine	sn-Glycero-3-phosphocholine	6.0737	6.7595	6.5186	5.7142	6.7804	6.4397	6.4384	6.4596	6.5146	7.0669	6.4556	6.3306	6.4351	6.5123	6.5029	6.4051	6.2063	6.3380	6.1245	6.1377	7.0921	6.3336	6.2481	6.2216	6.5428	6.4667	6.4151	7.0852	7.0134	6.9980	6.1623	6.7734	6.4402	5.5928	6.5274	6.6751	6.3313	6.8949	6.0302	5.7370	7.2114	6.3687	6.4844	6.5790	6.5153	6.2131	6.1396	5.7546	6.3383	6.6201	7.0960	6.4408	6.5065	7.0689	6.0930	6.6573	7.0780	6.7549	6.4157
Glycine	Glycine	3.0235	3.2130	3.0848	3.6031	3.0135	3.0674	3.1740	2.9451	3.3751	3.3799	3.1271	3.1576	3.1581	2.8974	3.4127	3.1331	3.7420	2.8928	3.7998	3.0024	3.4770	3.0557	3.1942	3.0669	3.3718	3.3970	3.1939	3.1938	3.1788	2.8558	3.1166	3.0916	3.4068	3.5157	3.4696	2.9652	3.2453	2.9622	3.1311	3.9496	3.1331	3.2202	3.0663	3.2268	3.1550	3.2585	3.4148	3.6493	3.4042	3.4335	2.9582	3.6632	3.1946	2.9237	3.2026	3.1586	3.4491	2.9553	3.5804
Glycochenodeoxycholate	Glycochenodeoxycholic acid	3.2020	4.0355	3.8779	5.4618	2.7481	3.9849	3.8529	4.3321	4.1888	3.2844	4.2557	4.1388	3.2120	3.6507	4.7135	4.0360	6.3459	4.0600	3.4569	4.1858	4.6561	4.0078	4.1061	4.1169	3.0806	5.5696	3.7147	2.9571	4.3261	5.4300	3.9955	3.1778	5.1593	5.4226	4.8069	3.5913	3.9001	3.9038	4.9481	6.6206	3.0232	3.9313	3.9300	5.0662	4.7705	6.3773	4.5895	5.8266	4.7743	4.0182	3.6503	5.0902	3.5450	3.7345	2.6713	4.6550	3.6315	4.0855	5.4282
Glycocholate	Glycocholic acid	3.8619	4.5418	4.1867	5.8049	3.4258	5.1569	3.8979	4.3767	4.3706	3.3937	5.5272	4.4491	4.1786	4.7050	4.8632	4.7325	5.9640	4.8196	3.9592	4.5533	4.4971	4.3374	4.7527	4.3880	3.9237	4.9147	3.4585	3.2906	4.2021	5.9329	4.8847	2.8022	5.3942	4.6393	4.7221	3.4425	3.9111	3.2688	5.1994	6.6208	3.4445	3.5995	3.9101	4.6976	4.6204	5.9164	3.8785	5.2604	4.8962	3.4926	3.4950	5.1310	4.1135	3.8822	3.3258	4.0796	3.5090	4.2366	5.0800
Glycodeoxycholate	Glycodeoxycholic acid	3.3101	4.4907	3.7468	5.3857	2.9532	3.9544	3.7560	2.6639	3.2403	3.0499	3.9657	3.9817	3.1580	4.4454	4.6866	4.2709	3.9564	4.3718	3.5140	4.0618	3.9715	3.8593	3.8547	4.0957	3.1650	4.8894	3.7501	3.1579	3.9841	4.9607	3.8039	2.9233	5.0089	5.0021	4.7542	2.2051	2.9571	4.1049	4.3908	6.2667	2.6941	3.3718	4.5689	4.7222	4.7922	3.2556	4.3490	5.2995	4.6006	3.7744	3.1537	4.6978	3.0549	3.4581	2.7183	5.3551	2.7181	3.7337	4.8334
Glycolate	Glycolic acid	4.0893	4.2781	3.9075	3.9586	3.8245	3.9073	3.8550	4.0157	3.9300	4.3810	3.8573	3.9566	3.8274	3.8309	3.9650	4.0045	4.0801	4.1822	4.3507	3.9322	3.9925	3.9197	3.9123	3.8150	3.7938	4.1632	4.3044	4.0940	4.1347	3.9658	3.7027	4.3926	3.7714	4.0660	4.0905	4.0064	4.0533	3.7887	3.7659	4.2240	3.8265	3.7946	4.1583	4.0555	3.9903	3.7739	4.2799	4.0562	4.0406	4.4094	3.8062	4.1446	3.8818	4.0038	4.0307	4.0681	4.1293	3.6309	4.0970
Glycolithocholate	Glycolithocholic acid	2.3669	2.5372	1.8419	3.1934	2.1511	2.1274	2.1706	1.9259	2.7159	3.1042	2.2737	2.5158	2.0010	1.9250	3.1352	2.6535	3.4277	2.2959	3.3541	2.4368	3.1162	2.8127	2.2204	3.0456	2.0172	3.5253	3.0700	1.7125	2.4482	2.0785	2.3001	2.9979	3.8933	3.9356	2.3297	1.7449	2.2918	2.5045	3.5246	4.7770	1.7982	2.5430	3.2463	3.4616	3.6773	3.3878	2.7702	2.9369	4.0069	3.0845	1.8692	3.1715	1.7485	2.0644	2.5643	3.5459	2.6967	2.2164	3.0868
Glycoursodeoxycholate	Glycoursodeoxycholic acid	2.8178	3.5267	3.2538	3.3901	2.7048	3.6462	3.0401	4.1398	3.5768	3.1137	3.5367	2.8687	2.9773	3.8354	3.5295	3.1352	5.6805	3.5544	3.3182	3.1017	3.0437	3.2196	3.3472	3.1250	3.3084	3.8547	2.6984	2.6557	3.4471	3.8693	2.4181	2.8340	4.3449	4.0167	3.5664	3.3067	3.3201	3.2857	3.8745	4.4347	2.5503	3.6333	3.4610	3.7196	3.5959	5.4990	3.2329	4.6110	3.3932	3.6391	3.2420	4.7879	2.9108	2.6772	2.8790	4.1884	3.6825	3.3494	4.3654
Glyoxylate	Glyoxylic acid	3.5018	3.7113	2.9660	3.3221	3.1410	3.0556	3.1845	3.2734	3.2126	3.4145	3.2887	3.3545	3.0387	3.0244	3.3971	3.1356	3.6120	3.3059	3.9271	2.8904	3.0622	2.8699	3.1267	3.1864	3.1933	3.1384	3.0684	2.9364	2.7558	2.8895	2.8283	3.0425	2.7365	2.9256	2.9626	2.9810	3.2055	3.0354	2.8323	3.5421	2.7063	2.8167	2.6202	2.8769	2.7527	2.8876	3.6367	3.4882	2.9706	2.9367	2.8341	3.0267	3.3132	2.8801	3.4792	2.7566	3.1290	2.9002	2.8048
Guanidinoacetate	Guanidoacetic acid	5.0646	4.9200	5.4089	4.0690	5.2675	5.5614	5.7060	5.4264	4.4088	6.2762	5.2143	5.2788	5.4482	5.5618	5.3272	5.5328	4.8818	5.0615	4.3727	5.3978	5.4722	5.2376	5.2992	4.8854	5.4894	4.7895	4.9519	3.9784	5.0076	4.8534	3.9691	5.1451	5.0491	4.6791	4.4932	4.5447	4.5128	5.0251	4.7821	4.8901	4.8831	4.2403	4.6546	4.7659	4.7837	4.5995	4.3497	4.7704	4.3078	4.4668	5.3249	4.7348	4.9459	4.6140	4.7315	4.4912	5.0383	4.6162	4.8238
Guanidinosuccinate	Guanidinosuccinic acid	4.0817	5.3530	3.5391	3.6795	4.0016	4.1461	3.7029	4.4109	3.7127	3.8363	3.8551	4.0228	3.8159	3.8504	3.9383	4.1709	3.7138	4.0027	3.9134	3.8118	3.5281	3.6588	3.7646	3.6968	3.7205	3.3206	3.2895	3.6371	2.9948	3.2298	3.3420	3.2237	3.4030	3.1260	3.2882	2.8134	3.0862	3.3126	2.9982	3.7960	3.3828	3.0673	3.0173	3.2063	3.2962	3.0634	3.7309	3.5131	3.1126	3.0102	2.9789	3.3932	4.3411	2.9904	3.2502	2.7999	3.4862	3.1596	3.1633
Guanine	Guanine	5.3073	5.5738	5.3935	5.5038	5.7131	5.6832	5.5757	5.5987	5.5262	5.2696	5.7879	5.6432	5.3776	5.6530	4.8297	5.6776	5.4150	5.6960	5.5379	5.4302	5.0878	5.4838	5.6081	4.7401	5.5473	5.9350	5.5445	5.3300	5.3513	5.6680	5.4169	5.3631	5.3547	5.0090	5.6342	5.2050	5.3959	5.4895	5.5195	5.3705	5.5249	5.4467	5.7055	5.7337	5.3806	5.5599	5.2511	5.6078	5.5864	5.6019	5.7894	5.2137	5.6539	5.1613	5.2591	5.4591	5.5392	5.8126	5.5091
Guanosine	Guanosine	6.3716	5.0181	5.4251	5.8209	5.1694	5.2867	5.4278	5.3679	6.4507	4.7749	5.5852	5.4886	5.4619	5.4827	6.5028	5.2831	6.3593	5.4470	5.0216	5.5085	5.5808	5.5421	5.2166	6.1411	5.3381	6.3176	5.4071	5.3645	5.8512	5.7237	5.3921	5.6228	6.3087	6.5620	6.4278	5.3129	5.6489	5.3944	6.6162	5.9350	5.2892	6.1686	5.3762	5.6964	5.3906	6.3598	4.3321	5.5968	6.2581	5.2351	5.7625	5.4664	5.5268	5.2313	4.2064	5.2852	5.1630	5.2346	5.6163
Guanosine monophosphate	GMP	6.3117	6.6228	6.3754	6.7303	6.7487	6.6203	6.4469	6.4812	6.6132	7.0234	6.7881	6.9997	6.3482	6.8639	5.6773	6.7093	5.7560	6.8570	6.9284	6.3124	6.8640	6.3477	6.6814	5.7923	6.4448	7.0137	6.5862	6.4033	5.9203	6.5623	6.2576	7.2107	6.2162	6.3406	6.9729	6.2806	6.4017	6.5531	6.3898	6.4482	6.2781	6.4837	6.6795	6.7216	6.3497	6.5396	6.3781	6.5592	6.7189	6.5162	6.7426	6.2470	6.6583	6.0917	6.5012	6.4487	6.6356	6.7354	6.4427
Gulonolactone	L-Gulonolactone	4.7928	4.6440	4.5152	4.6714	4.6999	4.4903	4.4051	4.8429	4.2521	4.2452	4.5925	4.6943	4.3002	4.5816	4.5059	4.4661	4.8027	4.9331	4.4061	4.4093	4.4021	4.3554	4.2290	4.5201	4.6683	4.5315	4.4127	4.1018	4.2243	4.2514	4.3836	4.3000	4.1596	4.3479	3.6885	4.4550	4.5159	4.1464	4.0343	4.7414	4.2316	4.2660	4.4146	4.2097	4.1141	4.1177	4.0720	4.6122	4.3148	4.3885	4.1327	4.5416	4.5258	4.2800	3.7659	3.9737	4.2889	4.1615	4.0569
Heptadecanoate	Margaric acid	2.1112	1.9178	2.0974	2.5869	2.3257	2.0599	2.1198	2.2618	2.5494	2.5920	2.0226	2.4266	2.2529	1.8766	1.9316	2.1458	3.3229	2.0066	2.9833	1.8381	2.2665	2.1358	2.4502	2.4905	2.0959	2.6369	2.5640	2.0745	2.2362	2.1663	2.0656	2.4178	2.9037	2.7270	2.1266	1.9861	2.0220	2.2722	2.2068	3.0649	1.9212	2.1930	2.4619	2.9575	2.4606	2.6455	2.5296	3.0274	2.7524	2.4753	2.4211	2.7741	1.9806	2.0790	2.5437	2.5903	2.6508	2.1354	2.2105
Hexosamines	Glucosamine	2.9677	2.5120	2.5901	2.8805	2.9966	2.7476	2.7829	2.8018	3.0908	2.8490	2.4769	2.6797	2.4265	2.2567	2.7122	2.7541	3.9398	2.3570	2.6027	2.2711	2.3742	2.5324	3.1877	2.4694	2.7547	2.9733	2.7465	2.4684	2.7595	2.7865	4.0611	2.5918	2.9529	3.1781	2.3598	2.5445	2.7543	2.6390	2.9524	3.1864	2.9393	2.9784	2.7276	2.7506	2.9466	2.4863	2.6367	3.2581	2.4441	2.8173	2.8209	3.1934	2.7585	2.4428	2.7782	2.5075	3.2108	2.8603	2.7929
Hexose	Hexose	4.9592	4.8438	4.7785	4.4804	5.0852	4.7528	4.6352	4.4235	5.2008	4.9225	4.5063	4.6309	4.6127	4.5485	4.4395	4.7834	5.9695	4.7150	3.9878	4.6141	5.1095	4.5824	5.2046	4.7270	4.9489	4.8511	3.9219	4.9941	4.0209	4.2614	4.4839	3.9645	4.1248	4.6170	4.5878	4.7432	4.9350	4.3102	4.5551	4.3932	3.8291	4.4030	3.7087	4.6000	3.9517	4.3006	3.7396	5.4285	4.5427	5.0453	3.8026	5.1399	5.2111	4.1428	3.3461	4.0710	4.8923	4.0676	4.5995
Hippurate	Hippuric acid	6.4791	7.4670	7.1659	5.7956	7.0910	6.8684	6.2834	7.2289	5.5039	7.3216	7.1869	7.1202	6.4325	6.9983	6.8926	6.8914	5.7443	7.4104	6.2111	5.5862	7.0990	7.2397	6.3568	7.0191	6.4219	5.0286	4.5910	5.0498	5.6663	5.1294	5.8065	5.6565	5.4817	5.1151	5.6394	5.5149	5.0874	5.6986	6.0091	7.0047	5.9690	5.1723	5.0968	4.6586	5.0209	4.6053	5.8977	6.1646	5.6783	4.8967	4.3795	5.4124	7.4281	3.8894	5.3820	4.2264	4.6414	5.8653	6.0046
Histamine	Histamine	5.8304	4.1630	3.7119	4.7326	4.7710	5.2186	4.5192	4.9565	6.2091	5.2497	4.8111	5.0851	5.2859	4.6224	4.2554	4.6461	5.6850	4.6918	6.3412	5.3460	4.7431	4.6239	5.0712	4.7669	5.6866	6.0582	5.1531	4.3008	5.5140	4.4534	5.8457	5.7668	5.5689	5.4077	5.5536	4.8602	4.7378	5.4635	5.7474	4.2202	5.0672	5.9820	5.1942	5.4423	5.8125	5.9207	5.1311	5.2615	5.1008	5.9016	5.9376	5.4370	5.4365	4.9821	5.0801	4.8304	5.7270	5.4879	5.8601
Histidine	Histidine	4.5877	4.6715	4.6608	4.5297	4.7692	4.6937	4.6042	4.7322	4.6109	4.3795	4.5220	4.5726	4.5809	4.5918	5.3750	4.6555	4.7362	4.4147	4.5958	4.5151	4.3332	4.5867	4.7371	5.1077	4.7335	4.4829	4.7405	4.4519	4.4800	4.4450	4.4838	4.3565	4.5485	4.3503	4.5876	4.4367	4.3249	4.6448	4.1448	4.9556	4.5096	4.6095	4.4912	4.5145	4.6394	4.3655	4.4669	4.7859	4.4416	4.4771	4.4928	4.7196	4.5989	4.4048	4.6742	4.6681	4.8044	4.5722	4.4271
Homocysteine	Homocysteine	3.2843	2.9911	2.8273	3.0986	2.7733	3.0181	2.8006	2.7570	2.8883	3.4001	2.9650	2.7148	2.9000	2.8245	2.8423	2.8836	3.4432	3.0260	2.9014	2.9486	3.0206	2.9084	2.9431	3.1834	2.8157	3.6366	2.7933	3.1025	2.8097	2.9385	2.9445	2.8187	3.1389	3.3624	3.3145	2.7418	3.0224	2.8898	3.3807	3.3643	2.8782	2.9062	2.7608	2.6618	2.9063	2.7566	2.8688	3.2808	3.4371	2.9544	3.2502	3.0750	2.9113	2.6691	2.9388	2.9837	2.8420	3.1904	2.9884
Homogentisate	Homogentisic acid	3.9109	5.5604	3.7209	4.0774	4.2995	3.9513	3.6960	4.0809	3.9165	4.4703	3.9087	4.0153	4.1000	4.1365	3.7247	4.0118	4.6439	4.0603	4.5990	3.8216	4.0626	3.7742	3.9667	2.8179	4.0182	3.2687	2.9651	4.6713	3.0730	4.1143	3.5537	3.3695	2.9729	3.2239	3.7747	3.3754	3.6336	3.0841	3.0656	4.6479	3.5412	3.4955	3.2834	2.9476	3.1946	3.2139	4.5632	4.4208	2.8802	3.5129	3.3570	3.9476	3.7267	3.0038	3.4026	2.6802	4.0826	3.6531	3.9981
Homoserine	Homoserine	4.2684	4.4705	4.3827	4.7938	4.3329	4.4150	4.4375	4.4504	4.4692	4.3990	4.2139	4.2856	4.2300	4.1594	5.0417	4.4271	5.2765	4.0682	4.3830	4.5211	4.1401	4.3151	4.6544	4.7816	4.3048	4.5683	4.4569	4.0963	4.4144	4.0617	4.3677	4.0779	4.4806	4.7641	4.5014	4.0436	4.1608	3.9436	4.2589	5.2843	4.0811	4.2038	4.3216	4.2528	4.2175	4.5056	4.3284	5.1139	4.5248	4.4558	4.1464	4.7266	4.4250	4.1464	4.2447	4.5781	4.5875	4.3715	4.6488
Hydroquinone	Hydroquinone	3.1236	3.6386	3.2652	3.4583	3.4155	3.1637	3.9587	3.2450	3.3929	3.8619	4.9309	3.1454	3.0554	3.1645	3.0585	2.9551	3.7856	3.1826	4.2057	3.1366	3.4769	2.9227	3.2862	2.7118	3.3737	2.9699	3.0522	3.1713	2.9533	2.9622	2.9721	2.9700	2.8518	3.6349	3.3831	3.2755	3.3008	3.0480	4.3907	3.8508	2.8287	2.9027	2.9898	2.7322	2.8224	2.7475	3.8034	3.6482	2.8407	2.8642	3.1929	3.1795	3.1552	2.8707	3.5569	2.7929	3.1253	3.0380	3.2911
Hydroxy-FA (12:0)		3.4668	3.5374	3.3760	3.7084	3.3564	3.3598	3.4802	3.5729	3.4874	3.0082	3.5425	3.5395	3.3598	3.2931	3.6088	3.4267	4.4275	3.3830	3.2942	3.3689	3.7835	3.4516	3.6053	3.4928	3.5081	3.9703	3.4220	3.4704	3.3296	3.2600	3.4494	2.9908	3.7122	4.1119	3.4497	3.5108	3.4562	3.3899	3.6073	4.4380	3.1304	3.5152	3.0723	3.8134	3.4337	3.6424	3.1485	4.0871	3.6516	3.7098	3.3780	3.7902	3.4803	3.4086	2.7752	3.4800	3.7122	3.5868	3.6146
Hydroxy-isocaproate	2-Hydroxyisocaproic acid	4.3837	4.6067	4.5181	5.3436	4.4823	4.5600	4.3448	4.5512	4.7537	4.0571	4.5677	4.6960	4.6284	4.3816	4.3459	4.5480	5.4234	4.4004	4.3091	4.6460	5.1825	4.6632	4.7400	4.3572	4.7083	4.3099	3.7202	4.6455	4.3859	5.0991	4.7832	3.9054	4.3894	4.3988	4.8685	5.0454	4.7580	4.3823	4.5478	5.8608	5.1309	4.7882	3.9440	3.5933	4.1552	4.2110	4.1465	5.7812	4.2054	4.2677	4.8295	4.5173	4.7282	4.6782	4.3587	3.9590	4.1742	5.1301	5.1572
Hydroxykynurenine	Hydroxykynurenine	3.0669	3.2735	3.5074	2.9956	3.4444	3.4133	3.3866	3.5964	2.9231	3.2398	3.0224	3.3481	3.5058	3.6201	3.2551	3.3962	3.3287	4.8010	2.9149	3.3108	3.8375	3.3052	3.1992	3.0944	3.4616	2.8170	2.7770	3.7301	2.8061	2.7233	3.9614	2.7615	2.7965	2.9733	3.1599	3.4479	3.3462	3.0072	3.0729	3.2660	2.6196	2.9850	2.7962	2.7100	2.8444	2.5493	2.7830	3.1516	3.3606	2.5317	2.6615	3.1206	3.1321	2.2943	2.1875	2.5517	3.0552	2.9220	3.2014
Hydroxyphenyllactate	Hydroxyphenyllactic acid	4.5384	5.1971	4.8865	5.8259	5.9811	5.1632	5.0229	5.4426	4.9341	4.5493	5.1205	5.9549	4.8198	4.9221	4.5756	4.7673	5.3850	5.5510	4.6082	5.4439	5.5199	4.5715	4.7783	4.7757	5.1906	4.4159	4.0695	5.0981	4.6450	4.8234	5.3064	4.5221	4.7975	4.7961	5.6649	5.0827	5.2369	4.3460	4.7121	6.8291	4.6681	4.9139	4.0241	4.0496	4.4080	4.6742	4.6088	5.8478	5.0712	4.8883	4.8073	4.9528	4.8724	4.6956	3.8374	4.3277	4.8409	4.8935	5.2082
Hyocholate	Hyocholic acid	1.7923	2.1616	2.1561	3.2535	1.9637	2.3880	2.2183	1.8764	2.2727	2.6525	1.9505	2.1509	1.6126	2.4696	2.1036	2.3234	3.4171	2.4431	3.3583	2.5658	2.8334	2.6634	2.3663	2.4189	2.1200	2.6693	2.1535	1.9640	2.3259	1.6668	1.7191	1.8971	2.9686	2.7583	2.6556	2.0030	2.0856	2.1124	2.7061	3.5970	1.4163	2.3328	2.3330	2.3719	2.4820	3.3853	2.9726	3.4229	2.6783	2.0920	2.0876	2.7233	1.8184	2.0240	2.7142	2.7924	2.1185	2.6016	2.8331
Hypotaurine	Hypotaurine	3.5951	3.2733	3.3492	3.0687	3.3205	3.1146	3.1971	3.1633	3.6621	3.8395	3.1657	3.0566	3.2360	2.9552	3.4337	3.1165	3.2692	3.3658	3.6488	3.2826	3.5279	3.2380	2.9724	3.6775	3.4913	3.5572	3.7174	3.7106	4.0073	3.8054	3.6801	4.3438	3.8976	3.4452	3.4713	3.3671	3.8678	4.0464	3.9846	2.8155	3.4840	3.6394	3.0991	4.0961	3.6554	3.9601	3.0708	3.7558	3.6746	4.0008	4.1574	3.3657	3.2621	3.3223	3.6190	3.6851	4.2198	4.3524	3.2406
Hypoxanthine	Hypoxanthine	7.0762	7.0078	7.2188	6.4887	7.0927	7.2935	7.3133	7.2643	6.7685	7.1998	7.0651	7.2484	7.3403	7.2105	6.7150	7.3651	7.3114	7.0964	6.8268	7.1558	7.2550	7.2066	7.3322	6.9264	7.3744	6.9188	6.1856	6.9666	6.8510	6.9477	7.0072	6.7167	6.9123	7.0105	6.8307	6.8114	6.5825	6.8290	6.7997	6.7216	7.0997	7.0529	6.7079	6.4366	6.6759	6.4882	6.5955	6.6968	6.7198	6.6441	6.8500	6.5451	7.1072	7.0147	6.8420	6.8571	7.0602	6.8548	6.6172
Indole-3-acetate	Indoleacetic acid	2.8044	3.2308	2.8267	2.9447	2.7256	3.1899	2.7767	3.0994	2.9474	3.4098	2.6793	2.8402	3.1179	2.8776	3.1277	3.1879	3.1611	3.0709	3.6979	3.1507	2.8750	2.9231	2.9957	2.7258	2.8094	2.5046	2.6495	2.4125	2.7950	2.6193	2.2834	2.6831	2.5906	3.0120	2.8806	2.2776	2.8025	2.4372	2.5420	3.0672	2.3121	2.6255	2.7945	2.6081	2.6114	3.2763	3.7782	3.1966	2.6368	2.6256	2.6273	2.6357	3.1015	2.5287	2.9939	2.5616	2.6345	2.8792	3.0542
Indole-3-carboxylate	Indole-3-carboxylic acid	3.6343	3.8639	3.1246	3.5641	2.8926	3.2345	3.2759	3.1305	3.2983	3.7044	3.1561	3.3123	2.9720	2.7807	3.6490	3.2822	3.8436	3.8097	3.9395	3.2006	3.7276	3.0269	3.0885	3.7920	2.9639	2.6336	2.8073	2.4676	2.7567	2.7467	2.7081	2.6397	2.8525	2.9986	3.0047	2.4938	2.8869	2.6692	2.5398	3.8963	2.6644	2.8075	2.6313	2.5785	2.5577	2.6604	3.8720	3.5287	3.3711	2.6057	2.6569	3.1746	3.8083	2.4808	3.1825	2.4936	2.9715	2.7179	3.0365
Indole-3-ethanol	Tryptophanol	2.7437	2.7588	2.3565	2.8626	2.5339	2.5681	2.5161	2.3753	2.6691	3.0778	2.8643	2.5334	2.1876	2.5180	2.3619	2.2392	3.2998	2.7184	3.8376	2.3947	2.6833	2.4470	2.5064	2.4554	2.2328	2.9264	2.7847	2.5734	2.7505	3.7064	2.1765	2.5421	2.7375	2.7529	2.7187	2.3908	2.2043	2.5208	2.4526	3.4823	2.3080	2.3177	2.9454	2.6045	2.3850	2.5632	3.3561	3.0345	2.5802	2.8820	2.4587	2.8208	2.6173	2.3941	2.9421	2.4343	3.2041	2.2131	2.9922
Indoleacetaldehyde	Indoleacetaldehyde	2.4010	2.7224	2.7832	2.6065	2.6787	2.3820	2.4979	2.3952	2.6207	3.2833	2.7606	2.3070	2.3639	2.4101	2.6128	2.4802	3.4612	2.9413	3.7438	2.7394	2.9370	2.2958	2.2999	2.3944	2.4996	2.4897	2.4742	2.5561	2.1142	3.1889	2.6210	2.2779	2.4535	2.1960	2.1015	2.2000	2.4289	2.2048	2.2023	3.2779	2.0393	2.1769	2.5439	2.1239	2.3671	2.1977	3.4164	2.8871	2.3677	2.1558	2.0124	2.2781	2.2994	2.1416	3.1418	2.3582	2.2200	2.3357	2.6143
Inosine	Inosine	7.6185	6.7182	7.3255	6.9855	7.2177	7.1106	7.3972	7.4364	7.7819	6.6655	7.3093	7.2739	7.4622	7.3415	7.2980	7.2731	7.2980	7.2156	7.4299	7.0756	7.2980	7.2100	7.2438	7.3396	7.4205	7.5711	6.6067	7.3017	7.0526	7.4598	7.1706	6.8967	7.6971	7.8772	7.4477	7.2601	7.1224	7.1793	7.6070	7.3161	7.3873	7.5878	7.2583	7.2004	7.0699	7.1120	6.3148	6.3953	7.2988	6.9234	7.1442	6.9050	7.1724	7.1400	6.7508	6.9670	6.7079	6.8815	7.0990
Isocitrate	Isocitric acid	5.6906	5.6917	5.2385	6.0082	4.7744	5.0063	4.5599	5.7559	5.3787	5.0655	5.9217	5.7339	5.5829	5.2266	6.0268	5.0296	5.4142	6.5893	6.5575	5.8551	5.8009	5.8343	4.8181	5.7791	4.8156	6.0588	6.9000	5.7971	6.5479	6.6521	6.2016	7.3218	6.1812	6.3516	6.3478	6.6963	6.1294	6.1143	6.7189	6.6970	6.1901	6.1246	6.0524	6.2407	6.5932	6.5311	7.6165	5.9178	6.0715	6.3944	6.0062	5.4404	4.9720	6.8760	6.5101	6.5820	5.4158	6.1208	5.9240
Isoleucine	Isoleucine	6.6496	6.7095	6.6282	6.8828	6.6219	6.6767	6.7354	6.6985	6.4347	6.4644	6.4862	6.6445	6.7150	6.6170	7.2176	6.7366	6.6466	6.4294	6.6834	6.6710	6.7323	6.7346	6.6547	7.1184	6.5550	6.4984	6.5379	6.6014	6.6189	6.4079	6.7380	6.1528	6.9218	6.9678	6.6677	6.5169	6.6702	6.4948	6.7849	7.3132	6.5892	6.6135	6.4239	6.0378	6.4215	6.7096	6.6623	6.9256	6.8247	6.5282	6.4607	6.7298	6.6317	6.3867	6.8204	6.5962	6.5047	6.6491	6.5556
Isovalerylcarnitine	CAR 4:0;3Me	5.5245	5.7431	6.4968	5.7375	6.1632	6.0637	5.9853	6.0773	5.4525	6.6135	6.3653	6.0872	6.1869	6.2883	5.9080	6.0956	5.2757	5.7607	5.5383	5.7103	5.1596	6.3050	6.2305	5.5063	6.4168	4.8399	3.9757	5.6309	4.4955	6.0778	5.7998	5.3879	4.6072	4.6840	6.1980	5.9254	5.7925	5.3187	4.8241	5.7922	5.6329	5.2011	4.7453	4.5940	4.9562	4.1915	4.7933	5.4522	4.4243	4.7913	5.1315	4.8650	6.1746	4.7659	5.0238	4.2581	5.0499	5.6025	5.5677
Itaconate	Itaconic acid	3.5306	3.9128	3.3209	3.6921	3.3886	3.5898	3.3705	3.5049	3.9322	4.6526	3.4802	3.7338	3.5171	3.3026	3.4960	3.7983	4.4312	3.4471	4.8826	3.5072	3.6284	3.4277	3.9450	3.2269	4.1023	3.8379	3.5645	3.4812	3.4147	3.2892	3.3102	3.5087	3.7370	3.9284	4.0387	3.4322	3.8411	3.2856	3.4784	4.4145	3.3710	3.8301	3.5336	3.4898	3.8760	3.4770	4.5226	4.1749	3.5294	4.3091	3.6931	4.2289	3.5226	3.2240	3.9913	3.2741	4.0094	3.4257	3.9393
Ketoleucine	Ketoleucine	4.3527	4.3273	4.1896	6.4540	4.3219	4.4826	3.9378	4.6699	4.4151	4.0010	4.2047	4.2887	4.2030	3.7908	4.2431	4.0337	5.2458	4.1916	4.7736	4.1584	3.7588	4.3400	4.3190	3.9058	3.7720	5.0324	4.3306	3.8624	4.6454	4.3067	4.3864	4.2316	4.9132	4.7275	5.7558	4.5369	4.4972	4.1223	5.0472	7.1115	4.5236	4.5833	5.1143	3.9471	4.7085	5.3349	4.8681	6.2833	4.7341	4.4703	4.2133	5.2718	4.5443	4.2114	4.8005	4.2445	4.7068	5.1842	5.8534
Kynurenine	Kynurenine	4.3234	4.5351	3.9293	4.5220	4.2181	4.3117	4.3186	4.7462	4.6646	4.5931	4.6033	4.5593	4.4466	4.4244	4.3979	4.4832	4.8012	4.7748	4.6800	4.7044	4.6784	4.1939	4.3963	4.1453	4.3921	4.7106	4.9690	4.4729	4.5472	5.1640	4.8507	4.7513	4.8310	4.3588	4.9089	4.4818	5.0365	5.3183	5.0239	5.0646	4.5571	4.7980	4.9387	4.5224	4.5966	4.7301	4.8798	4.6422	4.6814	4.4717	4.9761	4.5936	4.4451	4.6825	4.4775	4.5135	4.7025	5.5317	4.9802
Lactate	Lactic acid	6.9802	7.3327	7.2413	7.5794	7.0036	7.1907	7.1787	7.2873	7.3988	7.6995	7.2700	7.2687	7.3941	7.2101	7.0933	7.2490	7.5387	7.2454	8.1897	7.3378	7.8059	7.1015	7.2221	7.2463	7.3678	7.0193	6.9948	7.4256	7.4760	7.3133	7.4035	7.1098	7.3939	7.6091	7.3874	7.3775	7.3189	7.2906	7.2651	8.2467	7.4062	7.4680	7.0452	6.9216	7.2307	7.3176	7.9682	8.0084	7.4682	7.2908	7.3047	7.4196	7.2616	7.3199	7.7182	7.3121	7.1750	7.1868	7.2743
Lactose	Lactose	2.6479	3.2478	2.7850	3.0090	2.9889	2.9448	2.8535	2.9551	2.9822	3.7131	2.8406	3.2601	3.0048	2.5834	2.8496	2.9593	4.3913	3.0077	3.7968	2.6974	3.7725	2.7330	3.5638	3.2922	3.1588	3.0094	3.3847	3.1292	2.8054	4.4566	2.6702	3.1852	3.0237	2.9226	2.9567	2.7765	3.1409	2.8553	2.7656	3.3753	3.2876	2.8562	3.4327	3.1088	3.3199	3.3765	3.7017	4.0303	3.3066	3.8016	3.1775	4.4837	2.9817	2.9178	3.4051	3.0662	4.1211	2.9453	3.0278
Lactoylglutathione	S-Lactoylglutathione	3.2071	3.1615	3.3605	3.2446	3.1666	3.2535	3.4344	3.0887	4.3614	4.5160	3.1454	3.0546	3.0139	2.8957	3.1536	2.9725	3.7878	3.5506	4.0714	3.2191	3.9919	3.2024	3.1821	3.1157	3.3734	4.4707	4.2197	3.7398	5.6127	3.8421	4.1697	4.0042	3.6903	4.6491	3.7561	3.8871	4.7239	4.0231	3.7291	3.6013	3.4594	4.3334	4.1896	3.2491	4.0133	4.7142	3.7765	3.4014	4.0090	4.5174	4.1812	3.5435	4.1704	4.5479	3.4434	4.7261	3.2455	4.0059	3.8352
L-DOPA	DOPA	3.9590	4.1719	3.8747	3.8102	3.3676	3.5334	4.0250	3.9015	3.8333	3.5548	4.3206	4.2630	4.3136	4.0813	4.4845	3.9432	3.9647	4.6522	3.5483	4.5629	3.9037	4.3001	3.4394	4.1665	3.7151	4.4735	4.8845	4.5791	4.7448	4.7528	4.3563	4.7710	4.5144	4.5726	4.3029	4.9754	4.4679	3.9969	5.1920	4.0029	4.7283	5.0476	4.6168	4.6350	4.8172	4.9899	3.7017	4.0299	4.3707	4.8214	4.6516	3.8807	3.5121	5.0585	4.0721	5.0023	3.5433	4.4627	4.4618
Leucine	Leucine	6.6493	6.7086	6.6281	6.8826	6.6211	6.6767	6.7353	6.6986	6.4347	6.4603	6.4861	6.6445	6.7151	6.6136	7.2148	6.7363	6.6464	6.4294	6.6836	6.6688	6.7325	6.7346	6.6538	7.1156	6.5550	6.4981	6.5326	6.6011	6.6182	6.4069	6.7382	6.1533	6.9214	6.9670	6.6675	6.5168	6.6701	6.4950	6.7845	7.3120	6.5894	6.6134	6.4240	6.0375	6.4217	6.7096	6.6622	6.9230	6.8245	6.5257	6.4594	6.7288	6.6317	6.3865	6.8205	6.5959	6.5040	6.6488	6.5550
Linoleate	Linoleic acid	3.0410	2.0793	2.4202	2.8471	2.2898	2.3545	3.4581	2.9415	3.7921	2.7518	2.1816	2.9370	2.3575	2.6100	4.2385	2.6841	3.7592	2.2291	3.1472	3.3785	2.1287	4.5361	2.2627	4.5986	2.2796	4.7311	4.6834	2.3061	3.2087	2.3222	2.3236	2.9512	5.1449	4.5432	2.3893	2.4797	2.4241	3.3868	4.4269	3.7923	2.1495	3.3123	4.5842	4.9998	4.4017	4.2712	3.2751	2.8575	4.4683	3.3379	3.4378	3.6039	2.3072	3.4098	2.5578	4.7070	3.3959	2.0649	3.7193
Lithocholate	Lithocholic acid	1.9634	1.8213	1.3771	1.9817	1.7955	1.7570	1.4992	1.9466	2.1314	3.2737	1.7859	1.7132	1.5474	1.6191	2.0974	1.6860	2.6688	1.8342	3.1694	1.8307	2.7173	1.8953	2.0785	2.0012	1.7614	1.9210	2.0937	1.8392	1.4106	1.7709	1.7688	2.2470	2.6069	2.2615	1.8414	1.5642	1.7233	1.6140	2.2793	2.6190	1.2671	1.6224	2.6168	2.5377	1.9712	1.9167	3.0965	2.0057	2.2543	1.9662	1.4774	2.2126	1.2866	1.5256	2.7570	2.4884	2.2754	2.0737	2.0092
Lumichrome	Lumichrome	3.6659	3.9899	4.1888	3.2030	4.1602	4.0218	3.9641	3.9760	3.4994	4.0374	4.0969	4.3478	4.2467	4.0195	3.5169	3.9110	4.0859	3.6521	4.5076	3.8945	3.5764	3.8491	4.3727	3.0020	4.3222	3.1681	3.0569	3.5777	2.9538	3.6287	3.2853	3.0001	2.9207	3.0202	3.6460	3.7450	3.5350	3.3580	2.8402	3.8241	3.6659	3.1953	2.8380	3.0174	3.0014	3.0901	3.9181	3.7930	3.0137	3.1602	3.3754	3.5414	3.8431	3.1965	3.6448	2.8485	3.0698	3.5017	3.4409
Lysine	Lysine	4.7578	5.1706	4.8603	5.0376	5.2886	4.8498	4.9564	5.0058	4.8441	4.3177	4.7397	4.9017	5.0341	4.7942	6.0990	4.9651	5.5532	4.6900	4.3929	4.9627	4.7538	4.9562	5.1187	5.4194	4.9778	4.8743	5.6728	4.7574	4.9875	5.1487	4.8517	4.6350	5.0512	5.0456	4.7189	4.6379	4.8733	5.1261	4.7223	5.6851	5.0894	4.6974	5.7919	4.9748	5.4966	5.0847	4.3987	5.3518	4.8263	5.0277	4.9873	4.9546	4.9418	4.9492	4.6572	4.9836	5.3898	4.7977	4.9169
Lyso-PC (16:0)	LPC 16:0	4.9078	5.0608	5.2037	4.1797	4.7893	5.0731	5.2135	4.3132	5.0992	5.1662	4.8334	5.5154	4.8864	5.2389	6.8903	5.0338	6.6580	5.0019	4.1568	5.7876	4.3949	6.1533	5.1028	6.2649	4.9582	5.4895	6.1522	5.0006	5.6172	3.9959	4.9569	5.4827	7.2177	6.0187	4.7847	4.6387	4.4580	4.9701	5.9142	5.9498	4.9334	4.7489	6.6709	6.5082	6.4423	6.4821	6.7961	5.3342	6.5300	5.3160	5.1910	5.6807	4.7931	5.9857	5.5103	6.7313	5.2936	4.7189	6.0214
Lyso-PC (18:1)	LPC 18:1	4.9363	5.2151	5.1035	5.0605	4.0183	4.1336	5.1425	3.7644	5.1576	4.7046	4.8662	4.8528	4.5942	4.8407	5.9754	4.4914	6.1375	5.4071	4.4070	5.5730	5.0254	6.1799	4.4605	6.0164	4.1771	5.5366	6.2075	4.4084	5.3916	4.4143	4.7197	5.4114	6.7790	5.5951	4.6010	4.2416	4.7101	4.6509	5.9083	6.3634	3.9472	5.0861	6.3099	6.1607	6.2967	6.2182	6.2990	4.6895	6.4108	5.2738	4.7114	5.4072	4.1944	5.7634	5.0041	6.7422	5.1470	4.1602	5.7150
Lyso-PE (16:0)	LPE 16:0	3.9946	4.0759	3.9896	3.2695	3.5228	4.0668	3.8569	3.0854	3.2883	3.5404	3.8296	4.3012	3.6179	3.9479	5.2598	4.1566	4.4646	3.4517	3.2623	4.5118	2.9388	4.5601	4.0229	5.4277	3.5281	3.7845	3.6056	3.4043	3.3334	3.3064	3.0704	3.5327	4.2230	3.6343	3.1863	2.8460	3.1653	3.2170	3.5728	3.7300	3.1939	3.5181	3.7240	4.0289	3.9766	3.8512	3.9791	3.8679	4.3249	3.2877	3.4382	3.7905	3.6575	3.6129	3.5047	4.0839	3.8211	3.1911	3.9482
Lyso-PE (18:1)	LPE 18:1	4.0439	4.0725	4.0663	3.6506	3.3904	3.5452	4.5277	3.2364	3.9827	3.9544	3.8620	4.5376	3.7721	4.4300	4.8385	4.2485	4.6186	3.8814	3.1343	4.3227	3.5375	5.6511	3.4999	5.0825	3.4801	4.4551	4.3940	3.0790	3.7463	2.7682	3.3126	3.5873	4.9049	4.0976	3.5084	3.0611	3.0680	3.5757	3.9775	4.5034	2.8602	3.6238	4.2027	4.5179	4.2273	4.2131	4.6903	3.7999	4.5723	4.0735	3.6933	4.0378	3.7066	3.6733	3.6442	4.4010	4.3470	3.1644	3.9485
Malate	Malic acid	6.8027	6.8489	6.8412	6.4742	6.7240	6.7404	6.7466	6.8078	6.4659	6.7462	6.7216	6.8833	6.7699	6.5915	6.9219	6.7641	6.7915	6.7107	7.0320	6.8229	6.4789	6.6438	6.8149	6.8543	6.5543	6.6173	6.9372	6.5538	6.8711	6.7876	6.2852	7.0323	6.8794	6.7581	6.5259	6.5309	6.4658	6.8029	6.9734	6.6304	6.7169	6.8396	6.9299	6.7653	6.9880	6.6288	6.8229	6.9518	6.6910	6.6965	6.6903	6.5767	6.7509	6.7446	6.9856	6.8191	6.7415	6.6325	6.8663
Maleate	Maleic acid	3.5006	3.5718	3.5299	3.2644	3.4732	3.3466	3.3812	3.4949	3.3720	3.9634	3.4977	3.5331	3.7581	3.5165	3.4784	3.5907	3.7093	3.6761	4.5604	3.5892	3.7683	3.4350	3.4320	3.3334	3.2850	3.2702	3.5286	3.3043	3.3632	3.7039	3.1144	3.3352	3.3094	3.4654	3.5189	3.5046	3.3212	3.4967	3.4618	3.6861	3.2809	3.3434	3.3094	3.3099	3.5388	3.3356	4.3714	3.6059	3.3436	3.4873	3.3240	3.2893	3.2923	3.5246	3.7378	3.5691	3.5481	3.3421	3.3162
Maleimide	Maleimide	4.2410	3.7192	4.0274	3.8996	3.7324	3.9249	3.8389	3.7996	3.7696	4.3333	3.7912	3.9160	3.8321	3.9895	3.8286	4.0699	3.8669	4.0531	3.5156	3.7722	3.5066	3.8990	3.7484	4.0611	3.8352	4.0602	3.1725	3.2369	3.2028	3.2320	3.4732	3.1775	3.5304	4.0863	3.5116	3.1167	3.4319	3.2669	3.9456	4.2986	3.2524	3.4148	3.2965	3.2874	3.3900	3.4161	3.3675	4.2371	3.2808	3.3064	3.2687	3.8320	3.6134	3.1584	3.2792	3.1574	4.3055	3.4005	3.6974
Malonate	Malonic acid	3.6331	3.6046	3.5757	3.7358	3.6721	3.5582	3.5063	3.4852	3.7229	3.8540	3.5800	3.5351	3.5044	3.2875	3.5983	3.6459	4.1936	3.5829	4.0317	3.4559	3.4692	3.4338	3.8359	3.4713	3.5371	4.0086	3.8510	3.5865	3.6901	3.4317	3.3960	3.3621	3.5201	3.9749	3.5822	3.6342	3.7739	3.5327	3.4173	4.2273	3.6028	3.5324	3.6321	3.7618	3.4801	3.5635	3.8589	3.9916	3.6781	4.0297	3.4660	3.9199	3.6589	3.5436	3.5753	3.4129	3.7862	3.3199	3.6533
Mannitol	Mannitol	3.6250	5.4811	4.4238	5.2324	3.8536	4.5657	3.9806	3.8955	3.8988	4.4928	3.7669	3.8840	4.0531	3.8295	3.5617	3.9401	5.9084	4.1796	3.8974	4.2569	5.3737	3.8896	4.1354	3.8596	4.0761	4.0227	3.9904	4.5351	4.8330	4.8725	4.7410	5.2776	4.5857	3.9736	4.0068	5.0508	4.0104	4.0010	3.5818	4.4624	5.1876	4.1350	4.3464	4.6122	4.2972	5.3204	4.1982	4.6112	3.5397	4.1117	4.7865	4.3178	4.1420	4.6017	4.2653	4.0716	4.3269	4.1698	4.2234
Mesaconate	Mesaconic acid	3.5820	3.8771	3.5011	3.7543	3.5675	3.5969	3.2999	3.4764	3.8440	3.7375	3.6258	3.7665	3.6163	3.3542	3.3515	3.8385	4.2738	3.5866	4.1878	3.4392	3.4432	3.4725	3.9303	3.0975	4.1160	3.8310	3.3571	3.5970	3.3590	3.7992	3.3009	3.4982	3.7139	4.0512	4.0129	3.5118	3.8795	3.2742	3.4891	4.4390	3.5754	3.8602	3.3785	3.5166	3.9157	3.5954	3.9093	4.0979	3.3903	4.2986	3.6666	4.2092	3.4365	3.4846	3.5902	3.3859	3.8346	3.4027	3.9476
Methionine	Methionine	5.1276	5.4115	5.2428	5.4440	5.0795	5.3226	5.4262	5.3722	5.0048	4.8814	4.9921	5.3443	5.3984	5.2972	6.5771	5.4240	4.9390	5.2182	5.2767	5.4408	5.3324	5.5395	5.2057	6.3465	5.1098	5.2551	5.3639	4.7143	5.1309	4.8043	5.3652	4.8820	5.6171	5.5772	5.2307	4.8449	5.2305	4.9414	5.1515	5.7942	4.6598	5.2804	5.2666	4.9271	5.0643	5.4201	5.4009	5.1646	5.6584	5.1462	4.9702	5.1296	5.0470	5.1537	5.4899	5.3313	5.0997	5.0147	4.9005
Methionine sulfoxide	Methionine sulfoxide	2.9443	3.5293	3.9941	4.1719	3.7135	3.7193	3.6582	3.3146	3.7247	3.9510	3.1189	3.4866	3.5257	3.2394	3.7116	3.5170	5.2120	3.0916	4.1681	3.4266	3.3656	3.3352	4.4046	3.3835	3.7917	3.3923	3.6882	3.4747	3.1092	3.2955	3.5794	3.2868	3.1880	3.5451	3.9494	3.2230	3.6388	2.9710	3.0137	4.8578	3.4302	3.0413	3.2103	3.2269	3.1442	3.4522	3.8822	4.7864	3.7091	3.4973	3.1759	3.8134	3.9260	3.2066	3.5251	3.2485	3.5774	3.5718	4.0266
Methyl jasmonate	Methyl jasmonate	2.8995	2.7672	2.4996	3.0254	2.5095	2.6152	2.5356	2.7247	2.8413	3.4016	2.8031	2.8594	2.5772	2.6878	3.0747	2.6410	3.6618	2.6721	3.8475	2.9615	2.9241	3.1805	2.5089	2.7992	2.6095	3.1227	2.8411	2.6398	2.4371	2.3782	2.4048	2.5800	3.3808	3.3207	2.5648	2.4442	2.3268	2.3668	2.8105	3.6813	2.3433	2.6557	2.6392	3.0053	2.5264	3.1271	3.0984	3.2139	3.1466	2.8351	2.6831	3.1741	2.5286	2.5861	3.0704	2.8855	2.7993	3.0003	3.1925
Mevalolactone	Mevalolactone	2.8644	3.3456	2.5686	3.1180	2.9970	3.0916	2.8082	3.2308	2.8926	2.7478	2.7489	3.1037	2.8591	2.7765	3.2915	2.9934	3.4479	3.3103	3.1177	3.1056	3.0909	2.7890	2.8575	3.2156	2.6537	2.7950	2.8441	2.8246	2.8797	3.0700	2.8724	2.9427	3.0629	3.0884	3.0175	2.8203	4.0276	3.1030	2.6783	3.5385	3.0299	2.7597	2.9823	2.5701	2.8147	2.9733	3.1001	3.1373	2.8573	2.9163	2.8209	3.3171	2.8669	3.0275	2.7319	3.1003	3.1527	2.8361	3.2256
Mevalonate	Mevalonic acid	3.6928	4.2804	3.8526	3.8832	3.7751	3.7332	3.7815	3.7466	3.6234	4.1414	3.7808	3.8037	3.7105	3.5957	3.8954	3.7773	3.8633	4.0182	3.8376	3.8316	4.3031	3.7612	3.5228	3.5294	3.6779	3.6517	3.5258	3.5412	3.1566	3.2235	3.5090	3.8433	3.4316	3.8163	3.3399	3.1582	3.3438	4.1503	3.5703	4.2469	2.7426	3.3057	3.0834	3.7318	3.3857	3.3956	4.0155	3.8247	3.5941	3.4994	3.2565	3.4169	3.5994	3.2203	3.2411	3.3576	3.3786	3.3976	3.6426
Murideoxycholate	Murideoxycholic acid	1.7923	2.2512	1.1775	2.5178	2.0847	2.0339	1.5370	3.0484	2.4198	2.5398	2.1875	1.9397	1.7134	2.2739	1.7026	2.1731	3.7461	1.8434	2.7974	2.1861	2.3149	2.0786	2.3833	2.0240	2.3038	2.6612	2.2635	2.0132	2.1837	1.5112	1.5302	1.9423	3.2259	2.3301	1.9686	3.1552	2.1120	2.2233	2.8946	3.0584	1.7514	2.8567	2.9431	2.2691	2.7487	3.5404	2.6571	2.8606	2.2721	3.2452	2.5717	3.3917	2.0056	1.9964	1.9238	3.1331	3.4213	2.2300	2.9266
N1-Acetylspermine	N1-Acetylspermine	3.2245	3.4225	2.2425	3.6179	2.5225	2.7049	2.9058	2.8538	2.8883	2.9076	2.7185	3.1104	2.5362	2.7380	2.5807	3.0248	4.0310	2.7558	3.5277	2.3599	2.5086	2.5154	2.5494	2.6916	2.8445	3.0618	2.3515	3.3698	2.7796	3.0138	3.1411	2.9067	2.5526	2.5815	3.4116	2.3977	4.2684	3.4331	2.4738	4.5716	2.4584	2.6571	3.2087	3.3516	3.2167	3.4513	4.0262	4.7726	4.3829	3.4159	3.3699	3.4709	2.9084	3.3704	2.7098	3.1115	4.2765	2.7571	2.8114
N-Acetylalanine	N-Acetylalanine	3.9431	4.1379	3.8722	5.2381	3.6365	3.8244	3.7086	4.0340	4.6841	5.4456	4.0168	3.9670	3.8499	3.6950	4.8613	3.7521	5.1440	3.9509	5.9217	3.8473	4.9799	3.9658	4.2821	4.6218	3.8324	4.9870	4.4504	4.2992	4.3742	4.0915	4.6246	4.1849	4.5640	5.0240	4.7588	3.9662	4.7601	4.2729	4.4792	5.8512	3.7802	4.3312	4.4632	4.4455	4.1845	4.8150	5.6086	5.5057	4.7947	4.3729	4.2482	4.9031	4.0435	4.0457	5.5096	4.2763	5.2504	4.3966	4.6883
N-Acetylarginine	N-Acetylarginine	4.8855	4.5911	4.6758	3.8484	4.7997	5.0637	4.8297	5.1110	3.8999	3.8350	4.6125	4.8334	4.9989	5.1201	5.7741	5.0232	4.3378	4.5657	4.3790	4.8792	3.6589	4.5584	4.6491	6.1214	5.0274	4.2935	5.0130	3.3702	4.5236	5.5955	3.6982	5.4019	5.3908	3.9431	3.6027	4.3260	3.5359	5.1508	5.3472	4.5111	6.1291	3.9327	6.0263	5.5201	5.6008	5.2268	4.1104	4.1904	4.2774	4.9813	4.6084	3.8942	4.7207	5.1480	4.5163	4.4629	5.4131	4.4822	5.4311
N-Acetylasparagine	N-Acetylasparagine	4.0885	3.8955	3.1480	3.7987	3.7079	3.6214	3.4641	4.1743	4.1531	4.2633	4.2917	3.8218	4.2889	4.0845	3.8976	3.7319	4.2022	3.9821	5.0451	3.8762	3.8839	3.5341	3.7433	3.7149	3.9962	4.1316	5.1365	3.8690	4.3884	4.3922	3.4966	3.9028	4.4933	4.4577	3.4769	4.5136	3.9953	5.2074	4.7034	4.2928	4.9769	4.3224	5.1400	4.7907	4.8561	4.8253	4.7891	4.0450	3.5010	4.2544	4.1225	3.9716	3.7490	5.0317	4.3675	4.8362	4.6088	4.2504	5.0692
N-Acetylaspartate	N-Acetylaspartic acid	7.1756	6.7803	7.3267	5.9970	6.8759	7.0318	6.9950	7.0083	6.5871	7.4477	7.0696	7.0851	7.1912	7.2508	7.2588	7.2076	5.2624	7.2795	5.6033	7.0817	6.2562	7.1683	6.7085	7.5093	7.0224	6.2759	5.1692	5.7813	5.5129	5.4201	6.0859	5.4874	5.4155	5.8012	5.7599	5.7031	5.9858	5.9113	5.7271	5.5477	5.1874	6.0094	5.4055	5.5880	5.6306	6.0383	4.9914	5.2793	5.6444	5.8946	5.7136	5.3827	6.6362	5.2618	4.5617	5.7643	5.5977	5.1697	5.4254
N-Acetylaspartylglutamate	N-Acetyl-Asp-Glu	5.0213	4.3809	4.9286	3.8009	4.5236	4.9307	4.8606	4.6404	4.4064	4.2765	4.6339	4.8123	4.9536	5.0814	3.9885	5.0627	3.0257	5.0673	4.0170	4.8157	3.3561	4.8168	4.5848	4.7887	4.7314	3.5296	3.4394	3.9124	3.4245	3.3551	4.1275	3.6268	3.4814	3.4642	3.4662	3.3902	3.7733	3.7197	3.7186	3.2751	3.3636	3.8307	3.5745	3.6228	3.4741	3.8993	3.7484	3.1191	3.3454	3.7423	3.4501	3.2953	4.5294	3.7306	3.4451	3.9321	3.4378	3.5296	3.4092
N-Acetylcysteine	N-Acetylcysteine	3.4340	3.7761	4.5631	3.3083	3.8353	3.7963	3.4840	3.7354	3.9925	4.0645	3.5512	3.3958	3.5113	3.2575	3.2004	3.8397	3.5917	3.6514	4.7086	3.3548	3.5758	3.4647	3.4491	3.2899	3.3813	3.4142	3.5539	3.6949	3.0828	3.6682	4.0255	3.4599	3.4024	3.5283	4.2013	3.3909	4.1898	4.3252	3.2346	3.4804	3.5515	3.6825	3.1329	3.6481	3.5302	3.3991	4.1504	3.1888	3.8700	3.7131	3.3086	3.2318	4.1378	3.6397	4.0240	3.3693	2.8555	3.3301	3.5157
N-Acetylglucosamine	N-Acetyl-D-glucosamine	4.1915	4.5156	3.7654	3.9509	3.9234	3.8790	4.2204	3.9201	3.9748	3.9083	3.8911	4.0523	3.8368	3.7719	4.3701	3.9754	3.9837	3.9497	3.8329	3.8910	3.4889	3.8490	3.8991	4.2243	3.9016	3.7883	3.9535	3.5514	3.5846	4.5851	3.4954	3.5711	3.8450	4.0466	3.8801	3.8018	3.7788	4.0823	4.2574	4.0775	3.7474	4.0070	3.7922	3.8460	3.5600	3.7480	3.7646	3.9477	3.9300	3.9457	3.6143	3.7343	3.8569	3.5495	3.9305	3.9082	3.8025	3.5067	3.5987
N-Acetylglutamate	N-Acetylglutamic acid	5.9267	4.9968	6.1187	5.3778	5.5073	5.6875	5.4344	5.9043	4.7842	4.2036	5.3825	5.6637	6.0864	6.0719	6.1478	5.6743	4.4562	5.4652	4.8745	6.0270	4.5088	6.0831	5.6247	5.6529	5.6317	4.8526	4.9616	5.0060	4.9201	5.4724	5.3723	4.6046	4.9987	4.9031	4.8858	4.9911	5.0082	5.6606	4.7604	4.9944	5.3368	4.9480	5.2959	5.0819	5.3036	5.0783	4.8971	4.7512	4.7775	4.7222	4.9157	4.4015	5.3638	5.2943	4.4500	5.1564	4.8870	4.8584	5.2088
N-Acetylglycine	N-Acetylglycine	3.6638	4.0894	3.1629	3.7751	3.5287	3.4660	3.1853	3.4107	3.5592	3.7514	3.5408	3.4967	3.3761	3.2592	3.9097	3.3663	4.2238	3.4571	4.0771	3.6716	3.5242	3.5025	3.3632	3.4007	3.2368	3.8740	3.7500	3.6421	3.4837	3.3172	3.3697	3.6812	3.7070	3.8322	3.6629	3.3872	3.4725	3.3711	3.5989	4.3358	3.4004	3.3025	3.3395	3.3995	3.4138	3.6036	4.0179	4.0404	3.5254	3.5260	3.3086	3.9302	3.4396	3.2460	4.2043	3.4976	3.5690	3.6046	3.6464
N-Acetylleucine	N-Acetylleucine	4.2256	4.2009	4.2154	4.1215	3.4490	4.3091	3.7149	4.3734	4.1000	3.3030	4.6733	4.1909	4.6296	4.0223	5.6755	3.8767	4.3941	4.0231	3.8120	4.1734	3.2937	3.6414	4.4550	4.5335	3.9802	3.4690	4.3689	4.3156	4.2838	5.2478	3.7928	4.0129	4.1484	3.7924	3.7531	5.1462	4.1403	5.3812	4.6826	4.5127	5.8859	4.7852	4.7135	3.6870	4.6904	4.1812	3.4215	4.2777	3.2204	3.7920	4.4055	3.9300	4.0978	5.0852	4.2584	4.2721	4.1876	4.9451	5.1689
N-Acetylmethionine	N-Acetylmethionine	3.9285	4.2094	4.4989	4.4864	3.5922	4.4235	3.8481	4.1364	4.4634	3.7718	3.9455	4.0416	4.2726	3.9794	6.8155	3.9690	4.0882	4.0650	4.0852	3.9406	4.3016	3.5339	4.5195	5.7122	3.8705	3.8345	3.8915	4.4303	3.8282	4.3057	4.7698	3.7270	4.0854	4.0198	4.9251	4.5258	4.7782	4.3154	4.2210	4.7277	3.8470	4.0898	4.1377	3.7052	3.6481	3.9684	3.8056	4.1120	4.3449	3.8649	4.3388	3.8846	3.8481	3.9466	3.7052	3.5156	4.0983	4.1375	4.3166
N-Acetylneuraminate	N-Acetylneuraminic acid	5.9578	6.1796	5.7105	6.1527	5.6749	5.4674	5.6391	5.9543	5.9796	5.1892	6.2642	5.8427	6.0137	5.6731	5.6622	5.7187	5.7946	6.2508	4.7357	5.7098	6.1464	5.8000	5.7609	6.2013	5.8315	5.8909	6.6098	6.2863	7.2206	6.5709	6.5698	7.0466	6.1871	6.0447	5.4497	6.6797	6.5664	6.4001	6.6301	5.6971	6.5708	6.2437	6.8938	6.9282	6.3232	6.2835	6.9697	6.0440	5.7177	6.2394	7.0488	6.6510	5.8220	6.8187	7.1390	7.2665	6.4504	6.7159	5.7052
N-Acetylornithine	N-Acetylornithine	3.5986	3.4591	2.9094	4.0930	2.9630	3.0248	3.2211	3.4794	3.0751	4.3532	3.8491	3.3457	3.6270	3.1341	3.5718	3.0734	4.8195	3.0906	3.4685	3.2636	4.0742	3.0248	3.5443	4.1302	4.4213	4.8317	3.9733	2.8692	2.8362	3.8602	3.2637	3.4226	2.9529	5.1361	2.8202	2.7393	3.2728	3.5109	4.9274	3.5160	3.4440	3.4217	4.0443	3.7124	3.6504	2.9267	3.4359	3.5245	3.2598	3.3500	3.1538	3.1437	2.9055	3.6617	3.6748	3.0990	3.4666	3.1634	3.6162
N-Acetylphenylalanine	N-Acetylphenylalanine	4.1100	4.3576	4.2956	3.9887	3.8231	4.0335	3.7359	4.8143	3.8568	3.5800	4.9912	4.7116	4.2178	4.2317	4.0435	3.9998	4.4377	5.2768	3.7057	4.2519	3.7326	3.8097	4.3217	3.2854	3.9920	3.7666	3.5382	3.8809	3.9988	5.3094	3.7344	3.8685	3.0348	3.8093	3.5735	4.4009	3.6784	4.8766	3.8458	4.6897	5.0170	4.2876	3.7904	3.8869	4.8120	4.4267	3.4892	4.3429	3.5633	3.9217	3.4474	3.9321	3.9678	4.8739	3.6860	3.9936	4.0872	3.7079	5.0383
N-Acetylproline	N-Acetyl-proline	3.1632	3.5858	3.5601	3.9021	3.0604	3.3768	2.8506	3.4167	3.3315	3.7241	3.7736	3.5779	2.9450	2.7830	3.0450	3.0882	3.9065	3.8314	3.5797	3.0127	2.8696	2.9476	3.2076	3.0529	3.2338	4.8702	2.8816	3.0714	2.9460	3.2042	3.1935	3.1206	3.0159	3.4657	3.2003	2.8906	3.1138	3.0564	3.3323	3.9473	3.0457	2.9596	2.8567	2.9748	3.0515	2.9577	3.5395	3.8424	3.1915	3.0408	3.1659	3.5570	3.5477	2.9753	2.9640	2.9482	3.5566	3.6061	3.4682
N-Acetylputrescine	N-Acetylputrescine	4.0377	5.0442	3.3979	4.3539	3.7919	4.0066	3.6259	4.2098	3.7542	3.7101	3.7410	4.1362	3.5784	3.7378	3.9693	3.9321	4.3175	4.5362	4.6543	3.8980	3.5088	3.5702	4.1432	3.6773	3.7050	3.9244	3.7666	3.4567	3.1355	3.6599	4.3235	3.2734	3.7755	3.7107	3.5888	3.0316	3.8046	3.4586	3.4649	4.2260	3.1864	3.5631	3.0527	3.7560	3.4909	3.5587	4.4346	4.0319	3.5828	3.4541	3.3799	3.8429	4.2673	3.3077	3.1848	3.1086	3.6621	3.3753	3.6402
N-Acetyltryptophan	N-Acetyl-tryptophan	3.9852	7.1875	4.0881	5.7372	4.1969	4.1685	3.9407	7.2078	6.9176	3.6988	7.5917	7.3816	3.9275	4.0771	3.9062	3.9638	4.5859	7.6054	4.0407	6.6337	6.6410	4.8697	4.2432	6.7222	6.8878	4.2275	3.4722	6.3387	4.3586	5.3675	4.3198	4.0587	3.4752	4.0601	3.4888	6.0091	6.6350	4.6607	6.2505	6.6299	4.5930	4.0147	3.0693	3.7109	4.8529	4.2546	3.7038	6.5608	6.0621	5.9834	3.6503	3.6485	4.2899	6.4872	3.9477	3.6032	5.1978	4.3455	5.2392
NAD+	NAD	6.3566	6.3094	6.3408	5.5591	6.5102	6.5800	6.2902	6.1997	5.7182	5.6965	6.4372	6.3331	6.5794	6.4220	6.1752	6.6962	4.7576	6.7502	5.8051	6.4139	5.5249	6.6144	5.9682	5.9973	6.6405	4.8206	6.0684	5.7788	6.5496	6.5245	5.9888	6.2865	4.5251	4.6725	5.5015	6.3253	5.7328	6.1799	6.2299	4.9458	6.5136	6.0517	5.8927	6.1665	6.1674	6.2182	6.3941	5.7971	6.3025	6.1583	6.5569	5.5076	6.0698	6.3351	5.9913	6.1399	6.0014	6.1119	5.7146
NADPH	NADPH	3.0832	3.3554	2.8827	3.2840	3.1204	2.9711	2.8372	2.8361	3.1805	3.8742	3.2719	2.8983	2.8988	3.0563	3.0162	2.8575	4.0322	3.0770	4.5869	3.0181	3.4241	2.8602	2.9275	2.4714	2.9803	3.1540	2.7813	3.2466	3.1221	2.9738	2.8477	3.0738	2.7844	3.0941	3.1048	2.9081	2.9520	2.8580	3.1199	3.7142	2.8659	2.6885	3.1478	2.6292	2.7957	3.1392	4.2669	3.6899	2.8258	3.2755	2.9896	3.4270	3.1800	2.7447	4.5288	2.7823	3.2397	2.8782	3.3243
N-alpha-Acetyllysine	N(2)-Acetyllysine	5.0303	4.8617	4.8989	3.9301	4.8573	5.3540	4.9974	5.2766	3.8086	4.4047	5.0276	4.7967	5.4066	5.5382	5.2266	4.8695	3.9824	4.8216	4.1584	4.9930	3.9492	4.7292	4.5502	4.9231	4.9130	4.2716	5.8492	3.6292	4.4354	5.3284	3.8701	4.9075	5.0987	4.1960	3.8011	4.3143	3.5990	5.6068	4.8900	4.4539	5.9494	3.7570	6.1529	5.7271	5.7402	4.7281	4.1953	4.2054	3.8803	4.6040	4.0406	3.8612	4.8218	4.9123	4.1602	4.3329	5.1477	4.3018	5.1840
N-Formylglycine	N-Formylglycine	3.5609	3.3161	3.2166	3.6258	3.2173	3.3339	3.3039	3.1831	3.4629	4.0245	3.2256	3.3274	3.1431	2.9904	3.2171	3.3949	3.8385	3.1344	4.4296	3.3923	3.4972	3.3106	3.3834	3.0455	3.2019	3.9224	3.2939	3.5380	3.4016	3.1656	3.0835	3.5883	3.3108	3.8756	3.5662	3.1760	3.3284	3.1345	3.3646	4.0291	3.6438	3.2027	3.2377	3.6097	3.3140	3.8292	4.2117	4.0059	3.3776	3.6832	3.3299	3.8072	3.3932	3.0385	4.0740	2.9532	3.6699	3.2325	4.1121
N-Formylmethionine	N-Formylmethionine	3.1145	3.9304	3.6505	4.1891	3.4951	3.6198	3.6276	3.4894	4.0418	4.0861	3.7850	3.7895	3.8831	3.7381	4.5061	3.6796	3.7879	3.8815	4.1846	4.0482	4.0037	3.9893	3.3851	3.4565	3.6268	4.3576	3.8298	4.3526	4.1261	3.6348	4.1820	3.9973	3.8724	4.4136	4.1866	3.8855	4.0650	3.8307	4.2263	4.7524	3.4618	3.9563	3.4680	3.8360	3.8757	4.1930	3.8882	3.9425	3.9917	4.2747	4.1008	3.9421	3.2746	3.4324	3.5053	3.5098	4.0115	3.7304	3.9807
Nicotinamide	Niacinamide	6.7427	6.2114	6.3703	6.2820	6.2195	6.3965	6.5587	6.2981	6.3426	5.8812	6.2619	6.1808	6.3613	6.2478	6.1732	6.3294	6.2763	6.1409	6.1171	6.2105	6.1975	6.3299	6.4538	6.3102	6.2675	6.6436	5.8878	6.4190	6.2120	6.1759	6.2181	6.0880	6.5114	6.2663	6.5578	6.1883	6.4081	6.1038	6.5602	6.2345	6.4392	6.0401	6.0476	6.2138	6.0531	6.1213	5.5869	6.1283	6.2576	6.2403	6.2751	6.1970	6.2273	6.0494	6.0217	6.4483	6.1464	6.2292	6.1981
Nicotinamide hypoxanthine dinucleotide	Nicotinamide purin-6-ol-dinucleotide	5.1194	4.1552	4.6773	3.8247	4.4842	4.4733	4.0437	4.8653	4.8328	4.3590	5.0846	4.7362	4.2699	4.5648	3.7600	4.9158	3.7832	4.8317	5.5047	4.9546	5.1096	4.8318	4.0277	4.4554	4.8679	5.0458	5.0943	5.5017	5.0285	5.1112	4.6335	6.3284	4.7354	4.3189	4.3046	4.9424	5.0626	4.8816	5.0103	4.3396	4.1801	5.2453	5.4154	5.5027	4.5664	4.9639	5.1882	4.7441	4.9469	4.5805	5.1825	4.2905	4.4746	4.9577	5.8359	5.2851	4.6591	5.1148	4.2398
Nicotinamide mononucleotide	Nicotinamide ribotide	4.1371	4.4478	4.3619	4.3421	4.2604	4.5821	4.5043	5.0367	3.8379	3.7287	4.3131	4.7744	4.6309	4.7654	5.5367	4.9427	3.8565	4.0208	3.7067	4.7653	3.7900	4.9417	4.3573	4.9124	4.5510	4.7530	3.8631	3.3988	5.0185	4.5157	3.4954	4.3756	4.9183	3.5426	3.9220	5.1032	4.1163	4.3234	4.7040	4.1440	4.0788	4.4741	4.6072	4.9370	4.6592	5.0492	4.5623	4.7805	4.2500	4.4402	4.4662	4.4001	4.1085	4.5511	4.6303	4.0181	4.2702	4.6296	4.6969
Nicotinate	Nicotinic acid	3.8649	3.9359	3.3003	3.7241	3.5301	3.7053	3.6139	3.7361	3.6065	3.8581	3.5748	3.6427	3.4090	3.3915	3.3859	3.5343	3.9840	3.7499	3.7516	3.5164	3.5587	3.4326	3.7484	3.6759	3.6222	3.7808	3.3418	3.3824	3.3705	3.1948	3.4662	3.4451	3.6212	4.1458	3.6907	3.2788	3.9971	3.4351	3.6975	4.1697	3.3438	3.3592	3.4329	3.3363	3.3518	3.6482	3.7951	3.9571	3.6266	3.5457	3.4572	3.6051	3.5618	3.4486	3.4347	3.5356	3.5639	3.3808	3.6548
N_N-Dimethylarginine	Dimethylarginine	5.5684	5.3813	4.9394	5.2573	5.2208	5.3442	5.1088	5.3191	5.1626	4.8911	5.1321	5.4295	4.8122	5.2000	5.5055	5.2410	5.2548	5.5841	5.2862	5.1135	4.7652	5.0173	5.1221	5.4326	5.0674	4.8193	5.5673	5.1574	4.7105	5.1090	5.1177	4.8229	5.1002	4.8184	5.0501	4.5069	4.3819	4.9431	5.0224	5.5442	4.9436	4.8617	5.1130	5.2017	4.9045	4.9451	5.2857	5.2758	5.0448	5.0114	4.9654	5.2336	5.1464	4.7632	4.8683	4.7254	5.1242	4.8533	4.9540
N_N_N-Trimethyllysine	N-6-Trimethyllysine	4.1735	4.2710	3.4024	4.3205	4.0210	4.1517	3.7700	4.4661	4.0911	3.7244	3.8780	4.1182	3.3634	3.4505	3.8129	3.9208	4.3338	4.2719	4.4426	3.4620	3.6586	3.6493	4.2932	3.8474	4.0380	3.5890	4.0834	3.5828	3.5545	3.5480	3.7506	3.0696	3.8443	3.7759	3.6802	3.3870	3.8417	3.7669	3.3608	4.7440	3.2802	3.4686	3.7186	3.5329	3.4904	3.6771	4.1906	4.5951	3.7243	3.7414	3.6347	4.1074	3.8292	3.3598	3.5153	3.6630	4.0790	3.6565	3.7761
Nor-Desoxycholate		2.7075	3.0353	2.5617	3.0197	2.5960	2.6113	2.7669	2.6005	2.8332	2.8685	2.5253	2.7771	2.5556	2.4790	2.8925	2.6355	3.6588	2.7629	3.4864	2.8662	3.0141	2.7343	2.9619	3.3606	2.7272	3.0283	2.6587	2.6072	2.3578	2.4922	2.4919	2.3659	2.9012	3.0699	2.8309	2.7786	2.6349	2.6568	2.6883	3.5988	2.4567	2.6112	2.5397	2.7503	2.6656	2.6961	3.0310	3.6338	3.1974	2.7869	2.4427	2.9885	2.5841	2.5774	2.7183	2.9258	2.9149	2.6903	2.8372
O-Acetylserine	O-Acetylserine	6.4339	6.0314	6.1006	5.8903	6.2593	6.1424	6.2043	6.2473	6.0822	5.6088	6.0743	6.2110	6.2511	6.2411	6.5947	6.1918	5.6260	6.0737	5.9888	6.0931	5.7518	6.1791	6.1723	6.4526	6.2500	6.1129	6.2986	6.4886	6.2398	6.5163	6.2308	6.6063	6.1729	5.7252	6.0124	6.3713	6.3866	6.5449	6.3764	6.1455	6.5548	6.4485	6.3920	6.4510	6.2545	6.0260	5.8051	6.0151	6.0087	6.4395	6.4712	6.1846	6.0202	6.4536	6.3615	6.3167	6.3284	6.4319	6.0665
O-Adipoylcarnitine	CAR DC6:0	5.6550	6.4365	5.3742	4.2053	5.5826	5.5233	5.2762	5.2835	3.9939	4.5089	5.1994	5.4265	5.6080	5.4332	5.7171	5.6674	4.1798	6.0342	4.3978	5.4009	4.4921	5.6795	4.8545	4.7205	5.7394	4.3690	4.5376	4.6232	3.7420	5.6109	4.1396	4.7283	4.3192	4.1951	3.6761	3.9899	4.0012	3.8244	4.1792	4.7852	4.2918	4.5746	3.7571	4.4333	4.8436	3.9602	4.4981	4.4314	4.4221	4.2238	3.9941	3.6795	5.4503	4.1632	4.0986	4.3923	3.7370	4.4924	3.9437
Octopamine	Octopamine	3.1904	3.2855	2.8253	3.4051	3.2054	3.2396	3.0347	3.0334	3.3633	3.1613	2.9949	3.1624	3.0295	2.9852	2.8342	3.1305	3.7725	3.1403	3.4858	2.8345	3.0865	3.0328	3.2707	2.7709	3.1069	3.3360	3.0123	2.5358	2.8563	2.8006	2.8355	2.8513	3.0984	3.6820	2.7810	2.5863	2.8530	2.8932	3.1848	3.9206	2.7571	3.0275	2.8853	2.9458	2.9486	3.0876	3.0359	3.5846	2.9580	2.8804	2.9822	3.3905	3.0379	2.5317	2.8279	2.8845	3.8958	3.1544	3.2539
O-Phosphoserine	DL-O-Phosphoserine	3.9269	3.6520	3.7977	3.2851	3.7537	3.7115	3.7938	3.8427	3.8256	3.4768	3.8423	3.7965	3.9554	3.8289	3.7308	3.7690	3.5605	3.7381	3.7889	3.8837	3.2941	3.9071	3.9841	3.7656	3.7781	3.7120	3.7168	3.9397	3.8454	3.7482	3.9816	3.9766	3.6874	3.5708	3.9051	3.8020	3.9205	4.0599	3.8117	3.7076	3.8782	4.0787	3.9877	3.9029	3.9086	3.6624	3.5248	3.7137	3.6328	4.1244	3.7839	3.8396	3.6041	3.8049	3.7925	3.9848	4.0985	4.0400	3.6377
Ophthalmate	Ophthalmic acid	4.0517	3.9089	3.4236	4.5931	4.7325	4.1088	4.0294	3.6774	4.9685	4.8765	3.9109	3.4282	4.0926	3.4177	4.3046	3.6517	4.8346	4.8020	5.2700	3.2979	4.3238	3.1821	4.5473	5.0396	4.5577	5.5566	5.9952	5.3425	6.1239	5.6077	5.3457	5.8307	3.9635	5.1399	4.8620	5.1482	5.3887	5.8376	4.5338	3.9374	5.5264	5.7099	6.0622	5.5390	5.7629	5.3997	4.1263	4.8350	4.7553	5.5156	6.2369	5.6726	5.0219	6.1836	4.4474	5.3919	5.7042	6.0607	5.5481
Ornithine	Ornithine	4.2143	4.5401	4.3046	4.6638	4.6588	4.2911	4.3461	4.5397	4.4986	4.1742	4.2082	4.3408	4.4408	4.2684	4.9647	4.4764	5.3929	4.1908	4.3890	4.4181	4.1181	4.3021	4.7351	4.7681	4.5274	4.2896	5.4637	4.0443	4.5354	4.7810	4.3621	4.2198	4.6276	4.6037	4.3503	4.2009	4.2317	4.6363	4.4536	5.3035	4.5269	4.3742	5.2551	4.5618	4.7960	4.7457	4.2266	4.9329	4.6604	4.5272	4.6234	4.5905	4.3491	4.5536	4.3417	4.4820	5.0151	4.4804	4.5825
Orotate	Orotic acid	3.8143	3.8418	3.7510	4.0346	3.7763	3.5653	3.7206	3.8298	4.0483	4.0797	3.6798	3.7396	3.5777	3.6514	3.4707	3.7287	4.4755	3.6590	4.0282	3.5978	3.8954	3.6333	3.6799	3.5633	3.7641	3.8832	3.6113	3.6108	3.7070	3.5537	3.5432	3.5663	3.8666	3.9584	3.9057	3.6982	3.7622	3.5890	3.8494	4.5799	3.2751	3.5909	3.4600	3.4993	3.7236	3.6715	3.7816	4.5233	3.8288	3.8651	3.7750	4.1044	3.6459	3.4823	3.6575	3.5437	3.8615	3.8684	4.1511
O-Succinylcarnitine	CAR DC4:0	5.1732	5.2080	4.9660	4.9955	5.1094	4.8668	5.1047	4.9254	4.4973	4.5786	5.2872	4.7486	4.9823	5.2722	5.3732	5.1888	4.5700	5.3963	4.6291	5.2276	4.2214	4.9155	4.8233	4.2988	5.1046	4.5806	4.8839	5.0839	5.1633	5.7965	4.9866	5.2576	4.6758	4.2722	4.4167	4.9467	4.8590	4.4638	5.0128	4.8345	5.3566	5.1572	5.3441	4.7606	5.1620	4.8358	4.9443	4.7736	4.3909	4.8903	5.4787	4.5708	4.8943	5.4359	4.8349	5.5940	5.1872	4.9583	4.6496
O-Succinyl homoserine	o-Succinylhomoserine	3.6176	3.5773	2.9575	3.5809	3.3418	3.5028	3.2265	3.2893	4.0256	3.2469	3.0129	3.6311	3.1843	3.0272	3.2980	3.5226	4.3287	3.2632	3.1234	2.9822	2.9340	3.1852	3.6852	3.2840	3.2680	4.1022	3.2635	2.8692	3.2715	3.7688	2.9705	3.0884	3.7428	4.8859	2.8457	3.3792	3.1394	3.4823	3.5729	3.8460	3.4369	3.6496	3.2393	3.5051	3.4703	3.4292	3.1510	3.9915	3.1024	3.4618	3.7461	3.6869	3.4101	3.2863	3.7315	3.2505	3.6151	3.8205	3.5625
Oxoadipate	Oxoadipic acid	3.5430	3.5444	4.0022	3.9557	3.6868	4.1539	3.5159	3.9638	3.4430	3.8936	3.6974	3.5762	3.7124	3.5972	3.1988	3.6442	4.1799	3.3810	4.2940	3.7093	3.5149	3.7023	3.8164	3.1263	3.6177	3.9867	3.5981	3.4781	3.4550	4.3317	3.6333	3.1904	3.3231	3.6469	3.9446	4.1222	3.3364	3.5326	3.3623	4.3999	4.1001	3.4442	4.2210	3.9669	4.2093	3.7791	4.0574	3.8554	3.5734	3.7903	3.6199	3.8010	3.5067	3.9312	3.4855	3.7039	4.2310	3.8372	3.8093
Oxoproline	Oxoproline	6.6615	6.5568	6.5035	6.6291	6.6899	6.3785	6.6167	6.6318	6.8044	7.3022	6.5329	6.7792	6.4851	6.6846	6.8117	6.6676	7.1834	6.4125	6.5311	6.6460	7.1300	6.6285	6.5000	6.4335	6.6185	6.7490	6.8895	6.7535	6.1827	6.4440	6.5757	6.4991	6.8852	6.8952	6.4325	6.5551	6.6296	6.7083	7.0250	6.9509	6.4922	6.5714	7.0928	6.9791	6.7251	6.7906	6.4127	6.9391	6.3985	6.8661	6.8764	6.9455	6.5062	6.6637	6.6166	6.5723	6.9872	6.6123	6.7408
Pantothenate	Pantothenic acid	5.8587	6.0540	6.7437	6.2011	5.8837	6.6570	6.4443	6.3291	5.7805	5.5077	6.0993	6.2356	6.7381	6.4680	6.0955	6.6679	5.9294	6.2351	5.6555	6.6172	5.7171	6.6875	6.2491	6.4829	6.2458	5.5311	5.4276	5.8549	5.8539	5.8261	6.6308	4.8860	6.1625	5.7217	5.6470	6.2300	6.0757	5.9578	5.9407	5.2182	5.7745	6.1606	5.3315	5.2415	6.0122	5.6940	5.8072	4.9108	5.8127	5.9996	5.2929	5.0007	6.1853	6.0847	5.8602	5.9834	5.6866	5.5697	5.3848
Phenethylamine	Phenylethylamine	4.3181	4.3848	4.6537	4.7101	4.5495	4.6266	4.3938	4.4640	4.8344	4.7779	4.2684	4.3774	4.5621	4.3916	4.3425	4.4729	5.0630	4.1896	4.4267	4.2545	4.4906	4.3162	4.7164	3.7510	4.8099	4.7112	3.6785	4.2809	4.4434	4.4830	4.4652	4.5509	4.0574	3.9874	4.6722	4.0052	4.4864	4.5636	4.0935	4.9030	4.6358	4.5467	4.1207	4.0355	4.3627	3.8856	3.8958	5.1957	4.0714	4.6119	4.3305	4.9200	4.5631	3.8709	3.9645	3.2675	5.2679	4.4003	4.4158
Phenylacetate	Phenyl acetate	3.9965	3.1197	3.0681	3.4093	3.5589	3.4511	3.2435	3.0905	3.2579	3.9467	3.4148	3.1652	3.0532	2.9233	2.8540	3.1369	3.9622	3.1433	4.5631	3.1746	3.4327	2.8790	3.1395	2.7969	3.1782	3.3261	3.0880	2.8764	2.8544	2.8027	3.0168	3.2737	2.9930	3.5781	3.0517	2.9696	3.1231	2.8845	2.8518	3.9343	2.5261	3.0871	2.9588	2.8557	2.6402	2.9209	4.3616	3.6955	3.1236	3.2251	2.8772	3.4570	3.0435	2.7050	3.4403	2.7754	3.2041	3.1923	3.3075
Phenylalanine	Phenylalanine	6.4752	6.5448	6.5052	6.7008	6.4419	6.5569	6.6098	6.5664	6.2401	6.4789	6.4832	6.5418	6.5753	6.4784	6.9868	6.6157	6.6372	6.4249	6.5898	6.6154	6.5959	6.6230	6.5650	6.8483	6.4055	6.6465	6.4972	6.5102	6.5425	6.5284	6.6518	6.2749	6.7491	6.9138	6.5644	6.4781	6.5824	6.3959	6.6873	7.2804	6.5831	6.4858	6.5019	6.3698	6.4583	6.6128	6.5718	6.8641	6.4417	6.4421	6.3763	6.5415	6.4799	6.5058	6.7166	6.4882	6.3983	6.4310	6.4658
Phenylethanolamine	2-Hydroxyphenethylamine	3.4360	2.8310	2.9604	3.1622	3.3606	3.6812	3.2523	3.2554	3.4731	3.1487	3.3350	2.9267	3.0836	2.9505	3.0673	3.0558	3.3964	3.0946	3.0556	2.7626	2.8671	2.7829	3.0069	3.1234	3.2703	3.3693	2.5950	2.7227	2.7011	3.2768	2.8701	3.6001	3.6872	3.5827	3.0674	2.6439	2.7436	2.9116	3.4728	3.4852	3.5784	3.2461	2.8022	2.7654	2.7974	2.7325	2.9580	3.4373	2.9750	2.9862	2.8204	3.0936	2.8482	2.6849	2.5966	2.7657	3.2704	2.8948	3.0870
Phenyllactate	Phenyllactic acid	3.6579	4.5713	4.2064	5.4061	4.7348	4.3895	4.1332	4.0208	4.0255	3.6579	4.1107	4.6603	4.1749	4.2751	3.8836	4.2493	4.8240	4.1298	3.9881	4.4707	4.6475	4.1840	4.0315	3.7752	4.5030	3.7119	3.2381	4.8177	4.2458	4.2448	4.5618	4.2768	3.5132	4.2260	5.2099	4.3366	4.4777	3.8114	3.4807	6.2936	3.9998	4.0313	3.2646	3.4113	3.7382	4.2559	3.9629	5.3500	4.3743	4.1353	3.9054	4.2291	4.2904	4.2946	3.6816	3.7216	3.7158	4.0989	4.4803
Phosphocreatine	Phosphocreatine	3.0663	2.9386	2.7015	2.5824	2.9552	2.9995	2.3928	2.7627	2.8840	3.1428	2.7251	2.6656	2.5738	2.5380	2.5060	2.8261	3.2347	2.8116	2.6509	2.4154	3.0507	2.4167	2.9183	2.6825	2.7878	3.0777	2.4872	2.8273	2.7977	2.7698	2.5443	2.8104	2.6087	3.1712	2.7235	2.6271	2.9029	3.0489	2.8494	2.9286	2.9148	2.8797	2.4256	2.7751	2.7864	2.4917	2.4238	3.0912	2.7563	2.7919	2.9562	2.8336	2.8224	2.6439	2.7018	2.7345	3.0940	2.6786	2.8114
Phosphoethanolamine	Phosphoethanolamine	5.6487	5.8643	5.6898	5.4000	5.9474	5.7628	5.8258	5.5829	5.9151	5.2859	5.7144	5.7370	5.7570	5.6975	5.4768	5.8576	5.7227	5.6188	5.2163	5.5649	5.5231	5.6643	5.8209	5.3204	5.9269	5.6338	5.4830	5.9599	5.7685	5.3828	5.4366	5.5014	5.2991	5.4616	5.8338	5.5097	5.8817	5.6557	5.3253	5.4876	5.4761	5.3944	5.2876	5.7372	5.4603	5.5662	4.8617	5.6315	5.6412	5.7939	5.3907	5.6597	5.8229	5.1841	5.1661	5.6026	5.6665	5.6553	5.6929
Phosphorylcholine	Choline phosphate	6.0830	6.5092	6.2466	5.3082	6.2213	6.2188	6.0530	6.3650	6.2542	6.1018	6.1331	6.2608	6.2987	6.2082	5.9140	6.4914	5.4929	6.4413	5.8998	6.0703	6.1202	6.1218	6.3861	6.0646	6.4308	6.1491	6.0853	5.8933	6.4839	6.1535	5.6512	6.0492	5.7566	5.4782	5.9286	6.4634	6.2631	6.6877	5.5133	5.0781	6.2374	6.1907	6.0182	6.5611	6.3852	6.0223	5.5989	5.3826	6.1856	6.3071	6.5172	6.3118	6.3919	6.0978	6.5098	5.9928	6.1471	6.1649	6.3307
Phosphoserine	Phosphoserine	4.0493	3.9914	4.0025	3.7575	4.0863	3.9275	4.1128	3.8631	4.2483	4.1660	3.9107	4.0748	4.1760	3.9519	3.8268	4.1488	3.9227	3.8036	4.4353	4.1290	3.9768	4.1169	4.0422	3.9156	4.2040	4.1997	4.3220	4.1888	4.3226	3.7821	4.2127	4.0210	3.9492	4.2224	4.2013	3.9919	4.3154	4.3981	4.0865	4.1953	3.8455	4.1115	4.5788	4.3537	4.2534	4.2596	4.0635	4.0405	4.0207	4.6705	3.9538	4.4022	4.0318	4.2058	3.8833	4.3023	4.7568	4.2323	4.1977
Pipecolate	Pipecolic acid	4.6699	4.0881	4.3558	5.3450	4.3287	4.5192	4.2901	4.3929	4.6161	4.5505	4.5864	4.3278	4.5830	4.1911	4.9886	4.4484	4.6793	4.1948	4.6099	4.2431	4.5009	4.2517	4.3104	4.9018	4.3427	4.8113	4.7453	4.3212	4.5736	4.1047	4.8071	4.3898	4.9000	4.6905	4.9701	4.1827	4.2348	4.2621	4.7504	5.2671	4.7476	4.3477	4.4459	4.1932	4.5215	4.3111	4.5692	5.0794	5.0090	4.2213	4.3929	4.6518	4.3466	4.0362	4.2358	4.4623	4.6354	4.4878	4.6460
Porphobilinogen	Porphobilinogen	2.8031	3.2754	2.3611	2.8253	2.6123	2.7910	2.6414	2.6982	2.7719	3.1887	2.8424	2.6683	2.4023	2.1263	2.2915	2.5625	3.1888	2.5516	2.7578	3.0135	3.1025	2.6433	2.8501	2.4988	2.7772	3.2326	2.4398	2.8727	2.8160	2.7418	2.7436	2.5027	3.2596	3.5745	2.6707	2.2011	2.5998	2.7624	3.1202	3.1914	2.4540	2.8178	2.6175	2.4226	2.6115	2.5031	2.6243	3.2025	2.5912	2.7488	2.5599	2.8618	2.8148	2.5527	2.7026	2.5656	2.7111	2.6350	2.7555
Proline	Proline	6.2078	6.2605	6.0848	6.6033	6.1730	6.2398	6.3329	6.2318	6.3649	6.3566	6.0018	6.1556	6.2397	6.1490	6.1865	6.3227	6.3158	5.9928	6.4009	6.2811	6.6946	6.1989	6.3335	6.1389	6.2180	6.2002	6.3891	6.5237	6.1395	6.0591	6.5163	5.8587	6.2574	6.3802	6.4965	5.9365	6.3754	6.1513	6.1200	6.9570	6.3753	6.2312	6.2190	6.0239	6.1331	6.3119	6.2734	6.9239	6.1924	6.3556	6.2238	6.2929	6.1068	6.1438	6.4298	6.4775	6.1523	6.1995	6.2552
Propionylcholine	Propionylcholine	4.6994	4.4860	4.6181	4.7477	4.8053	4.4686	4.7691	4.6598	4.6504	4.3192	4.6223	4.7094	4.7823	4.2851	4.6015	4.7938	4.6742	4.4656	4.4245	4.3123	4.4801	4.7297	4.4939	3.4317	4.9455	4.4734	3.9070	4.6485	4.5014	4.7174	4.5821	4.8703	4.4119	4.3234	4.4574	4.4409	5.0048	4.5263	4.5642	4.9165	4.4673	4.1222	4.3550	4.2938	4.4457	4.5807	3.9629	4.4513	4.3907	4.8081	4.4564	4.5880	4.4208	4.1797	4.3891	4.6643	4.6563	4.7347	4.5666
Pterin	Pterin	3.2778	3.1941	3.3912	3.2640	3.4720	3.3180	3.4161	3.3413	3.1693	3.9134	3.4257	3.2309	3.1906	3.0196	3.9884	3.3960	3.7915	2.9750	4.2176	2.9531	4.0782	3.3830	3.5410	3.1404	3.3121	3.4128	2.9564	3.0232	2.6690	2.5429	2.8864	2.9116	2.8295	3.3620	3.1683	2.4590	3.0706	2.9299	2.6537	3.8455	2.3314	2.8775	2.8411	2.9860	2.7320	2.9816	4.2383	3.6247	3.1535	2.8723	2.5275	3.2823	3.3449	2.5138	3.7159	2.7955	3.2588	2.7934	3.1862
Putrescine	Putrescine	2.4582	2.5796	1.8261	3.4096	2.1125	2.1453	2.4795	2.6939	2.5760	2.5346	2.3694	2.3103	2.5058	1.9610	2.2145	2.6886	3.1327	2.6840	2.8141	2.2347	2.9200	2.0340	2.5793	2.3150	2.5125	2.7557	2.3009	3.0717	2.5052	2.7650	3.3354	2.9342	2.9449	3.4003	2.6920	2.6859	3.3866	2.9875	3.0858	3.0745	2.4373	2.9337	2.5048	3.0913	2.6935	2.5128	3.2363	3.2877	2.8939	2.8598	2.5108	2.9168	1.9211	2.8171	2.4641	2.7958	2.9499	2.7683	2.7415
Putrescine-NH3	Putrescine	3.1886	3.1148	2.7264	3.4491	2.9149	2.9447	2.6945	2.9969	3.1816	2.8829	3.0914	3.0681	2.9100	2.8976	3.2191	2.9687	3.6677	3.1696	3.0897	3.0516	3.1430	2.8544	3.0417	3.2257	2.9226	3.6990	2.9792	3.3310	3.4577	3.3273	3.3596	3.5423	3.4985	3.3661	3.1987	3.2096	3.2861	3.3087	3.1663	3.2319	3.1844	3.4266	3.2653	3.4434	3.1184	3.4243	3.4685	3.4709	3.5915	3.3506	3.1802	3.3794	3.0293	3.3870	3.3149	3.5136	3.5476	3.1019	3.3218
Pyridoxal	Pyridoxal	4.5547	4.1793	4.0408	4.0020	4.0119	3.8658	4.2850	3.9652	4.4066	3.7273	3.9987	3.5962	4.0111	3.9528	3.3438	3.9229	4.6792	3.9776	3.9784	4.1358	3.7584	3.9890	3.7239	3.5174	4.0964	4.1735	4.1269	3.6663	4.6145	3.8168	3.3851	4.3420	4.3151	4.1442	3.6680	3.6989	3.7438	3.7736	4.5553	4.6843	4.3486	4.6412	4.2065	4.0013	3.9954	4.1451	4.0937	4.1557	4.3534	4.5271	3.8541	4.1543	4.0241	3.5485	3.6248	4.0391	4.7521	4.2699	3.8060
Pyridoxine	Pyridoxine	3.7127	3.9855	4.1452	3.8787	3.5523	4.2123	4.1495	4.2292	3.7966	4.4892	3.6500	3.9976	4.2494	3.9049	3.2792	4.0296	4.3103	3.9424	3.8253	3.7186	3.9012	3.9508	4.2566	3.5101	3.9499	4.0511	3.7470	3.8460	3.3897	4.0131	3.8125	4.1156	3.6473	4.4496	3.5729	3.6043	3.8525	3.7007	4.2695	4.1630	3.9558	3.6402	3.7046	3.8098	4.1564	3.6154	3.7766	4.0729	3.4650	3.7042	3.7546	3.9136	3.8917	3.5854	3.5534	3.5979	3.9468	4.0830	3.6939
Pyrocatechol	Pyrocatechol	3.9024	5.2402	3.7684	3.7825	4.0774	3.9491	3.7368	4.1360	3.6479	4.4039	5.2782	3.9939	3.5743	3.6498	3.5234	3.9941	4.3951	4.2819	4.3854	3.7529	4.1592	3.1463	3.8259	3.5669	3.6655	3.4990	3.4230	3.4171	3.4892	3.2314	3.4782	3.6315	3.3536	3.6339	3.6242	3.3095	3.3673	3.3251	4.4208	4.4022	3.0866	3.4322	2.9917	3.3655	3.4824	3.3598	4.3271	4.0149	3.2848	3.2603	3.2009	3.8325	4.1968	3.1152	3.8480	3.0117	3.6123	3.3219	3.7636
Pyroglutamate	Pyroglutamic acid	6.6610	6.5561	6.5029	6.6289	6.6898	6.3783	6.6161	6.6308	6.8042	7.3022	6.5323	6.7783	6.4849	6.6843	6.8111	6.6671	7.1830	6.4124	6.5310	6.6459	7.1296	6.6285	6.4997	6.4332	6.6183	6.7487	6.8891	6.7535	6.1821	6.4438	6.5754	6.4990	6.8851	6.8945	6.4318	6.5547	6.6295	6.7081	7.0238	6.9504	6.4910	6.5709	7.0925	6.9791	6.7248	6.7899	6.4123	6.9387	6.3982	6.8658	6.8761	6.9451	6.5056	6.6631	6.6165	6.5721	6.9871	6.6117	6.7407
Pyruvate	Pyruvic acid	4.4958	4.6993	4.7490	4.8916	4.4938	4.6814	4.6549	4.6380	4.8044	4.5299	4.6893	4.5892	4.6551	4.5652	4.5339	4.6505	5.0455	4.6622	4.7622	4.7883	5.2247	4.6637	4.5607	4.5707	4.6514	4.5075	4.6223	4.7406	4.8888	4.7592	4.6198	4.9651	4.6873	5.0380	4.8312	4.7660	4.7149	4.5682	4.6608	5.5417	4.7305	4.7658	4.4307	4.4289	4.6381	4.6790	4.6380	5.3769	4.9003	4.8897	4.6054	5.0297	4.6805	4.8156	4.4555	4.7357	4.6469	4.5853	4.8116
Quinate	Quinic acid	4.7703	4.5960	5.4949	5.5415	6.0109	5.6649	5.8620	6.4862	5.4211	5.0917	6.0850	5.4887	3.3981	4.7557	3.7466	5.5898	3.6816	4.2582	3.7983	4.9041	4.1447	4.9672	4.2710	3.6676	5.5218	3.5622	5.6816	3.5409	5.0122	3.1934	5.5021	5.7313	5.1269	5.7094	5.1291	5.8194	5.8749	5.0147	5.3767	5.4021	3.6522	4.4302	4.8060	3.9731	5.0534	3.1102	3.7051	4.2983	3.8270	5.7995	3.8847	5.0740	5.5917	4.8318	4.3636	5.1323	5.4034	4.5478	3.9920
Raffinose	Raffinose	3.2258	4.0363	3.3691	3.2495	3.2427	3.3433	3.3225	3.3373	3.5519	3.5207	3.1527	3.2257	3.5641	3.0528	3.1961	3.2868	4.7988	3.1440	3.6921	2.9990	3.0912	3.1022	4.0077	3.1320	3.9755	3.4586	3.1805	3.6353	3.5667	5.1991	3.3041	3.3418	3.2611	3.3334	3.4678	3.3327	3.4150	3.1328	3.0459	3.7813	3.6276	3.7245	3.9088	3.1891	3.9084	3.9194	3.5941	4.4947	3.2511	4.8945	3.6363	5.7657	3.3977	3.3518	3.4820	3.3515	5.2745	4.0202	3.8682
Ribitol	Ribitol	2.7832	2.2939	2.5867	2.2205	2.3963	2.2882	2.6530	2.5618	2.6788	2.9454	2.3911	2.5104	2.7158	2.3861	2.1223	2.7422	2.9992	2.3399	2.6477	2.3225	2.7085	2.2887	2.5291	2.4164	2.8393	3.0115	2.1792	2.4298	2.2332	2.5317	2.3289	2.4726	2.1417	2.8909	2.7738	2.3303	2.6263	2.3890	2.5231	2.5796	2.7628	2.5156	2.3032	2.2037	2.5038	2.0152	2.1413	2.7959	2.1620	2.5945	2.5456	2.5394	2.4525	2.1353	2.2482	2.3375	2.6003	2.3470	2.4914
Riboflavin	Riboflavin	4.7014	4.7027	3.8705	3.5823	4.3378	4.0957	3.9510	3.8034	3.5150	3.7571	3.5065	3.5294	4.1957	3.2173	5.7698	3.5149	4.7702	5.4288	4.6820	3.3847	3.9519	3.6863	4.4386	5.0043	3.9779	3.4722	3.1848	3.4976	3.1607	3.0290	3.2024	3.1371	3.9452	3.7856	3.3480	3.5381	3.2470	3.5422	3.5025	4.1072	3.3065	3.6345	3.0212	3.3264	3.3479	3.4187	4.0928	3.7771	3.8735	3.6184	3.2597	4.3749	3.9761	3.0816	4.5029	2.8087	3.5127	3.7520	3.8477
Ribose 5-phosphate	Ribose 5-phosphate	4.2529	4.2433	4.2550	4.1371	3.8940	4.0202	4.2096	4.0870	4.0324	4.2372	4.2149	4.2181	4.2716	4.1524	4.5387	4.0991	4.3632	4.1775	4.5299	4.0499	3.9920	4.1896	3.9418	4.3428	3.9001	4.3617	4.0912	4.2802	4.1951	4.1680	3.8654	3.9282	4.2327	4.2616	4.4584	4.3577	4.2996	4.2929	4.0597	4.5381	4.5468	3.9870	4.6250	4.2871	4.0609	4.0808	4.4596	4.4297	4.6605	4.1517	4.1797	4.4856	4.0998	4.1191	4.0809	4.1135	4.1918	3.8588	4.1398
Saccharate	Glucaric acid	4.6460	4.9858	4.5073	4.1608	4.5322	4.5571	4.5981	4.7609	4.6473	4.2652	4.4592	4.5456	4.7228	4.5288	4.5558	4.7020	4.4611	4.5959	5.0823	4.5188	3.9120	4.2707	4.5088	4.3560	4.6031	4.3187	4.4284	4.7385	4.3676	5.1341	4.4102	4.2981	4.1525	4.4017	4.7315	5.1119	5.1765	4.8450	4.3424	4.7402	4.6220	4.6512	4.4114	4.7702	4.6655	4.2128	4.9979	4.6078	4.3538	5.4232	4.6352	4.4451	4.6616	5.6250	4.1265	4.3691	4.5073	4.2837	4.4265
S-adenosylhomocysteine	S-Adenosylhomocysteine	4.4698	5.3598	5.5822	5.0463	5.2186	5.2931	5.3611	5.6497	5.2146	3.9941	5.6637	5.6059	5.5590	5.5843	5.6903	5.5447	5.0161	5.2817	4.5294	5.2964	5.2872	5.5702	5.2976	5.3254	5.5450	5.1747	5.1003	5.7892	4.7220	4.8129	5.5651	4.9762	5.2493	5.0121	5.4850	4.9367	5.3281	5.0521	5.2324	5.1790	5.4026	4.6901	5.1708	5.5585	5.1515	5.1507	4.1170	4.8041	5.2916	4.9632	4.7496	4.8716	5.2045	5.0339	4.2940	4.8643	5.1928	5.3761	4.8967
S-Adenosylmethionine	S-Adenosylmethionine	4.8102	4.5707	4.2733	3.6629	3.9853	4.2964	3.9144	4.4294	4.0413	3.6471	4.3843	3.8971	4.2060	4.0755	4.8543	4.0578	3.7688	4.8500	3.9498	3.9120	4.2447	3.8979	4.4552	4.3878	4.1337	3.6219	4.1502	5.1019	4.4443	4.7892	4.7990	4.1001	3.8062	3.4756	4.1482	5.0188	4.2066	4.7099	3.6581	3.3690	5.4756	4.5899	3.8509	4.0970	4.4104	3.5864	3.9891	4.1101	4.4154	3.8290	4.5605	3.8475	3.9972	4.6301	4.6306	4.4277	4.0291	4.3209	3.9735
Salicylamide	Salicylamide	2.8462	3.0998	2.9640	3.1541	3.0238	3.0739	4.2015	2.8249	2.8622	4.6039	2.8505	2.7637	2.8508	2.8816	2.8280	3.0446	3.8355	2.8799	3.9225	2.8321	3.2082	2.8471	3.2564	2.7106	2.9996	3.3107	3.1500	2.5503	2.9906	2.6014	2.5612	3.0969	2.7911	3.6799	2.9422	2.7653	2.9688	2.6035	2.7925	3.9857	2.4236	3.0055	3.0627	2.9726	2.9483	3.0651	3.6554	3.7207	3.0489	3.2115	2.7017	3.3666	3.0724	2.8578	3.2958	2.8611	2.9747	2.8827	3.4794
Salsolinol	Salsolinol	3.7145	3.5490	3.9330	4.3141	3.4976	3.8520	3.6920	3.9265	3.7308	3.6807	3.8967	3.6556	3.9786	3.5072	3.2053	3.8421	3.8330	3.4442	3.8594	3.7651	3.8839	3.7267	3.5663	3.2767	3.7135	3.6395	4.0974	4.0141	4.2381	4.1607	4.1034	4.0868	3.9081	3.4627	3.6108	4.3981	4.3981	3.9067	3.8398	4.2587	4.0108	4.3747	3.8198	3.6309	3.9880	3.7868	4.0407	3.9424	3.7729	4.0374	4.0849	3.7914	3.5445	4.0177	3.5077	3.9286	3.6842	3.9791	4.0050
Sarcosine	Sarcosine	4.0429	4.0760	4.0628	3.9889	4.3415	4.1786	4.1791	4.1702	4.1438	3.9387	3.9990	3.9948	3.9833	4.1001	4.4478	4.2069	4.4674	3.9289	3.8857	4.0651	3.8291	3.9615	4.2777	4.3443	4.0761	3.8599	4.1866	3.7876	4.1586	4.4607	3.9780	4.2134	4.1057	3.7669	4.0235	4.3631	4.0081	4.4406	4.2342	4.2150	4.3021	4.1542	4.0915	3.9713	4.2485	3.9463	3.9965	4.6494	3.9545	4.3433	4.3229	3.9942	4.1859	3.9741	4.4203	4.3963	4.5328	4.3776	4.0472
S-Carboxymethylcysteine	S-Carboxymethyl-cysteine	3.1684	3.5687	3.2523	2.8829	3.0917	3.3045	3.2147	3.3522	2.9489	3.0281	3.2046	3.1418	3.2196	3.4473	3.3283	3.1466	3.2110	3.0299	2.8067	3.4893	3.0434	3.2544	2.9068	3.2125	2.7154	3.1375	3.0798	2.8559	2.6911	3.1188	2.8426	2.6924	2.8523	2.6244	2.7259	2.7117	2.7946	2.7635	3.0975	2.9509	3.0811	2.8628	3.0109	3.1925	2.7620	2.7578	2.7879	3.0536	2.7353	2.8672	2.8506	2.7443	3.0949	3.0050	2.8797	3.3226	2.8660	2.7364	2.4937
Sebacate	Sebacic acid	4.6456	4.6384	4.2914	4.6013	4.4116	4.6432	4.6313	4.5394	4.7723	3.9957	4.6338	4.6802	4.5809	4.6348	5.1904	4.9684	5.1730	4.7969	4.0796	4.6766	4.7208	4.5886	4.6743	4.2191	4.9727	4.5561	3.7556	4.5701	4.1761	4.3094	4.0948	3.8789	4.2075	5.0998	4.9488	4.1276	4.7837	4.2664	4.4917	5.3602	4.0482	4.9252	3.4397	4.1277	4.3915	4.2224	3.9470	5.8912	4.2658	4.5348	4.2073	5.1019	4.6254	4.3090	3.4537	3.8504	4.5078	4.4543	4.9506
Sedoheptulose 7-phosphate	Sedoheptulose 7-phosphate	4.3879	3.8993	4.0718	3.7937	4.6747	4.3482	4.4522	4.1778	4.6641	4.3616	3.7951	3.8181	4.3553	3.7508	3.5680	4.1263	5.0283	4.1453	5.1877	3.5093	3.5649	3.6531	4.7737	3.8957	4.5348	3.8441	3.8887	4.8818	4.7464	4.2632	4.3816	3.9274	4.1421	4.3944	3.8274	4.5143	4.6308	5.0379	3.8703	3.9761	4.2779	4.3042	3.6936	4.2497	4.2765	3.7412	4.8196	4.5169	4.4482	4.7090	3.9900	4.5425	4.4688	4.2814	4.7661	4.3262	4.7040	4.0740	4.4579
Serine	Serine	4.2309	4.4219	4.3711	4.4364	5.0398	4.3583	4.4392	4.3725	4.6042	4.4399	4.2080	4.1596	4.0917	4.1249	4.9745	4.1714	5.6384	3.9551	4.5816	4.2060	4.1346	4.1297	5.1981	4.7267	4.5163	4.3613	4.4867	4.1481	4.3433	4.2420	4.1543	3.7107	4.3379	4.5478	4.1068	4.0904	4.1536	4.3866	4.1284	4.7957	4.1643	4.0275	4.4190	4.2726	4.1392	4.3093	4.1863	5.0082	4.2641	4.3374	4.3647	5.0530	4.6040	4.3621	4.4594	4.2013	5.0109	4.2313	4.4607
Serotonin	Serotonin	3.0580	2.9893	2.7528	3.4868	3.2795	2.9711	3.0378	3.0590	3.1081	3.6748	3.1799	3.1151	2.9109	2.7457	2.7781	2.8872	3.8703	3.0066	3.1636	2.8193	3.1005	2.8855	3.0355	2.9019	3.0240	3.8450	2.5305	2.6726	2.7111	3.2216	2.8180	3.1441	3.1236	4.0507	2.8143	2.6795	2.7930	2.6649	3.8172	3.5973	2.9512	3.2733	2.7865	2.4711	2.8224	3.4437	3.0502	3.7402	2.8350	2.9789	2.7996	3.0029	2.7558	2.7103	2.6223	2.4094	3.3332	2.8424	2.9640
S-Methylthioadenosine	5'-Methylthioadenosine	5.6798	5.4113	4.7946	4.9596	5.0603	5.1230	4.7927	4.9526	4.8711	4.7447	5.5218	5.1172	5.0988	4.9957	4.7029	5.1510	4.6121	5.1362	5.2269	4.9928	4.7086	5.0486	5.2670	3.9185	4.9408	4.7628	5.2262	5.7013	5.7002	5.6238	5.4820	4.9420	4.6537	4.6448	5.4448	5.5419	5.3856	5.1108	5.1071	5.3593	5.7233	5.4941	5.5405	5.0286	5.6864	5.1823	5.3935	5.5730	5.1269	5.3643	5.5899	5.3342	5.1584	5.3297	5.5297	4.9756	5.4874	5.7505	5.6760
Sorbate	Sorbic acid	3.1233	3.2882	2.9940	3.3716	3.1752	3.1107	3.0784	3.2058	3.3099	3.5998	3.1884	3.0654	3.0867	2.9442	2.9015	3.1314	4.0369	3.1298	4.0739	2.9928	3.2747	3.0460	3.3632	2.9519	3.0930	3.7750	3.6184	2.9446	3.2948	2.7300	2.8613	3.0648	3.0662	3.7456	3.2182	2.9059	3.1292	2.7439	3.3579	4.1749	2.7739	3.0776	3.6022	3.4159	3.2905	3.4843	3.8056	3.6584	2.8759	3.4461	2.9524	3.5465	3.1180	2.9795	3.4890	3.1021	3.8258	3.0735	3.3700
Sorbitol	Sorbitol	2.3987	3.7127	2.7457	3.6726	2.6063	3.1602	2.5234	2.5211	2.6924	3.3517	2.4711	2.5205	2.6372	2.5162	1.8700	2.7037	4.3116	2.6408	2.7549	2.3157	3.9288	2.1259	2.6461	2.2085	2.7736	2.8707	2.3341	2.7594	3.1104	2.9801	3.0165	3.4264	3.1401	2.4258	2.5211	3.1714	2.4236	2.5753	2.2735	2.7476	3.3242	2.6849	2.6923	2.9923	2.8251	3.5599	3.1102	3.2569	2.1332	2.6534	3.1590	3.0840	2.7300	2.5439	3.2343	2.2318	2.9095	2.6286	2.7857
Spermidine	Spermidine	5.7174	5.2844	4.9178	5.2147	4.7089	4.9408	5.2013	5.2982	5.2599	4.5490	5.2262	5.4184	5.3552	5.0314	5.3583	5.2754	6.0151	5.5372	5.3643	5.3599	4.7220	5.3082	5.0002	5.4593	5.0492	5.8757	5.1952	5.6145	5.7205	5.7865	5.6038	5.9226	5.5023	6.0652	5.2069	5.4291	5.2817	5.5261	6.0325	4.9406	5.4060	5.8212	5.6330	5.7422	5.5208	5.6163	5.5809	5.3219	6.0404	5.8248	5.5363	5.6065	4.9766	5.7819	5.6244	5.7970	5.7271	5.2095	5.4556
Spermine	Spermine	5.7660	4.8339	4.5524	4.5978	4.5824	4.6298	4.8055	5.0447	5.2580	4.3882	4.8892	4.8864	4.7587	4.6876	5.9113	4.4528	5.8747	5.2258	4.9261	4.7185	5.0488	4.6839	4.6362	6.1093	4.4196	5.2813	5.4802	4.5772	5.2785	4.6443	4.5066	5.5047	5.2893	5.2053	4.8948	4.8157	4.8728	5.1695	5.1854	4.6580	4.9746	5.0456	5.7455	5.2759	5.4024	5.4557	5.1108	4.9269	5.4584	5.1826	4.8519	4.9449	4.7587	5.5487	4.8239	5.4233	5.4894	4.3810	4.5254
Stachyose	Stachyose	3.6449	4.1438	3.7665	3.9091	3.5967	4.0820	4.3748	3.5633	3.7308	3.6069	3.5095	3.5799	3.6980	3.5468	3.3152	3.8994	5.4993	3.5954	4.0907	3.4355	3.3168	4.0034	4.6293	3.3683	3.9695	3.8569	3.1396	3.8828	3.9451	5.5413	3.0199	3.5023	4.2836	4.1057	3.6559	3.1494	3.4170	3.0820	3.1981	4.5923	3.4437	4.0732	4.1956	3.0795	4.3524	4.1192	4.0781	5.2291	3.4277	5.5441	4.1770	6.1860	3.8807	3.2989	3.4924	4.2844	6.1552	4.5939	4.9129
Stearate	Stearic acid	3.1135	3.1193	3.0274	3.4168	3.0751	3.1453	2.9397	3.2131	3.3294	3.3996	2.9565	3.0667	2.7711	2.7971	3.1222	3.0144	4.2356	2.9236	3.1254	3.0430	2.8123	3.2731	3.1260	4.2935	3.0217	3.5917	3.8416	3.0364	3.0591	2.6991	2.6203	3.3537	4.1998	3.6663	3.0098	2.9462	3.0625	3.1404	3.5157	3.9048	2.8004	2.9753	3.6312	3.9771	3.4709	3.4192	2.9335	3.7127	3.8875	3.3617	3.2470	3.7042	3.0548	2.9925	2.8101	3.7290	3.4653	3.2521	3.3552
Stearoylcarnitine	CAR 18:0	3.1457	3.4429	2.8648	2.9792	3.2048	2.9930	3.1897	2.4824	4.1094	4.4284	3.3798	3.8473	2.7857	3.4403	4.3594	3.3776	3.9533	3.4463	3.2087	3.5159	4.1191	4.5605	2.8950	3.6789	3.0450	3.5520	4.7463	3.0833	3.7044	2.6706	3.2873	4.3023	5.0760	3.7501	3.0941	2.9485	2.7632	3.6969	4.0963	3.8109	3.0101	3.6393	4.3077	5.4388	4.7779	4.7587	5.8350	3.4373	4.7787	3.7257	4.0940	3.3568	3.2790	4.2164	3.9999	4.9915	3.2687	2.9664	4.1610
Suberate	Suberic acid	4.8279	4.5855	4.2900	4.8361	4.5318	4.4540	4.4138	4.4470	4.4615	4.4004	4.6468	4.5922	4.6559	4.7083	4.8854	4.2812	5.5115	4.9221	4.2275	4.3064	5.0255	4.1009	4.6118	4.4165	4.5643	4.4707	3.6472	4.3444	4.2548	4.3292	4.2280	3.7544	4.1575	4.5807	4.5277	4.3144	4.4460	4.3437	3.9429	5.3866	4.2990	4.2691	4.0747	3.8181	4.1784	4.2521	3.7328	5.0731	4.2200	4.2186	4.3507	4.7597	4.0878	4.3154	3.5781	3.6583	4.2229	4.3945	4.7568
Succinate	Succinic acid	6.6589	6.7830	6.7474	6.1635	6.6555	6.6872	6.7942	6.6493	6.3534	6.9240	6.6600	6.6885	6.5953	6.7562	6.8122	6.7874	6.4870	6.6646	6.4737	6.8375	7.4269	6.6692	6.5258	6.4754	6.6587	6.2957	6.0713	6.2981	6.2696	6.3586	6.1175	7.1919	6.5017	6.5831	6.1378	6.3510	6.0740	6.2861	6.4118	6.4023	6.5344	6.4225	6.0217	5.8946	6.2638	5.9914	6.8529	6.6057	6.1235	6.1916	6.3261	6.2289	6.4749	6.3355	6.9533	6.2869	6.3702	6.4165	6.4923
Tartrate	Tartaric acid	4.8365	4.6721	3.9677	3.9982	4.1008	3.8981	3.8792	4.2908	3.9819	4.6123	4.5485	4.1103	4.7892	4.7652	4.1282	4.9508	4.7066	4.2391	5.7242	4.4264	4.2055	3.8592	4.1269	4.1172	4.7214	4.5156	5.5916	4.3236	3.8371	3.9116	4.1231	4.0941	3.6654	3.9391	4.0404	4.0771	4.1373	3.8471	3.5085	4.5341	3.8994	3.8300	4.1262	4.0782	3.9158	3.8027	5.8469	4.4311	3.9158	4.3134	4.6000	4.4889	4.2023	4.1029	4.3316	4.0197	4.2169	3.8204	4.0245
Taurine	Taurine	7.0374	7.0038	6.9939	6.3907	7.2422	7.0317	7.0609	6.9092	7.2530	6.9822	6.9957	6.9815	7.0020	7.0028	6.8303	7.0958	6.9628	6.9480	7.5174	6.8282	6.6462	6.9766	7.0468	6.8556	7.2714	7.1144	6.7337	7.2415	7.1395	6.8841	6.8135	7.0906	6.6414	7.0059	7.1522	7.0145	7.2215	7.0553	6.6807	6.7527	6.9298	6.9490	6.6345	7.0059	6.8821	6.9523	6.9655	7.2290	7.3574	7.3056	7.0738	7.0982	7.1616	6.6591	7.1684	7.0086	7.1190	6.9060	6.9633
Tetrahydrobiopterin	Sapropterin	3.0913	2.9444	2.7019	3.1678	2.6446	2.8501	2.6853	2.8674	2.9900	3.3096	2.7204	2.6457	2.4785	2.7088	2.9560	2.8969	3.1980	2.5539	2.8163	2.6516	2.8397	2.7045	2.7416	2.9601	2.6070	2.8670	2.6959	2.5168	2.4222	2.5955	2.5869	2.7268	3.0626	3.2157	2.8930	2.4775	2.4939	2.2908	2.9946	3.4085	2.5764	2.5282	2.2629	2.6769	2.6022	2.3956	2.9767	3.4110	3.2880	2.6239	2.5778	3.0599	2.9121	2.3537	2.6299	2.7567	3.0507	2.4882	3.0398
Theobromine	Theobromine	4.0219	4.7567	3.7257	4.9516	4.7331	4.5872	4.6506	4.6777	4.8419	4.1679	4.8199	5.2480	4.3921	4.9350	3.5954	4.6876	4.7064	4.7082	4.4731	5.1302	4.4642	4.3023	5.1943	2.5573	5.2673	2.8170	3.7238	4.7552	4.0897	5.1719	4.5852	5.2229	4.3112	4.5193	4.5720	4.3312	4.5927	3.3792	4.9874	6.4577	4.4933	5.1430	4.9681	3.6163	4.6872	4.3287	4.5214	5.2214	3.0425	5.4747	3.9036	4.3886	4.3049	4.6777	4.0161	4.1287	4.5108	4.5306	5.6651
Theophylline	Theophylline	4.0575	3.5940	3.9838	5.2112	5.0561	4.7834	4.7322	4.5649	4.9299	3.9738	4.5616	4.9885	3.5296	4.8661	4.1393	4.9112	5.1531	4.5603	3.6881	4.5618	4.6532	4.6502	4.6257	2.7302	4.5575	3.0899	3.8811	3.7782	3.8189	4.9763	4.6558	5.3437	4.8493	5.2132	4.6958	4.4550	4.6775	3.5792	5.0031	6.1588	3.8802	4.1006	4.7083	4.0962	5.1601	4.5190	3.3847	5.5756	2.8426	4.5770	4.1424	4.9271	4.2680	4.1083	3.0967	4.1809	4.3760	4.8717	4.8946
Thiamine monophosphate	Thiamine monophosphate	3.4425	3.1793	3.0339	3.0208	2.9831	3.1248	3.1576	3.1525	3.2180	3.0396	2.9806	2.9289	2.9435	2.9720	3.6552	3.0522	3.2473	3.0952	2.9904	2.9898	2.8514	2.9031	3.1928	3.6978	3.3733	3.2484	2.8071	2.7578	2.9293	3.2085	3.1670	3.2165	3.3650	3.1642	3.2368	2.8364	2.9268	3.4223	3.0615	3.2268	3.0293	3.2574	2.7678	3.0570	2.9094	2.9914	2.9851	3.4341	3.4580	2.7515	2.9218	2.9207	2.9426	2.7282	2.7649	2.9446	3.1657	2.9373	3.0604
Threonine	Threonine	4.5287	4.5228	4.3220	4.5912	4.6113	4.5248	4.5333	4.4453	4.5397	4.2214	4.2857	4.2559	4.4103	4.4023	5.2186	4.5172	4.6933	4.2462	4.3461	4.3544	4.1500	4.3449	4.6485	5.0037	4.5227	4.3114	4.4417	4.3319	4.2556	4.4096	4.4959	3.9205	4.4221	4.4739	4.3328	4.2747	4.4564	4.4343	4.2530	4.7908	4.4486	4.3494	4.3118	4.2717	4.1554	4.4189	4.3121	4.8264	4.5017	4.5487	4.3363	4.5160	4.4484	4.2041	4.6280	4.4773	4.5872	4.3244	4.3418
Thymidine	Thymidine	4.1294	3.5008	3.8226	4.1028	3.6489	3.6372	4.0601	3.3746	3.7345	3.3030	3.3511	3.3578	3.4457	3.5039	4.0149	3.6511	4.1072	3.2203	3.7937	3.3400	3.1554	3.6628	4.1220	3.2599	3.3222	3.6737	3.1740	3.1827	3.4036	3.6264	3.2891	2.7548	3.4586	3.7811	4.0648	3.0798	3.2389	2.6661	4.0726	4.9735	2.9996	3.5928	3.0219	3.4613	3.2817	3.4286	3.5697	4.0700	4.2338	3.3385	3.1357	3.7895	3.3763	2.9045	3.2658	2.9871	3.6132	3.2136	3.5219
Thymidine monophosphate	dTMP	4.5660	4.6276	5.2111	5.0090	5.1492	4.8802	5.5275	4.2349	4.7096	4.8881	4.9243	4.9462	4.6490	5.1928	4.4916	4.7237	3.7849	5.1384	5.5957	5.2806	5.2691	5.4109	4.1727	4.2263	4.9553	5.4054	5.0148	4.8667	4.8595	5.1450	4.9013	6.1224	5.0529	4.6042	5.2682	4.9373	4.8520	4.9370	5.3951	5.3537	4.4432	5.1071	4.8178	5.2568	5.5147	5.1030	5.5054	5.0917	5.4505	4.8543	5.4923	4.6702	4.7620	5.1687	5.9696	4.9650	4.4041	4.5122	4.6234
Thymine	Thymine	3.2640	3.5681	3.8996	3.7517	3.3650	3.8093	4.0729	3.4409	3.5029	3.7609	3.4926	3.3545	3.5306	3.5359	3.1989	3.7468	3.7754	3.2812	3.8424	3.4014	3.3886	3.8328	4.0690	2.9369	3.4247	3.4009	3.3870	3.2373	3.4348	3.5235	3.3066	3.8349	3.1600	3.6899	3.5701	3.3207	3.1859	3.0730	3.4296	4.3690	3.5069	3.1705	2.8394	2.9400	3.0981	3.0107	3.7942	3.4077	3.4153	3.1817	3.0935	3.2523	3.6020	3.4530	3.4655	3.2724	3.4492	3.1613	3.4072
Thyrotropin releasing hormone	Thyrotropin releasing hormone	3.6672	3.1387	2.6690	2.9174	3.0724	2.9572	2.9438	2.9533	3.0252	2.5505	2.8943	2.9490	2.6016	2.7394	3.2786	2.7865	3.0079	2.6460	4.6091	3.1772	3.0536	3.2019	2.7467	4.4482	3.0717	5.0560	3.7423	2.5878	4.3280	3.1895	3.0076	3.4378	4.1357	5.4444	2.9800	2.4708	2.7452	3.7799	4.3124	3.9572	2.9577	4.0995	2.7211	3.9512	4.3344	4.9055	3.5541	2.7267	3.8449	3.8633	2.9881	4.4793	3.0567	4.0532	3.9538	4.6410	2.7921	2.8623	2.9738
Thyroxine	Thyroxine	2.6822	2.4245	2.2157	2.7199	2.3274	2.3613	2.3799	2.4481	2.6762	3.3702	2.6927	2.4830	2.3844	2.1624	2.7307	2.5824	3.2625	2.1952	3.6352	2.3537	2.4902	3.0851	2.7116	2.8034	2.6489	3.5391	3.2154	2.2583	2.4515	2.2343	2.5872	2.8030	3.8505	3.4856	2.7330	2.3608	2.4056	2.1785	3.5856	3.7040	2.0007	2.8509	2.7105	3.5771	2.9390	3.6740	3.2807	3.2191	2.9149	2.8049	2.5858	2.6287	2.4195	2.4518	2.9463	3.2800	2.7439	2.0640	2.8372
trans-2-Dodecenoylcarnitine	CAR 12:1(2E)	4.9379	4.5431	4.2837	4.4688	4.0806	3.9948	3.9940	4.3508	4.6060	5.1032	4.5340	4.5588	4.2514	4.2314	4.8805	4.1309	4.4338	5.0636	5.1424	4.5335	4.8858	4.5509	3.6303	4.0848	4.2880	4.4115	4.5100	4.3593	4.5906	5.8324	4.5790	5.1838	4.6398	4.3220	4.6265	4.4027	3.9013	5.1472	4.4066	5.4982	4.2467	4.5973	4.1621	5.3238	4.8969	4.7314	4.7883	4.9340	5.1689	4.0993	4.4266	4.7885	4.4280	4.8969	5.1419	4.4424	4.3404	5.0892	4.7383
trans-2-Tetradecenoylcarnitine	trans-2-Tetradecenoylcarnitine	5.2818	4.9035	4.5392	4.2054	4.0723	4.1518	4.2368	4.4451	5.0496	5.7629	4.7954	5.1394	4.2234	4.5418	5.6409	4.4844	4.4654	5.3509	5.5736	5.1340	6.1086	5.2073	3.6903	4.8562	4.0241	5.0322	5.2731	4.1043	5.1271	5.7505	4.7095	5.1756	5.5469	4.7767	4.8864	4.2649	4.1466	5.3465	5.6938	4.9513	4.3146	4.8122	4.9529	6.0904	5.7105	5.4159	5.5286	4.6955	5.5956	4.2777	4.7405	4.6977	4.5574	5.2914	5.4593	5.1757	4.4903	5.1307	4.9930
trans-Aconitate	trans-Aconitic acid	4.2043	4.7938	4.3522	4.0645	4.0253	4.1781	4.3996	4.2834	4.6603	4.1815	4.4336	4.3426	4.5782	4.5210	3.9889	4.5076	3.8636	4.6047	4.3876	4.4428	4.1718	3.8883	4.2418	3.8062	4.0584	4.0615	4.3653	4.8235	4.6694	4.3049	4.2119	4.6574	3.9585	4.1609	4.6321	4.9207	4.8641	4.4833	4.2612	4.5058	4.1956	4.2906	3.8334	4.0576	4.1687	3.7988	4.3665	4.3444	4.2333	4.4858	4.4460	4.3050	4.2365	4.3332	4.1762	4.1963	4.2439	4.3600	4.2406
trans-trans-Mucanoate		3.0850	3.2069	2.8915	3.3402	3.0990	3.0903	2.8733	3.0678	3.0410	3.8685	3.0484	2.9494	2.9351	2.6787	2.7658	2.8974	3.9924	2.9710	4.1399	2.8129	3.2752	2.8719	3.1262	2.7313	3.0644	3.1505	3.0259	2.9918	2.9055	2.8812	2.7316	3.0400	2.9147	3.2470	3.0178	2.8750	2.9530	2.7825	2.8430	3.7528	2.7338	2.8282	2.8600	2.9705	3.0119	2.9258	3.6470	3.7479	2.9830	3.2152	2.8290	3.4454	2.9199	2.7087	3.4721	2.6788	3.3247	3.0317	3.2500
Traumatate	Traumatic acid	4.2984	4.2905	3.9193	4.3656	3.9626	4.0544	4.0243	3.7973	4.0026	3.7346	4.0709	4.3195	4.1627	4.3024	5.1175	3.9634	4.6938	4.1537	3.9190	4.3660	4.5992	4.2891	4.0267	4.0881	4.0376	4.2729	4.1057	3.8607	3.9388	4.1133	3.7967	3.5964	4.4016	4.4454	3.8344	3.4046	3.7925	3.2327	4.0125	4.8739	3.8197	3.9712	3.5890	4.6930	4.1989	4.4320	3.8413	4.6091	4.2213	3.8340	3.9938	4.1814	3.9755	3.9958	3.5713	4.0083	3.8506	4.1265	4.0632
Trigonelline	Trigonelline	5.5754	5.1315	5.5357	5.9119	6.7546	6.3610	6.0684	6.3355	5.5310	5.3998	6.2915	5.6189	5.3171	5.4467	6.1537	6.5454	4.7313	5.8023	4.9359	5.4022	4.7743	5.8030	5.2743	5.7317	5.9660	4.6733	5.6056	4.2879	4.7366	4.7482	5.3856	5.7280	5.4131	5.2945	5.2538	5.5042	5.0420	5.2495	5.3142	5.7324	5.0207	4.9630	4.7691	4.8550	5.5142	4.5727	4.9916	5.2327	5.0466	4.9899	5.0632	5.5093	5.8517	4.7817	4.8813	5.0226	5.2159	5.0882	4.8838
Trimethylamine	Trimethylamine	3.9176	3.6393	3.5630	3.8099	3.6265	3.7966	3.7993	3.4794	3.8377	3.5427	3.6091	3.5853	3.4098	3.5247	3.3871	3.6581	4.0574	3.4910	3.3454	3.6463	3.3923	3.6993	3.8706	3.5544	3.6184	3.9513	3.3223	3.1520	3.4559	3.8411	3.2795	3.3517	3.8925	3.5422	3.5783	3.3377	3.3947	3.4403	3.8563	4.1916	3.4170	3.6253	3.2527	3.4032	3.3971	3.5474	3.3421	4.2982	3.7954	3.7075	3.3694	3.8588	3.7522	3.4222	3.2970	3.4049	3.9112	3.7037	3.7654
Tryptophan	Tryptophan	5.9411	6.5828	6.3804	6.5443	6.1211	6.2600	6.2931	6.6217	6.1609	5.9292	6.6641	6.6492	6.5089	6.3237	7.0368	6.3878	6.5277	6.8011	5.8987	6.5561	6.2340	6.2882	6.3515	6.6099	6.4061	5.9094	5.7546	6.3191	5.8570	6.0286	6.4239	5.8619	5.6831	6.0017	6.2664	6.2193	6.2416	5.2988	6.4578	7.0430	6.2898	6.1261	5.9221	5.3473	6.1041	5.8814	5.9002	6.6188	5.7027	6.0517	5.9450	6.1720	6.1223	5.8152	5.9168	5.2510	6.0006	6.0837	6.4364
Tyrosine	Tyrosine	5.8813	6.0545	6.0658	6.5704	6.0898	6.0770	5.9783	5.9917	5.9973	6.4056	5.9118	5.9207	5.8106	5.7023	6.7133	5.9300	6.5241	5.6692	6.6391	6.0313	6.8450	6.0377	6.2297	6.4435	5.8065	6.0027	5.8621	5.7716	5.8758	5.6110	6.0194	6.1785	5.9247	6.4885	6.1318	5.2027	5.9277	5.6058	5.6217	7.2700	5.4421	5.7623	5.7174	5.2242	5.6265	6.0295	6.8069	6.6193	6.1785	5.7514	5.6204	6.2446	5.8877	5.5322	6.4073	5.6809	6.1393	5.9346	6.1705
UDP-Glucose	UDP-glucose	3.7421	3.7729	3.9012	4.3896	3.4911	3.3759	3.3154	4.7882	3.5992	4.1777	4.9220	4.1080	4.6903	4.5166	3.1018	3.6845	4.4523	5.2120	4.4430	4.8643	4.2645	4.7801	3.4765	3.7474	3.5327	3.6470	4.9811	4.2908	4.9822	4.7141	4.9103	5.6280	4.5811	5.1197	4.2786	5.1271	5.3187	3.6002	5.8060	4.6497	5.3400	5.1457	4.4766	3.4960	4.5899	5.2967	4.6972	3.7755	4.1215	3.5949	4.7080	3.7220	3.6692	5.8230	4.1245	5.6995	4.0151	5.2389	3.7171
UDP-N-acetylglucosamine	UDP-N-acetylglucosamine	3.2562	4.2097	4.8948	4.6273	3.7063	3.5461	3.6738	5.4884	4.0982	3.9531	6.2035	5.3353	6.4718	5.9915	3.4773	3.6776	4.6260	6.7362	4.2744	6.7451	5.0073	6.7238	3.8863	3.1783	3.7089	4.0409	6.5243	3.5935	5.5189	6.1487	6.6469	7.1365	5.3333	6.0731	4.3563	6.3700	6.3433	3.5419	5.9880	4.2466	6.4821	5.8176	5.3001	3.3470	5.7913	5.7122	6.0488	4.0802	3.9942	4.1278	5.1934	4.1251	3.5581	7.4259	4.2747	6.5588	3.7034	5.6953	4.4845
Undecanedionate	Undecanedioic acid	4.2567	4.0609	3.8758	4.3833	3.8115	4.0065	4.2846	4.1343	3.9843	4.1839	3.8232	3.9953	4.0366	3.8660	4.2967	3.9300	5.0026	3.7549	4.6977	4.0244	4.0960	3.9426	4.2332	4.2682	4.0432	4.4630	3.7835	3.9755	4.0101	3.9732	3.8213	3.7790	4.1466	4.6826	4.0369	3.8921	4.0520	3.5805	3.9155	5.1789	3.9002	4.2186	3.4687	4.0619	3.9958	4.2235	4.4932	4.6592	4.2191	4.3113	3.8775	4.4424	3.9730	3.9639	4.3663	3.9374	4.3252	4.0661	4.2157
Uracil	Uracil	4.7055	4.6559	5.3515	4.2701	4.9551	5.1914	5.3047	5.0462	4.6669	4.5837	4.6631	4.8965	5.2258	5.0129	4.7085	5.1080	5.3662	4.8214	4.3720	4.8514	4.6971	4.8807	5.4562	4.8263	5.3961	3.9285	4.0401	5.1420	4.7027	4.8502	4.6532	3.8114	4.6171	4.5251	4.7469	5.1599	4.3762	4.5965	4.1710	4.5420	5.0908	5.1384	4.0781	4.3222	4.3251	4.1602	4.4210	4.5474	4.4623	4.5073	4.3850	4.3846	5.0738	4.6878	4.4273	4.8932	4.8021	4.4449	4.4421
Uracil 5-carboxylate	Uracil-5-carboxylic acid	3.6240	3.8674	3.4725	4.0161	3.7700	3.5807	3.6372	3.7916	3.7880	3.8873	3.7076	3.6489	3.6827	3.6526	3.4557	3.8090	4.2085	3.5929	4.1671	3.6611	3.6762	3.6560	3.8845	3.6860	3.6924	3.7552	3.6309	3.7162	3.8020	3.4372	3.4352	3.2323	3.8899	3.8289	3.5329	3.5103	3.7223	3.5807	3.7217	4.4556	3.2803	3.6692	3.7475	3.7214	3.6968	3.7466	3.8104	4.3874	3.7139	3.8704	3.8684	4.0569	3.8789	3.5332	3.5327	3.3918	3.9552	3.6830	3.8991
Urate	Uric acid	6.9048	7.0605	6.8263	7.4260	6.7139	6.9387	6.8342	6.9785	7.1524	7.7503	7.0290	7.0071	6.7336	6.7240	6.7674	7.0240	7.4757	6.9677	7.5345	6.9633	7.7557	6.9844	7.0151	6.9268	6.9007	7.1608	6.7453	6.7547	6.8119	6.3979	6.8507	7.2920	7.1260	7.3594	6.9624	6.6603	6.7522	6.4635	7.1424	7.9549	6.4771	6.8692	6.6961	6.4196	6.7994	7.0234	7.3988	7.5845	7.2093	6.9255	6.7979	7.1402	6.9488	6.6198	7.3431	6.9291	7.0286	7.0634	7.3686
Ureidopropionate	Ureidopropionic acid	3.6882	3.4946	3.5842	3.6922	3.3644	3.5534	3.4037	3.5609	3.4644	3.7146	3.2859	3.6868	3.5495	3.4083	4.5935	3.6568	3.7740	3.5082	3.5993	3.3105	3.5364	3.3997	3.5791	4.5380	3.6497	3.8508	3.3297	3.1511	3.5084	3.2952	3.5189	3.4954	3.6446	3.7586	3.4793	3.2733	3.7773	3.5597	3.7059	4.0030	3.8361	3.4969	3.4054	3.2894	3.4841	3.5425	3.3006	3.9814	3.8754	3.5087	3.4411	3.7457	3.4144	3.3340	3.5004	3.5826	3.7051	3.4017	3.7327
Uridine	Uridine	6.5615	5.2591	6.3292	6.1122	6.3703	6.1128	6.4760	6.1997	6.4224	5.7726	6.2097	5.9664	6.1680	6.0591	6.8278	5.8795	6.7983	5.6478	5.4227	5.5655	6.1552	6.2296	6.1371	6.3764	5.9809	6.4212	5.6704	5.6085	5.8548	6.2421	5.4157	6.0721	6.6118	6.5571	6.3571	5.6641	5.6923	5.7046	6.6849	6.1763	6.1377	6.1473	5.6736	6.1006	5.6718	5.7700	4.9812	6.1012	6.3876	5.9224	5.5082	6.1039	6.0910	5.6174	5.6076	5.5106	6.0383	5.8791	5.9885
Uridine diphosphate	UDP	4.1730	4.6686	4.4051	4.5184	3.9066	3.9742	4.6388	4.0061	4.4734	4.2722	4.5869	4.5319	4.2040	4.1597	3.6439	4.4173	4.8471	4.7447	4.5120	5.0278	4.5237	4.8450	3.9710	3.7075	3.8719	4.9653	4.5600	4.3782	4.5618	4.2212	4.4885	5.4317	4.1243	4.8061	4.7021	4.9454	4.9134	4.0051	5.2873	4.6911	4.0238	4.0636	3.7511	3.9854	4.2085	4.5518	4.5586	4.6518	4.3452	4.8971	4.4192	4.8927	4.2802	5.1140	4.1555	4.6764	4.4268	4.1141	4.8162
Uridine monophosphate	UMP	5.4789	5.0547	4.9199	5.5044	5.1227	5.0073	5.3742	5.3329	4.9917	4.2443	4.7380	5.4264	5.1830	4.9516	5.7483	4.9279	5.6016	4.8083	4.8052	5.1828	4.2530	5.0038	4.9960	5.6350	4.6516	5.2403	4.0592	3.8820	4.3459	4.1829	4.4175	3.5493	5.3571	5.1037	5.0893	3.7864	4.3433	4.5972	4.8839	5.3357	3.6878	4.2424	3.9077	4.0960	4.4328	4.9300	4.4215	4.7233	5.6457	4.5138	4.4160	4.5580	4.9258	4.0548	4.0430	3.9016	4.0788	4.0607	4.0681
Urocanate	Urocanic acid	4.5471	4.1878	4.0163	4.7375	4.2700	4.6938	4.4472	4.4158	4.9642	4.2950	4.4085	4.3056	4.1890	3.9463	3.9009	4.5054	4.7065	4.1971	4.2522	4.0813	3.9880	4.3693	4.4977	4.0466	4.2345	4.0912	3.8441	3.8622	3.9808	3.7981	3.6442	3.3203	4.3977	4.3119	4.3619	3.5700	4.0869	3.9411	4.1306	5.2499	3.8301	4.3132	4.4104	4.1186	4.1922	4.4106	3.9428	5.0334	4.0916	4.2806	4.0716	4.7407	4.5150	3.7391	3.8269	4.2282	4.4853	4.1790	4.4275
Ursocholate	Ursocholic acid	2.3988	2.4915	2.5024	2.9002	2.5895	2.7549	2.5530	3.3861	2.4936	2.8098	2.5079	2.3922	2.4056	3.4550	2.4717	2.5885	3.3572	3.1610	3.2689	2.8160	2.8245	2.9295	2.5057	2.7324	2.9484	2.1961	2.3990	1.9810	2.1649	2.0246	1.7937	1.9832	2.9422	2.5818	2.8089	1.9903	2.4100	2.6106	2.5342	3.3088	1.5901	2.4693	2.3262	2.4320	2.5113	3.2660	3.1284	3.4622	2.5991	2.7643	2.4884	2.8416	2.1398	2.5109	2.2702	2.6788	2.7683	2.7017	2.4986
Ursodeoxycholate	Ursodeoxycholic acid	1.7923	2.2630	1.2686	2.5343	2.0847	2.0339	1.5489	3.0509	2.4362	2.5398	2.1875	1.9763	1.7310	2.2783	1.7562	2.1976	3.7471	1.8612	2.9298	2.1972	2.3815	2.1047	2.3969	2.0377	2.3063	2.6693	2.2737	2.0132	2.1837	1.5205	1.5791	1.9943	3.2327	2.3301	1.9686	3.1554	2.1316	2.2460	2.8990	3.0871	1.7603	2.8611	2.9435	2.2797	2.7559	3.5411	2.7206	2.8606	2.2858	3.2452	2.5717	3.3941	2.0056	2.0058	2.0346	3.1439	3.4221	2.2322	2.9375
Valine	Valine	4.6372	4.5881	4.5299	5.1672	4.7175	4.5715	4.6896	4.4911	5.0442	4.0400	4.3362	4.6612	4.5543	4.4947	5.7356	4.6653	6.1170	4.2202	4.1872	4.5710	4.5909	4.5717	4.9055	5.1150	4.6769	4.9324	4.7143	4.5383	4.5119	4.2917	4.4360	4.0249	4.9202	5.1645	4.5971	4.4528	4.5506	4.4752	4.6578	5.6910	4.2520	4.6844	4.6044	4.2954	4.5139	4.8875	4.2466	5.4495	4.6805	4.6566	4.3949	5.0140	4.6063	4.3219	4.3005	4.7066	4.8128	4.6157	5.1139
Xanthine	Xanthine	6.3723	6.7410	7.0689	6.5183	6.7562	6.9304	7.0790	6.8537	6.3793	6.1891	6.6024	6.7957	6.9495	6.8220	6.5328	6.9655	7.0256	6.4920	6.4856	6.8763	6.8199	6.9436	7.0186	6.5875	6.9518	5.9654	5.2638	6.7045	6.4834	6.3092	6.5956	5.3464	6.4825	6.4327	6.4314	6.6093	6.1941	6.5135	6.0563	6.8687	6.4847	6.6174	6.2460	6.2835	6.3705	5.7439	6.5183	6.4986	6.6853	6.3393	6.1738	6.5418	6.7610	6.3433	6.5494	6.4159	6.7564	6.3686	6.4280
Xanthosine	Xanthosine	5.6451	4.2467	6.2807	4.5824	5.7259	5.9271	6.3357	6.0868	4.8649	4.2377	5.7160	6.0075	6.3395	5.9467	5.8730	6.1358	5.4703	5.7700	4.2014	6.1842	4.5684	6.3610	5.9313	5.7647	5.9418	4.4556	4.3982	5.0369	5.5401	6.2140	5.5599	4.2844	5.3272	5.3768	4.9530	6.2558	4.8784	5.0755	4.7061	4.7793	6.0174	5.6953	4.8399	4.5337	5.6729	4.9305	4.5491	4.4351	5.1824	4.9892	5.0166	4.6252	5.8629	5.8648	5.2235	5.5009	4.9332	5.4674	5.2162