Metabolite_name	RefMet_name	OUHSCPD-1	OUHSCPD-10	OUHSCPD-11	OUHSCPD-12	OUHSCPD-2	OUHSCPD-3	OUHSCPD-4	OUHSCPD-5	OUHSCPD-6	OUHSCPD-7	OUHSCPD-8	OUHSCPD-9	OUHSCPD-13	OUHSCPD-14	OUHSCPD-15	OUHSCPD-16	OUHSCPD-17	OUHSCPD-18	OUHSCPD-19	OUHSCPD-20	OUHSCPD-21	OUHSCPD-22	OUHSCPD-23	OUHSCPD-24	OUHSCPD-25	OUHSCPD-26	OUHSCPD-27	OUHSCPD-28	OUHSCPD-29	OUHSCPD-30	OUHSCPD-31	OUHSCPD-32	OUHSCPD-33	OUHSCPD-34	OUHSCPD-35	OUHSCPD-36	OUHSCPD-37	OUHSCPD-38	OUHSCPD-39	OUHSCPD-40	OUHSCPD-41	OUHSCPD-42	OUHSCPD-43	OUHSCPD-44	OUHSCPD-45	OUHSCPD-46	OUHSCPD-47	OUHSCPD-48
Factors	-	Genotype:FTE (Normal)	Genotype:FTE (Normal)	Genotype:FTE (Normal)	Genotype:FTE (Normal)	Genotype:FTE (Normal)	Genotype:FTE (Normal)	Genotype:FTE (Normal)	Genotype:FTE (Normal)	Genotype:FTE (Normal)	Genotype:FTE (Normal)	Genotype:FTE (Normal)	Genotype:FTE (Normal)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SCC-PDOCC (Cancer)	Genotype:SNU-PDOCC (Cancer)	Genotype:SNU-PDOCC (Cancer)	Genotype:SNU-PDOCC (Cancer)	Genotype:SNU-PDOCC (Cancer)	Genotype:SNU-PDOCC (Cancer)	Genotype:SNU-PDOCC (Cancer)	Genotype:SNU-PDOCC (Cancer)	Genotype:SNU-PDOCC (Cancer)	Genotype:SNU-PDOCC (Cancer)	Genotype:SNU-PDOCC (Cancer)	Genotype:SNU-PDOCC (Cancer)	Genotype:SNU-PDOCC (Cancer)
10-heptadecenoate (17:1n7)	10Z-Heptadecenoic acid	0.9650	0.6233	0.4142	0.4064	2.0940	1.3067	2.9726	2.3141	0.4852	0.6275	0.5592	0.3230	1.2755	1.3092	1.5665	6.0196	1.1198	2.6812	1.2573	2.0064	0.9890	1.0257	0.9643	8.6348	1.6080	2.7020	1.0110	1.6979	0.4617	10.1236	1.7790	13.9745	0.4515	1.2908	0.9735	0.9048	0.7614	0.5502	0.4250	0.6286	0.9477	1.5421	1.0918	0.6345	0.8134	0.8954	0.4716	0.7207
10-nonadecenoate (19:1n9)	Nonadeca-10Z-enoic acid	0.5541	0.5516	0.3259	0.3206	1.1107	0.6866	1.7974	1.5896	0.3733	0.4509	0.4273	0.2751	1.0189	1.0956	2.1582	8.6676	1.3966	3.8717	2.6704	3.8641	1.0859	1.1408	0.8274	5.1374	1.4567	2.3099	2.0591	3.1744	0.4469	11.6165	2.0610	13.9720	0.6743	1.8189	1.0767	0.9811	0.6540	0.4682	0.3827	0.5587	0.7852	1.2445	0.9227	0.5516	0.6710	0.7009	0.3857	0.7111
1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)*	PE P-18:1/18:1	0.6872	0.7666	0.5768	0.4918	0.7633	0.5336	0.6522	0.7814	0.5365	0.4979	0.7308	0.8082	0.7354	0.6636	1.5251	1.0764	1.2924	1.0070	1.0755	1.2371	0.8773	0.9930	1.5185	1.9883	0.9027	1.2620	0.8347	0.8748	0.7733	2.0429	1.6688	1.7983	0.6530	0.7087	0.5395	0.4890	2.0228	2.0177	1.8425	1.5856	2.8323	2.6613	2.1631	2.0740	3.7077	4.0899	3.8198	3.9453
1-(1-enyl-oleoyl)-GPE (P-18:1)*	LPE P-18:1 or LPE O-18:2	0.8713	0.6350	0.6346	0.8544	0.8340	0.6587	0.7096	0.9141	0.6075	0.7842	0.7709	0.3662	1.4670	1.2402	2.5654	1.0458	1.1792	1.3779	4.5096	4.5438	1.0150	1.0992	1.4308	3.2122	1.1422	1.2652	1.0552	1.6118	0.5364	1.4816	1.1247	1.7034	0.9850	1.0798	0.8816	0.8185	0.3625	0.2636	0.3233	0.3166	0.4938	0.4710	0.2255	0.2574	1.1318	1.1015	1.1136	1.3282
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	PC P-16:0/20:4 or PC O-16:1/20:4	2.3272	0.9458	0.7184	0.7337	2.4776	1.8097	2.5215	0.6441	0.7368	0.6992	0.6813	0.7557	1.5453	1.3916	0.6081	0.8280	1.2822	1.3783	1.6184	1.4170	0.2798	0.2955	0.5921	0.6521	1.1823	1.1640	2.2851	1.7833	0.5835	1.0212	0.9788	1.0999	0.8290	0.7601	0.8249	0.8260	3.0999	2.8932	2.6159	2.6159	2.0041	1.9273	2.2990	2.2706	0.0719	0.0856	0.0825	0.0677
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	PE P-16:0/20:4 or PE O-16:1/20:4	1.0975	0.8730	0.6831	0.6889	1.1276	0.8895	1.0047	1.2728	1.2785	1.2264	1.1928	0.7109	1.3468	1.2501	1.3576	0.6904	1.0209	1.0533	0.8237	0.8296	0.8047	0.8090	0.8625	0.7332	0.9885	0.9926	0.9574	0.9953	0.5271	0.8657	0.7016	0.8949	0.9398	0.9421	0.8795	0.8504	1.3130	1.2706	1.3845	1.3600	1.6892	1.6941	1.4068	1.3785	1.1579	1.1929	1.1805	1.2246
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	PC P-16:0/18:2 or PC O-16:1/18:2	1.9965	0.7319	0.8845	0.9550	2.1140	1.5699	1.9420	1.1008	1.0793	0.9885	1.1439	0.1689	1.8768	1.8588	0.4070	0.1143	0.5397	0.1143	0.1609	0.1740	0.6155	0.4017	0.9920	1.1748	0.1463	0.4206	0.1583	0.1260	0.6933	0.3401	0.1143	0.4640	0.7081	1.0080	0.7970	0.6827	8.7448	7.7995	8.8117	8.2277	13.3685	13.1971	13.4627	12.7873	2.0085	2.1903	2.1683	1.8457
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	PE P-16:0/18:2 or PE O-16:1/18:2	0.9958	0.8701	0.6439	0.6598	0.9197	0.7815	0.6970	1.1553	1.1550	1.0042	1.0214	0.7544	1.5320	1.4647	1.5191	0.5616	0.8397	0.5692	0.4108	0.4700	1.3752	1.4049	1.6219	1.6717	0.8758	0.9879	0.3917	0.3935	1.0167	0.8103	0.7422	0.8551	0.9460	0.9291	0.8582	0.8462	1.6282	1.7125	1.7306	1.8016	2.1182	2.2881	2.6946	2.3357	6.7350	6.6835	6.7129	5.8204
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	PC P-16:0/18:1 or PC O-16:1/18:1	1.5429	0.7558	0.7725	0.7779	1.6659	1.2918	1.6335	0.9804	1.0104	1.0259	1.0059	0.5637	1.2199	1.1526	0.7465	0.3429	0.7424	0.5943	0.5325	0.5606	0.7431	0.7344	1.1134	1.4004	0.7705	0.7499	0.4609	0.4004	0.7001	0.6826	0.5330	0.7508	0.9941	1.0469	0.9783	0.9122	3.8447	3.5547	4.0225	3.7732	5.2241	5.2243	5.4826	5.2491	1.4805	1.5862	1.5013	1.5445
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	PE P-16:0/18:1 or PE O-16:1/18:1	1.0414	0.7314	0.5389	0.5493	1.0184	0.8863	0.8872	0.9734	0.9595	0.8763	0.8793	0.5788	1.2089	1.0870	1.4518	0.7244	1.0213	0.7786	0.7175	0.7645	1.1991	1.2824	1.7087	1.7069	0.9788	0.9727	0.6674	0.7000	0.8180	1.1100	0.9816	1.2308	0.9372	0.9262	0.9357	0.8564	2.5371	2.2484	2.5112	2.6262	3.1999	3.2711	3.0497	2.9216	4.5356	4.5995	4.5374	4.0075
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	PC P-16:0/16:1 or PC O-16:1/16:1	1.3125	0.9974	0.8976	0.9689	1.3425	1.0348	1.3124	1.2488	1.2920	1.2370	1.1785	0.8015	1.5132	1.4700	0.7666	0.2368	0.5528	0.4247	0.4683	0.4561	0.4265	0.4340	1.0026	1.0903	0.5576	0.5672	0.2879	0.2375	0.6817	0.5587	0.4603	0.7343	0.7371	0.7993	0.7714	0.7311	5.3642	5.0702	5.7325	5.0737	7.9384	7.8184	7.1735	6.7828	2.7969	3.0296	2.8361	2.6263
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	PC P-16:0/16:0 or PC O-16:1/16:0	1.1020	0.8874	0.9356	0.9867	1.1933	1.0133	1.3519	1.0619	1.0715	1.1427	1.1078	0.6777	1.5533	1.4819	1.0654	0.3131	0.7778	0.6041	0.6123	0.6271	0.4646	0.4689	0.8708	1.0811	0.7480	0.7160	0.5319	0.4174	0.6903	0.6078	0.4733	0.7784	0.7798	0.8083	0.8015	0.7494	2.8672	2.5720	3.3867	3.2451	3.1304	3.2028	3.3666	3.1815	1.2755	1.3919	1.3313	1.1583
1-(1-enyl-palmitoyl)-GPC (P-16:0)*	LPC P-16:0 or LPC O-16:1	1.0869	0.7602	0.7114	0.8360	1.1794	0.6570	1.0329	1.3572	1.0822	1.2521	1.1167	0.4309	1.6554	1.4101	1.4721	0.3923	0.7555	0.8736	1.6875	1.6267	0.6210	0.7287	0.9621	2.0331	0.8042	0.8869	0.6843	0.7180	0.6053	0.7099	0.4827	0.8655	0.7677	0.8826	0.8083	0.7531	2.1735	1.7426	2.4692	2.2571	4.8633	4.8260	3.1122	3.1737	1.1651	1.1123	0.9671	1.3921
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	LPE P-16:0 or LPE O-16:1	0.7164	0.6280	0.5640	0.6721	0.7016	0.5362	0.6464	1.3424	0.9578	1.1989	1.1202	0.3689	1.4715	1.2891	2.4843	0.5301	0.7424	0.8635	1.7502	1.6921	1.0649	1.1646	1.1224	1.9076	0.8042	0.8640	0.7577	0.9712	0.4699	0.7801	0.5664	1.0044	1.1120	1.1586	1.0752	0.9804	0.8886	0.7014	1.0983	0.9956	1.8746	1.5451	0.9672	1.0904	3.1323	3.1802	3.1420	3.8003
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	PE P-18:0/20:4 or PE O-18:1/20:4	1.6161	1.0456	0.8970	0.9529	1.6703	1.2469	1.4815	0.9880	0.9162	0.9177	0.8868	0.8384	1.5398	1.4822	1.0964	0.7535	1.2998	1.3457	1.1069	1.1180	0.9558	0.9751	1.1654	1.0984	1.2747	1.3039	1.2587	1.2032	0.5687	1.3204	1.0535	1.3366	1.0268	1.0120	1.0193	0.9494	0.3603	0.3352	0.3958	0.3866	0.4339	0.4397	0.3872	0.3888	0.2866	0.2899	0.2888	0.3462
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*	PE P-18:0/18:2 or PE O-18:1/18:2	1.5531	0.7510	0.5785	0.7257	1.4489	1.2960	1.1763	0.7282	0.9669	0.8878	0.6547	0.4504	1.5037	1.3026	1.1770	0.7745	1.1151	0.7489	0.7320	0.7050	1.5432	1.6701	2.4311	2.6045	1.3350	1.0012	0.4311	0.5583	0.9155	1.2215	1.0229	1.3073	1.1555	1.1426	0.9368	0.9158	0.8290	0.5786	0.7751	0.9988	0.6944	0.9397	1.0047	0.9926	2.5324	2.2604	2.4090	2.3623
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	PE P-18:0/18:1 or PE O-18:1/18:1	1.0069	0.6097	0.4263	0.4694	1.0601	0.8136	0.8717	0.5741	0.5403	0.4980	0.4850	0.4836	0.9907	0.9175	1.1748	0.5875	0.9931	0.7468	0.6645	0.6795	1.6496	1.6875	1.8453	1.8209	0.9811	0.9885	0.4727	0.4963	0.7144	1.4147	1.0432	1.3650	1.1244	1.0934	0.9235	0.8524	1.2847	1.1120	1.3724	1.3154	1.4427	1.3970	1.4199	1.3819	3.1293	3.2534	3.0487	2.9223
1-(1-enyl-stearoyl)-GPE (P-18:0)*	LPE P-18:0 or LPE O-18:1	1.1459	0.7223	0.7552	0.8981	1.1383	0.8226	0.9734	0.8901	0.4604	0.5675	0.8019	0.4283	2.0537	1.8324	2.1168	0.3952	0.9193	1.0501	1.5789	1.5454	1.2806	1.3350	1.6007	2.3236	1.0266	1.0671	0.9616	0.9353	0.3999	1.0321	0.7650	1.2717	1.2472	1.2990	1.2057	1.1264	0.1842	0.1419	0.2657	0.2420	0.3319	0.2779	0.1859	0.2076	1.2029	1.2458	1.1513	1.6115
1_2-dilinoleoyl-GPC (18:2/18:2)	PC 18:2/18:2	0.8400	0.6945	0.9833	1.2398	1.0106	0.6062	1.0041	0.9695	1.0887	1.1824	1.2668	0.5056	1.7960	1.7694	1.2913	0.8530	1.3872	1.1055	1.0309	1.1363	1.1318	1.0660	1.1474	1.7575	1.1347	1.1588	0.9959	0.8133	1.1778	1.3997	0.8687	1.1813	0.6576	0.5859	0.8041	0.7298	0.6114	0.6197	0.4626	0.5009	1.1604	1.1343	0.8575	0.8232	0.8401	0.8847	0.8401	0.5797
1_2-dilinoleoyl-GPE (18:2/18:2)*	PE 18:2/18:2	1.0705	0.6004	0.9729	1.0446	1.4589	1.2715	1.0271	1.2680	1.2121	1.7148	1.3446	0.5986	1.6634	1.8424	0.8011	0.4894	0.6562	0.6767	0.5901	0.5373	1.7649	1.9281	1.3745	2.7785	0.6514	0.6596	0.6150	0.3026	0.6324	0.5199	0.4082	0.6962	0.6364	0.7400	0.8017	0.7750	0.3026	0.3026	0.3026	0.5687	2.2750	2.4505	0.3026	1.8939	5.5517	5.1154	5.4560	4.0567
1_2-dioleoyl-GPC (18:1/18:1)	PC 18:1/18:1	1.0057	0.9085	0.8423	0.8892	1.0359	0.7831	0.9413	0.9676	0.9379	0.9726	1.0078	0.8497	0.9283	0.8021	1.3843	1.0527	1.4168	1.2250	0.9364	0.8619	1.6867	1.7196	1.2212	1.5981	1.2984	1.3532	0.6280	1.0242	0.9329	1.2238	1.2254	1.2178	1.1415	1.1130	0.9687	0.9117	0.8495	0.8368	0.8684	0.8694	1.1928	1.2200	0.8843	0.9068	1.2403	1.2004	1.2218	0.9943
1_2-dioleoyl-GPE (18:1/18:1)	PE 18:1/18:1	1.0476	0.8280	0.7938	0.8383	1.0761	1.0352	0.9787	1.0595	1.0390	1.0158	0.9902	0.6708	1.0075	0.9457	1.4413	0.7977	0.9911	0.9349	0.5841	0.6106	1.5521	1.5967	1.2274	1.5526	0.9267	0.9344	0.4472	0.7310	0.7441	0.8897	0.7489	0.8401	0.9875	0.9925	0.7994	0.7472	1.3476	1.2594	1.1645	1.1721	1.4137	1.4073	1.0968	1.0866	2.5103	2.5824	2.5873	2.1150
1_2-dioleoyl-GPI (18:1/18:1)	PI 18:1/18:1	0.5206	0.5786	0.4202	0.4887	0.5661	0.5956	0.9959	0.7247	0.6297	0.6299	0.6210	0.4109	0.4498	0.4463	2.0674	0.9455	0.8306	1.1343	0.9478	0.9622	1.5606	1.7315	1.6778	2.0643	0.8622	0.8632	0.8915	1.3380	0.3640	1.1246	0.7701	1.1085	1.2155	1.2381	1.0831	0.9338	1.1430	1.0041	1.2474	1.1354	2.2308	2.3465	1.5364	1.4337	1.7522	1.7587	1.5973	1.5246
1_2-dipalmitoleoyl-GPE (16:1/16:1)*	PE 16:1/16:1	0.2729	0.7528	0.7616	0.7467	0.2345	0.3710	0.3044	2.1444	2.1555	2.1362	2.1364	0.6029	1.2035	1.0671	1.7321	0.4182	0.7361	0.5240	0.4330	0.3965	1.3267	1.4776	1.6322	1.4816	0.8400	0.8416	0.2133	0.2470	0.6195	0.6659	0.5278	0.7340	0.9218	1.0215	0.9785	0.9375	6.5612	6.3703	5.6770	4.7531	9.8022	10.2054	5.7045	5.8926	21.7909	22.4800	21.2977	13.2788
1_2-dipalmitoyl-GPC (16:0/16:0)	PC 16:0/16:0	0.7101	1.0540	1.1090	1.1979	0.7274	0.8197	0.9430	0.9999	1.0086	1.0521	1.0255	0.9186	1.1406	1.0568	0.9705	0.8452	1.0291	1.0001	1.2512	1.2514	0.6515	0.6923	0.7607	0.9732	0.8337	0.8408	1.3472	1.1153	0.6376	1.0225	0.9387	1.1686	0.4737	0.4687	0.5424	0.5388	1.6588	1.5826	1.4124	1.3904	0.8140	0.8459	0.9524	0.9164	1.0699	1.0874	1.0783	1.0384
1_2-dipalmitoyl-GPE (16:0/16:0)*	PE 16:0/16:0	0.5528	0.8099	0.7836	0.8177	0.6188	0.7242	0.8131	0.8355	0.8092	0.7959	0.7952	0.5955	1.0008	0.9814	1.2201	1.0452	1.1911	1.3323	1.7169	1.8493	0.6880	0.6981	0.8753	1.2154	0.9992	0.9707	1.8540	2.2359	0.4854	1.1077	0.8932	1.1018	0.7229	0.7062	0.8274	0.7718	2.2967	2.2707	2.6454	2.3563	1.6502	1.6485	1.8832	1.8328	1.2386	1.2695	1.1893	1.0871
1_2-dipalmitoyl-GPG (16:0/16:0)	PG 16:0/16:0	0.1402	0.1402	0.1402	0.1402	0.4834	1.2114	1.5978	0.2734	1	0.9068	0.7685	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.5292	0.4948	0.9011	0.1402	1.1072	0.8253	0.7922	0.5127	1.6446	1.5171	1.6332	1.7850	1.9804	2.0653	1.1097	1.7141
1_2-dipalmitoyl-GPI (16:0/16:0)*	PI 16:0/16:0	0.1886	0.3050	0.8673	1.4608	0.1886	0.1886	0.1886	2.6836	2.3326	2.7809	2.4545	0.3205	0.1886	0.1886	0.1886	0.1886	0.1886	0.1886	0.1886	0.1886	0.1886	0.2087	0.1886	0.1886	0.1886	0.1886	0.1886	0.1886	0.1886	0.1886	0.1886	0.1886	0.2454	0.3010	0.5706	0.5153	0.1886	0.1886	0.4321	0.3626	1.7444	1.3510	2.0279	2.2385	1.0204	1.0143	0.9857	2.3347
1_2-distearoyl-GPG (18:0/18:0)	PG 18:0/18:0	2.0253	1.6445	1.4313	1.7005	2.4324	1.7583	2.3713	0.9800	1.0296	0.8405	0.9706	1.3633	1.7657	1.4202	0.8419	0.5569	1.1765	0.8260	1.1383	1.1533	0.7680	0.9488	1.3973	1.5335	1.0178	1.1449	1.1574	0.7517	1.3133	1.2478	1.1261	1.7554	0.9822	0.8254	0.9452	1.2454	0.6557	0.5104	0.6695	0.8004	0.4858	0.8009	0.8535	0.6912	0.5857	0.5021	0.6146	0.3097
12-HHTrE	12S-HHTrE	0.6769	1.8432	0.5993	0.9271	0.7197	0.3544	1.1395	0.8528	0.4370	0.4301	0.4009	1.3816	3.0511	1.9723	2.5714	0.9553	3.8588	3.6591	0.5093	0.9127	9.2686	10.9188	5.6399	6.0153	1.6411	1.5629	0.6581	0.6102	1.1754	1.0602	1	1.2484	4.3511	4.4386	2.8337	2.5487	0.9215	0.9003	1.1309	1.0946	0.8163	0.7163	0.4902	0.3510	0.0932	0.0932	0.1133	0.2425
13-HODE + 9-HODE	HODE	1.0819	0.9407	0.6681	0.7879	1.2957	0.8940	1.5536	0.7685	0.8858	0.7679	0.7910	0.6019	2.3312	1.9902	1.6529	0.7502	1.7407	1.2535	0.4501	0.6451	5.5520	6.2972	4.6481	3.1407	1.5968	1.5347	0.4501	0.4501	1.3580	0.9351	0.5458	1.0831	1.9834	1.7604	1.5234	1.4118	1.0407	0.9593	0.8936	0.8156	1.3088	1.5427	0.9298	0.9483	0.6381	0.7326	0.6501	0.8527
(14 or 15)-methylpalmitate (a17:0 or i17:0)	Methylpalmitic acid	0.7662	0.8468	0.7185	0.6130	1.6831	1.0684	2.4229	3.0331	0.7117	0.8815	0.7799	0.5075	1.2431	1.4142	1.2890	3.9167	0.9339	2.0317	1.2486	1.6756	0.8806	0.9339	0.8767	6.3387	1.2352	1.8666	1.3163	0.9566	0.6159	6.5750	1.4213	9.5593	0.3911	1.1938	0.9040	0.8504	0.8748	0.6602	0.5344	0.7894	0.8891	1.3755	1.1448	0.6201	1.0434	1.0855	0.5668	1.0683
15-HETE	15-HETE	1.2442	1.0562	0.4446	0.6161	1.6043	0.8108	2.0277	0.7028	0.4610	0.4212	0.4261	0.6014	1.5292	1.4285	1.4431	1.3452	3.3751	2.2094	0.6125	0.9438	9.6323	10.7060	6.5523	7.5477	1.5087	1.6253	0.8434	0.7401	2.2422	1.8831	1.3762	2.4008	4.1716	4.3957	3.2410	3.1729	0.6668	0.7721	0.5918	0.6006	0.4889	0.5118	0.4693	0.3303	0.0805	0.1840	0.0837	0.3017
(16 or 17)-methylstearate (a19:0 or i19:0)	Methyloctadecanoic acid	1.0223	0.7764	0.6720	0.5947	1.8647	1.0892	3.0401	1.8541	0.5543	0.7014	0.6201	0.4559	1.3911	1.4954	1.6296	4.4684	0.8455	2.0388	1.4372	2.0937	0.8472	0.8993	0.7051	4.3023	0.8744	1.3866	1.4508	1.5934	0.5285	6.3818	1.3996	8.0576	0.5295	1.3241	1.0394	1.0249	0.7635	0.6711	0.5439	0.7688	0.8489	1.2286	1.0314	0.7042	0.9052	0.9777	0.5508	0.9005
1-arachidonoyl-GPE (20:4n6)*	LPE 20:4/0:0	1.3360	1.1583	0.9563	0.9949	2.3863	1.7261	2.3244	4.5791	1.4707	1.2477	1.5201	0.6404	1.2465	1.2401	1.0051	2.9634	0.6998	1.8656	1.1042	2.1779	0.7042	0.9262	0.6132	3.2386	1.0675	1.8292	0.9012	1.3097	0.4016	3.4824	0.9040	5.2821	0.4104	1.1913	0.7039	0.9672	0.5294	0.5380	0.4066	0.6447	0.6246	0.8468	0.6167	0.5988	0.7028	0.9759	0.3918	1.0085
1-arachidonoyl-GPI* (20:4)*	LPI 20:4/0:0	2.6252	0.5506	0.5794	0.4596	5.5340	2.7053	5.8309	2.1253	0.5346	0.7303	0.7892	0.2898	0.5818	0.4245	1.1532	2.2963	1.1164	2.7561	1.8986	3.2010	0.6727	0.7634	0.5992	2.4122	1.1777	1.7085	1.6708	2.3289	0.6140	4.7288	1.0153	6.0197	0.5055	1.1169	0.7964	0.8020	0.8374	0.6989	0.6727	0.9383	0.9847	1.4668	0.8662	0.6962	1.6260	1.8309	0.8641	1.4981
1-arachidonylglycerol (20:4)	MG 20:4	0.6239	0.0773	0.1175	0.0773	1.8673	1.2266	3.2653	0.4967	0.0773	0.0773	0.0773	0.0773	0.9929	1.2602	1.7719	7.6824	1.9319	6.0076	8.4012	8.1320	0.1495	0.0773	0.3454	0.4181	2.7418	4.8323	11.1294	6.5662	0.9962	4.6665	1	6.6224	0.6839	2.1344	1.1403	1.3231	0.3396	0.0773	0.0773	0.5028	0.1534	0.5366	0.8747	0.5457	0.1359	0.2892	0.0773	0.2632
1-carboxyethylisoleucine	1-Carboxyethylisoleucine	0.9997	0.2979	0.4358	0.5604	0.9091	0.3358	0.3748	0.5904	0.8179	1	0.7879	0.2979	3.6763	2.0450	0.5155	0.2979	0.5711	0.3770	0.2979	0.2979	0.6495	0.8242	0.2979	0.2979	0.3006	0.2979	0.2979	0.2979	0.2979	0.3392	0.2979	0.7268	1.4163	1.6566	1.2805	1.0167	1.5609	1.4357	2.4165	2.4150	3.2462	3.9433	2.6829	3.1423	1.3024	1.7010	2.4966	2.5825
1-carboxyethylleucine	1-Carboxyethylleucine	1.0434	0.3227	0.7007	0.4976	0.9748	0.4881	0.4365	0.6266	0.9413	0.5677	0.4243	0.3227	0.3227	1.0389	0.5474	0.3227	0.9617	0.5379	0.3227	0.3227	1.2005	1.2926	0.3227	0.3227	0.3227	0.3662	0.3227	0.3227	0.3227	0.4996	0.3227	0.7983	2.0928	1.8899	1.7104	1.5555	1.0324	1.0439	2.3162	2.0990	0.3227	0.3227	3.6339	3.2429	1.0388	1	0.3227	1.9358
1-carboxyethylphenylalanine	1-Carboxyethylphenylalanine	0.8016	0.2181	0.6629	0.4741	0.6142	0.3394	0.3521	0.5122	0.8829	0.7454	0.5459	0.2181	2.1619	2.0499	0.6608	0.2181	0.9193	0.5460	0.2181	0.2181	1.1757	1.4600	0.2181	0.3439	0.3136	0.3630	0.2181	0.2181	0.2181	0.3439	0.2758	0.7354	1.9845	2.0066	1.6431	1.4619	1.0807	1.0884	2.0430	1.8905	1.2954	1.6022	2.5361	2.3899	1.3059	1.4848	1.3527	2.2164
1-carboxyethyltyrosine	1-Carboxyethyltyrosine	0.7824	0.3308	0.4072	0.3308	0.6028	0.3308	0.3308	0.3454	0.6135	0.4778	0.3308	0.3308	2.4220	2.4050	0.3308	0.3308	0.5017	0.3308	0.3308	0.3308	0.6164	0.6666	0.3308	0.3308	0.3308	0.3308	0.3308	0.3308	0.3308	0.3308	0.3308	0.4718	1.0063	1.0328	0.9655	0.7677	0.9682	1.0452	1.5641	1.5590	1.5464	1.7952	2.3596	2.3979	1	1.1661	1.1362	1.9839
1-carboxyethylvaline	1-Carboxyethylvaline	0.7545	0.1867	0.4687	0.1867	0.2850	0.1867	0.1867	0.3514	0.6624	0.7394	0.4602	0.1867	1.7885	1.7236	0.3252	0.1867	0.5936	0.2209	0.1867	0.1867	0.8053	0.8391	0.1867	0.1867	0.1867	0.1867	0.1867	0.1867	0.1867	0.1867	0.2197	0.4307	1.1352	1.1653	1	0.7832	1.7292	1.3492	2.3410	2.3164	2.6150	2.4531	3.7571	3.5097	1.3612	1.4890	1.2615	2.3603
1-dihomo-linolenylglycerol (20:3)	MG 20:3/0:0/0:0	0.1006	0.1006	0.1006	0.1006	0.5348	0.3656	0.4554	0.1832	0.1006	0.1006	0.1006	0.1006	0.6399	1.0356	2.2537	7.3317	1.7271	6.8524	8.0979	9.6068	0.1034	0.1720	0.3526	1.2937	3.5658	4.6774	8.5594	5.3337	0.6143	6.7296	0.9644	8.0073	1.0850	3.2571	1.5213	2.3873	0.1006	0.1006	0.1006	0.1006	0.2157	0.5661	0.8053	0.3191	0.1455	0.2672	0.1006	0.2313
1-docosahexaenoylglycerol (22:6)	MG 22:6	0.8842	0.1377	0.1377	0.1377	1.7503	1.2655	4.0843	0.4198	0.1377	0.1377	0.1377	0.1377	0.7094	1.0134	1.6805	8.5522	2.2705	6.4364	7.8000	8.2898	0.1564	0.2459	0.3524	1.4124	2.8144	5.1008	9.3129	6.3136	1	9.9193	1.8711	16.1778	0.5287	1.5517	0.8596	0.9932	0.2195	0.2213	0.1377	0.2870	0.2318	0.5398	0.7444	0.3766	0.1610	0.2180	0.1377	0.1377
1-heptadecenoylglycerol (17:1)*	MG 17:1/0:0/0:0	0.4488	0.1738	0.1738	0.1738	1.2708	0.9215	1.7148	0.1979	0.1738	0.1738	0.1738	0.1738	1	0.3190	2.4504	9.7758	2.2971	4.9914	4.2529	5.2676	0.1738	0.1738	0.2808	1.1083	4.4409	5.2162	3.2686	4.4471	0.4599	5.8761	0.5504	7.7754	0.2745	1.8561	1.3421	1.4300	0.2869	0.1832	0.2372	0.3202	0.4475	0.9309	1.6397	0.6092	0.1738	0.3244	0.2121	0.1749
1-lignoceroyl-GPC (24:0)	LPC 24:0/0:0	0.3461	0.4226	0.5435	0.6371	0.3631	0.1849	0.1849	0.4421	0.5354	0.4878	0.4493	0.2659	2.2600	2.0627	3.1311	1	1.0647	1.1679	0.5340	0.5830	3.7823	4.3103	1.3291	2.0424	1.3398	1.3007	0.6335	1.1286	0.6492	0.7693	0.4697	1.0074	2.6777	3.0152	2.2872	2.1724	0.3504	0.3339	0.4474	0.4163	0.9292	0.9537	1.0031	1.1496	2.9351	3.1485	3.0270	4.0234
1-linoleoylglycerol (18:2)	MG 18:2	0.7236	0.1422	0.1237	0.1793	1.2264	1.0287	1.8632	0.5828	0.1237	0.1353	0.1237	0.1417	0.9803	1.1024	2.1630	8.8017	1.9382	4.7229	4.8964	5.2159	0.1237	0.1237	0.2535	1.0197	3.4972	5.9054	4.8643	4.3592	0.6892	5.6161	0.5353	7.8193	0.5211	1.6837	1.0221	1.2686	0.2241	0.2712	0.2466	0.4891	0.4324	0.7270	1.0580	0.5697	0.2435	0.2925	0.1237	0.1237
1-linoleoyl-GPC (18:2)	LPC 18:2/0:0	0.7098	0.6937	1.2051	1.0335	1.9088	1.3481	1.5376	5.0127	1.0610	1.7315	1.5947	0.2079	1	0.9137	1.1043	2.3169	0.2079	0.2079	0.4007	1.1207	0.7004	0.9443	0.2079	4.8724	0.3934	0.6548	0.2079	0.2079	0.4129	1.0297	0.2079	2.1030	0.2079	0.4670	0.4818	0.6889	0.5003	0.6910	0.7491	0.9832	0.8306	1.5328	1.0031	0.9693	1.9141	2.3161	0.7643	2.0230
1-linoleoyl-GPE (18:2)*	LPE 18:2/0:0	1.1383	0.9341	1.2242	1.1203	1.6035	1.4507	1.6127	4.8094	1.3852	1.5608	1.8670	0.4702	1.4993	0.8866	1.4712	0.1507	0.2520	0.5605	0.1507	0.8238	0.3023	1.2935	0.7172	3.4602	0.1507	1	0.1507	0.1507	0.4952	1.1888	0.1507	2.1100	0.3112	0.9179	0.6590	0.8453	0.6309	0.5149	0.5810	0.7483	0.9693	1.2755	0.9390	0.9067	3.5734	4.4367	1.7395	4.0403
1-linoleoyl-GPI* (18:2)*	LPI 18:2/0:0	2.1787	0.9496	0.9845	0.7100	4.1451	2.7875	5.8571	2.6409	0.7551	1.0660	1.1845	0.4471	0.2611	0.2611	1.5218	1.3387	0.4608	0.9909	0.6296	1.1471	0.9953	1.0496	0.8133	4.5561	0.4168	0.5229	1.0038	0.4963	0.4669	2.7122	0.6152	3.9787	0.5544	1.4545	1.1560	0.7764	0.5965	0.3676	0.7372	1	1.0768	0.7910	1.0134	0.6002	2.4005	2.7603	1.4993	2.2788
1-margaroylglycerol (17:0)	MG 17:0	0.8596	0.2292	0.1624	0.5314	2.0699	1.3966	2.0669	0.4254	0.8364	0.5874	0.9633	0.1624	1.6365	1.3750	1	5.4040	2.0492	2.4816	2.5370	2.7052	0.3372	0.2881	0.7036	2.7854	2.2109	3.5805	2.2155	2.5175	0.8902	6.7594	1.5899	9.0735	0.7255	1.0538	0.5852	1.5368	0.4843	0.7582	0.1624	0.6434	0.1624	1.0722	0.8688	0.7165	0.7754	1.1385	0.3689	0.3779
1-meadoylglycerol (20:3n9)*	MG 20:3/0:0/0:0	0.1175	0.1175	0.1175	0.1175	0.3278	0.1863	0.3293	0.1175	0.1175	0.1175	0.1175	0.1175	0.2234	0.4729	2.8400	7.3795	1.1892	7.2555	2.6070	3.2843	0.1175	0.1175	0.4653	0.1175	5.5651	3.8347	0.8100	5.5157	0.1681	3.5489	0.1175	1.4844	1.3662	2.7931	1.4645	0.8108	0.1175	0.1175	0.1175	0.1175	0.1198	0.2095	0.2166	0.1175	0.1409	0.1175	0.1175	0.1175
1-methyl-4-imidazoleacetate	Methylimidazoleacetic acid	0.9683	0.7364	0.6580	0.5809	0.9108	0.6964	0.9783	0.3028	0.3028	0.3028	0.3028	0.3028	4.4246	4.9047	0.6600	0.3028	0.9538	0.3088	0.3028	0.3028	0.3028	0.9863	0.3028	1.0303	0.3028	0.3028	0.3028	0.6798	0.3028	0.3028	0.3028	0.8346	1.0623	1.2737	1.2396	1.4690	0.9314	1.1917	0.9541	1.1448	1.1570	1.3776	1.2795	1.0240	1.0660	1.1280	1	1.2484
1-methyl-5-imidazoleacetate	1-Methyl-5-imidazoleacetic acid	1.7763	0.5446	1.2763	1.1606	1.7612	1.2109	1.4504	0.2790	0.9388	0.7941	0.6568	0.2790	13.4158	16.9665	0.8195	0.2790	0.9690	0.8645	0.2790	0.4209	0.5727	1.1319	0.2790	0.7889	0.5700	0.8742	0.2790	0.8814	0.2790	0.5245	0.6484	1.1025	1.6258	1.7726	1.3272	1.7112	1.0741	1.0310	0.7419	0.8217	0.7889	1.0385	0.8449	0.7438	3.5177	3.7059	2.8256	4.6061
1-methyladenosine	1-Methyladenosine	1.5700	0.2340	0.3895	0.2340	1.8461	0.2340	1	0.2340	1.9360	0.6085	0.2340	0.2340	1.2885	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	0.4866	0.2340	0.2340	0.2340	0.2340	0.2340	0.2340	1.5325	1.8050	0.2340	0.2340	0.5388	0.6846	0.2340	0.2340
1-methylhistidine	1-Methylhistidine	1.6377	0.2030	1	1.7107	1.9367	1.2249	0.8550	1.1901	1.7594	1.5351	0.7880	0.1249	21.9454	14.4606	1.5473	0.1249	0.4244	0.2760	0.1719	1.0772	0.5092	0.6949	0.2040	2.2955	0.2349	0.3562	0.1249	0.5033	0.1249	0.7251	0.4457	1.4935	0.8693	0.9310	1.4827	1.8336	0.6372	0.4375	1.2930	1.5809	1.0426	1.9077	1.1798	1.3874	0.5583	0.8074	0.5445	1.4215
1-methylnicotinamide	1-Methyl nicotinamide	1.0822	0.9842	1.8140	1.5971	1.1521	0.9961	1.2056	1.2390	1.3620	1.4845	1.3777	0.8012	1.4314	1.4780	0.8373	0.3078	0.4479	0.7565	0.5316	0.7519	0.2914	0.3224	0.5562	1.3732	0.6946	0.7300	1.0039	1.1447	0.4141	0.8264	0.6795	1.2874	0.7064	0.7309	0.7689	0.8003	1.9301	1.9570	1.5524	1.8035	0.9670	0.8966	0.8228	1.1293	2.2458	2.4140	2.0945	2.7774
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	PC 14:0/20:4	1.4126	1.1605	1.2363	1.4867	1.6229	1.3977	1.5359	1.3134	1.4473	1.4498	1.3820	0.7061	1.1657	1.1065	1.5060	0.6798	0.9919	1.0955	0.5865	0.6725	1.4520	1.6177	1.2844	2.2260	1.0480	1.0406	0.6372	1.1324	0.4199	0.9585	0.6471	0.9936	0.8751	0.9698	0.9923	0.8748	0.4828	0.4222	0.3825	0.3767	1.0064	1.0786	0.8951	0.8741	0.5673	0.5632	0.5824	0.6042
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	PC 14:0/16:0	0.8711	1.4862	1.4865	1.5651	0.9005	0.9383	0.8138	1.5971	1.5736	1.5760	1.5446	1.2397	1.1364	1.0486	1.2943	0.5617	0.7992	0.8359	0.5868	0.5927	0.8347	0.8792	0.8785	0.9894	0.7089	0.7113	0.5611	0.7819	0.5376	0.7874	0.6545	0.9320	0.9641	0.9596	1.0106	0.9574	2.4051	2.3340	2.6693	2.4251	3.1174	3.2155	3.6825	3.6272	2.8657	2.9688	2.8852	2.5475
1-myristoylglycerol (14:0)	MG 16:3	0.5738	0.1803	0.1803	0.7652	1.1212	1.2434	1.6112	0.7471	0.1803	0.1803	0.3263	0.1803	0.7869	1.0412	1.7506	5.1260	1.1238	3.9722	2.6525	2.8194	0.1803	0.1803	0.3312	0.5234	1.9668	2.6026	1.5809	2.9900	0.3555	3.6748	0.9535	5.0514	0.3862	1	0.6740	0.9911	0.6922	0.9767	0.6943	0.7030	1.5948	2.1154	3.6888	2.4167	0.8590	0.7094	0.3759	0.1803
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*	PE 18:1/20:4	1.3236	0.9462	0.9360	0.9907	1.3911	1.3628	1.5426	1.1821	1.1635	1.0785	1.0958	0.8041	1.0683	1.0178	1.5086	0.9834	1.1152	1.1277	0.9222	0.8764	1.2384	1.2410	1.0524	1.1912	0.8996	0.9258	0.9401	1.1926	0.6536	0.8719	0.7575	0.8837	0.9309	0.9591	0.7986	0.7262	1.1032	1.0093	0.9218	0.9320	0.7998	0.7765	0.6416	0.6446	1.6191	1.6910	1.6489	1.3919
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*	PI 18:1/20:4	0.7480	0.6905	0.6577	0.6788	0.7669	0.9941	1.0710	0.7284	0.7486	0.7150	0.6878	0.5803	1.1018	1.0647	1.1034	0.9264	1.3239	1.3670	1.1564	1.1773	1.2647	1.2893	1.0231	1.0094	1.0851	1.1350	1.0750	1.3921	0.8611	1.0059	0.8561	0.9602	1.4004	1.3058	1.2322	1.1527	1.0956	0.9406	0.8832	0.9789	1.1103	1.1520	0.9423	0.8964	0.5094	0.5309	0.5133	0.1775
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	PC 18:1/22:6	1.4064	0.7088	0.7406	0.8266	1.4425	1.1797	1.3720	0.7375	0.7714	0.7058	0.7067	0.4702	0.8001	0.7351	1.0820	0.7073	1.0165	1.1583	0.7653	0.8619	2.0216	2.1106	0.9655	1.0515	1.1290	1.0910	0.6824	1.0414	0.6672	0.8904	0.6151	0.7440	1.2312	1.2584	1.0957	0.9942	1.1521	1.1162	1.1179	1.1015	1.2052	1.2472	1.0058	1.0244	0.6347	0.6584	0.6336	0.4907
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*	PE 18:1/22:6	1.3321	0.9573	0.8347	0.8680	1.4337	1.4297	1.4429	0.6615	0.6631	0.6433	0.6646	0.8329	0.8839	0.8558	1.6345	1.5256	1.6610	1.9325	1.3524	1.4043	1.4042	1.4878	1.3239	1.6672	1.4952	1.5014	1.2222	2.0535	1.0427	1.4630	1.2626	1.2719	1.1244	1.1320	0.9374	0.9401	0.4901	0.4775	0.4415	0.4405	0.4155	0.4367	0.3432	0.3629	0.7995	0.8267	0.7974	0.6540
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	PC 18:1_18:2	1.6527	1.1369	1.1225	1.3554	1.5670	1.4052	1.7446	0.9249	0.9397	1.0656	1.0271	0.9729	1.6661	1.5149	1.0599	0.8904	1.3807	0.9368	0.7300	0.7497	1.9264	2.1661	1.3643	1.6727	1.2595	1.2729	0.6422	0.7437	1.1481	1.2190	0.9521	1.0684	1.0990	1.0735	0.8589	0.9111	0.8937	0.8082	0.8172	0.8374	0.7492	0.7287	0.7000	0.6059	0.5986	0.6259	0.5344	0.3937
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	PE 18:1/18:2	1.0033	0.8454	1.0238	1.0352	1.0392	1.1171	0.9967	1.2572	1.2450	1.3667	1.3126	0.6950	1.2578	1.1761	1.5174	0.6473	0.8423	0.7274	0.2743	0.2895	1.6883	1.7018	1.3253	1.5998	0.7511	0.7548	0.1635	0.2660	0.9741	0.7606	0.5604	0.6963	1.1044	1.1438	0.6510	0.6523	0.9297	0.8629	0.8667	0.8217	1.2503	1.2313	0.9513	0.9679	3.0590	3.1573	3.1501	2.4922
1-oleoylglycerol (18:1)	MG 18:1/0:0/0:0	0.6572	0.1685	0.2029	0.1166	1.6533	1.4205	1.5498	0.1850	0.2664	0.2475	0.3504	0.1532	0.7666	0.8598	1.2167	13.4685	2.6608	6.7976	6.6319	8.0391	0.3258	0.1704	0.6823	1.4059	4.8363	6.2074	4.5225	6.2787	0.5939	8.9564	1.5631	7.8888	0.9087	2.4085	1.4375	1.7819	0.7195	0.7672	0.5844	0.7801	1.0913	1.7439	2.6392	1.4547	0.6434	0.8528	0.3096	0.3682
1-oleoyl-GPC (18:1)	LPC 18:1/0:0	0.8325	0.8748	0.8901	0.6501	1.4612	1.0028	1.1703	3.0845	0.8689	1.1258	1.0741	0.4581	1.1939	0.6987	1.5420	2.2162	0.5376	1.4455	1.5908	2.6347	0.9682	1.0463	0.6394	4.5484	0.8264	1.5559	0.3618	1.1111	0.5331	3.2365	0.6466	5.2447	0.3439	0.9972	0.6957	0.6909	0.7091	0.5598	0.7224	0.7218	1.3282	1.4876	1.0918	0.9713	1.8960	2.1853	0.9775	2.2026
1-oleoyl-GPE (18:1)	LPE 18:1/0:0	0.9617	0.7741	0.7989	0.5649	1.4728	1.4791	1.3418	3.0539	0.9906	1.0398	1.0488	0.4578	1.2280	0.6869	2.0717	1.9494	0.5709	1.3686	0.9701	1.5955	1.1377	1.1723	0.7690	3.9424	0.7294	1.2740	0.2881	0.9500	0.5106	2.7390	0.5701	4.2847	0.4527	1.0094	0.8431	0.7551	0.8501	0.6670	0.7153	0.7579	1.1996	1.1200	0.9212	0.7482	3.8703	4.9344	2.0459	4.4867
1-oleoyl-GPG (18:1)*	LPG 18:1/0:0	1.3217	1.2170	0.4544	0.5393	4.0565	2.8147	5.1408	3.0901	1.0310	0.9408	1.1417	0.4921	0.7153	0.8939	0.1352	1.1408	0.2810	0.7110	0.1352	0.4888	0.7423	1.0790	0.6346	2.0372	0.6015	1.0775	0.2628	0.3878	0.1447	2.6378	0.5362	5.2773	0.1415	0.6857	0.4332	0.5456	1.2552	1	0.6194	1.0927	0.9441	2.5444	1.6236	1.1785	2.2487	2.6676	1.2468	1.9163
1-oleoyl-GPI (18:1)	LPI 18:1/0:0	0.3679	0.3140	0.2405	0.1448	0.8264	0.6339	1.1309	1.0184	0.2459	0.3661	0.2925	0.1397	0.4457	0.2426	1.5378	3.8257	0.7677	1.9344	1.6852	2.6377	1.4329	1.4326	0.9148	6.4551	0.7570	1.2703	2.9622	1.3546	0.6645	5.8506	1.0876	8.1859	0.8608	2.3791	1.7225	1.6046	0.6260	0.4481	0.4697	0.6132	0.9816	1.4578	1.0290	0.5684	1.5884	1.9012	0.7856	1.6860
1-oleoyl-GPS (18:1)	LPS 18:1/0:0	0.7177	0.8894	0.5281	0.7523	1.8427	1.3961	2.5214	2.4230	0.5898	0.7418	0.8303	0.3558	0.5251	0.4522	2.1364	1.8807	0.4131	1.7082	0.6624	1.1842	0.6508	0.8567	0.9806	9.6588	0.4730	1.2178	0.3711	1.4427	0.6059	3.8396	0.5870	6.1687	0.2693	0.7986	0.5744	0.7001	1.2782	1.0194	1.1662	1.9346	1.1539	1.8479	1.4175	1.1468	1.4900	1.9691	0.7502	1.4872
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*	PC 16:1/18:2	1.0235	1.0093	1.0875	1.1614	1.0971	0.8383	1.0655	1.2875	1.2638	1.3051	1.3796	0.6873	1.8290	1.7074	1.3507	0.6061	1.1149	0.8684	0.7278	0.7953	1.4390	1.3855	1.7077	2.3657	1.2258	1.2012	0.5484	0.5585	0.8781	1.1129	0.7796	1.1580	0.8608	0.8499	0.8942	0.8002	0.6210	0.6311	0.5936	0.5726	1.2324	1.2691	0.8487	0.8371	0.9701	0.9907	0.9660	0.6964
1-palmitoleoyl-2-oleoyl-GPC (16:1/18:1)*	PC 16:1/18:1	0.7240	0.8013	0.5212	0.5477	0.7312	0.4315	0.5343	1.0913	1.0882	1.1569	1.1432	0.5306	1.1023	0.9445	1.1710	0.6678	1.0267	0.7762	0.5099	0.5551	1.1148	1.4968	1.1180	1.3212	0.9905	0.9917	0.5204	0.6286	0.7128	0.8211	0.6046	0.9303	0.7910	1.0083	0.7767	0.6517	1.8400	1.6207	1.4823	1.5276	2.2509	2.5821	1.2653	1.3708	2.2119	2.1845	2.0218	1.3856
1-palmitoleoyl-2-oleoyl-GPE (16:1/18:1)*	PE 16:1/18:1	0.4863	0.9752	0.7505	0.7932	0.6048	0.7883	0.6024	2.1151	2.1243	1.9567	1.8532	0.6816	1.1069	1.0696	1.9509	0.6911	1.0109	0.8570	0.4157	0.4385	2.0044	2.0633	1.4478	1.6894	0.8803	0.9891	0.3887	0.6668	0.5503	0.9112	0.7162	0.8618	0.6936	0.6415	0.6640	0.6455	6.9307	6.3484	5.9935	5.8507	7.9185	8.0010	5.7012	5.4467	16.9931	17.3469	17.3240	12.6074
1-palmitoleoylglycerol (16:1)*	MG 16:1	0.3292	0.0415	0.0415	0.0415	1.0912	0.6910	2.0230	0.7170	0.1424	0.0415	0.1195	0.0415	0.0415	1.3174	2.0580	9.0752	1.7304	4.3308	4.7010	5.1074	0.0418	0.0626	0.3716	1.1150	3.7443	5.7020	3.3853	4.2425	0.0415	5.8913	1.0135	8.5140	0.2178	1.4801	0.7259	0.8746	0.7372	0.5833	0.5559	0.6102	0.9865	1.6579	2.2284	1.3505	0.6316	0.6206	0.3469	0.2384
1-palmitoleoyl-GPC* (16:1)*	LPC 16:1/0:0	0.6193	0.9860	0.8518	0.9897	0.7988	0.6379	0.7378	1.5890	1.2888	1.4886	1.4988	0.4830	1.3122	0.9283	1.9119	0.6496	0.8640	1.0502	1.7259	1.8582	1.1942	1.3969	1.2654	2.5136	1.0716	1.2847	0.4368	1.0046	0.6348	0.9222	0.5827	1.0428	0.9784	1.0471	0.9954	0.9393	0.7433	0.5497	0.6761	0.6097	1.6546	1.7331	0.8467	0.9478	2.9141	2.6203	2.6653	2.4918
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	PC 16:0/20:4	1.1998	1.0474	0.9432	1.0109	1.2217	0.9470	1.3635	1.0540	1.1333	1.0200	1.0192	0.8510	1.3071	1.2286	1.2836	0.9111	0.8971	1.3743	1.3503	1.3290	0.8039	0.8232	0.8564	0.9823	0.9180	0.9152	1.7182	1.6073	0.6559	0.8650	0.7451	0.9705	0.9542	1.0219	1.0837	0.9977	0.8192	0.7750	0.8668	0.8637	1.1457	1.1313	1.0023	1.0197	0.9131	0.9277	0.8853	1.0884
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	PE 16:0/20:4	0.7643	0.7706	0.7241	0.7845	0.8082	0.7067	0.8568	1.5808	1.5417	1.4386	1.4663	0.6369	1.0801	0.9930	1.3592	0.7929	0.7412	1.0740	1.0230	0.9524	0.6769	0.6951	0.7105	0.6530	0.6574	0.6807	1.4167	1.3017	0.4765	0.6221	0.5158	0.6704	1.0350	1.0936	1.1012	1.0070	0.9240	0.8439	1.0829	1.0447	1.2344	1.2130	1.1880	1.1461	2.3347	2.4308	2.3867	2.9907
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	PI 16:0/20:4	0.9083	0.5406	0.5711	0.5188	0.9327	1.0392	1.0148	0.9526	0.9212	0.9158	0.8728	0.4376	1.4431	1.1865	1.1045	0.6265	0.9816	1.2469	1.0023	1.0068	0.6297	0.6155	0.6537	0.5735	0.9115	0.9611	1.3180	1.1478	0.7884	0.6845	0.5687	0.7004	0.9815	0.9977	1.1779	1.1441	2.2236	1.9187	2.5117	2.4855	3.1938	3.4022	3.3499	3.2167	2.2864	2.3601	2.2783	2.2969
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*		0.6574	0.7317	1.1055	0.9963	0.2564	0.6572	0.5589	0.9714	0.9636	0.9642	0.9492	0.5534	1.1812	1.2090	1.4833	1.0611	0.9376	1.3070	1.4739	1.4287	0.2564	1.0928	1.0909	1.2361	0.9575	1.0054	1.6835	1.3541	1.0037	1.0738	0.9499	1.1559	1.3217	1.4512	1.5913	1.4256	0.2564	0.2789	0.2979	0.2610	0.7471	0.7705	0.6206	0.6878	0.9742	0.9694	1.0147	1.0461
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	PC 16:0/22:6	1.6419	0.7284	0.7990	0.8602	1.6886	1.3338	1.6433	0.8533	0.9142	0.8143	0.7840	0.5246	0.9972	0.8870	1.1166	0.5412	0.8247	1.1334	0.8876	0.9949	1.0028	1.0757	0.8124	0.8521	0.8369	0.8285	1.1488	1.1541	0.5938	0.7359	0.5162	0.7391	1.0090	1.0294	1.1428	1.0299	0.9911	0.9451	1.1848	1.1467	1.4974	1.5675	1.3907	1.4175	1.0700	1.0894	1.0533	1.2126
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	PE 16:0/22:6	0.9723	1.0967	0.9934	0.9749	1.0291	0.9315	0.8710	0.9793	1.0357	0.9511	1.0066	0.9023	1.0653	1.0443	1.6494	0.9667	1.0738	1.5893	1.5187	1.5163	0.8076	0.8639	1.2758	1.2714	1.1027	1.0454	1.8712	1.9407	0.8574	1.1140	0.9134	1.2402	1.2404	1.2116	1.3118	1.3149	0.3371	0.3622	0.4461	0.4131	0.4150	0.4455	0.4366	0.4674	0.9456	0.9749	0.9371	1.1503
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*	PC 16:0_18:3	1.7145	1.1339	1.3640	1.5055	1.8108	1.6822	1.4482	1.4332	1.5542	1.5493	1.4391	0.8468	0.9742	0.9562	1.4772	0.8167	1.0258	1.0688	0.4921	0.5517	1.3723	1.6312	1.3561	2.0795	1.3067	1.2251	0.3629	0.9158	0.3912	0.9547	0.6958	0.8467	1.2371	1.3385	1.2835	1.1628	0.1724	0.1518	0.1982	0.1792	0.2104	0.2066	0.1802	0.1880	0.2845	0.2917	0.2554	0.2801
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	PC 16:0/18:2	0.9825	1.0037	0.9963	1.0324	1.0385	0.9637	1.0807	1.0789	1.0689	1.0468	1.0480	0.8577	1.2386	1.1961	1.3031	0.8349	1.1122	0.9035	0.8465	0.8603	1.3664	1.3018	1.4064	1.5546	1.0817	1.0903	0.6628	0.8048	0.8049	1.0709	0.8956	1.0361	1.1464	1.1238	1.1037	1.0527	0.6252	0.6488	0.6871	0.6286	0.7849	0.7394	0.7035	0.6759	0.8065	0.8294	0.8594	0.7945
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	PE 16:0/18:2	0.9644	1.0176	1.1365	1.1480	0.8180	0.7689	0.8257	1.3178	0.4136	0.4136	0.4136	0.9824	1.5802	1.2535	0.4136	0.6057	0.4136	0.7256	0.6542	0.6676	1.4241	1.6017	1.5709	1.7221	0.4136	0.8105	0.4136	0.4404	1.1615	0.6430	0.6188	0.7670	1.5894	1.7105	1.5267	1.4336	0.4136	0.4136	0.4136	0.4136	0.4136	0.4136	0.4136	0.4136	0.4136	0.4136	0.4136	0.4136
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	PC 16:0/18:1	1.0412	0.9405	0.8719	0.9139	1.0610	0.9347	1.0552	1.0066	1.0013	0.9918	0.9791	0.7961	1.0627	0.9823	1.1137	0.7305	0.9002	0.9776	0.8633	0.8671	0.9461	1.0023	0.9987	1.0621	0.9287	0.9205	0.8868	0.8893	0.7603	0.8816	0.7812	0.9240	1.0736	1.0763	1.1023	1.0735	1.0273	0.9957	1.1372	1.1318	1.2304	1.2746	1.1661	1.1494	1.2655	1.2900	1.2792	1.2443
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	PE 16:0/18:1	0.6888	0.7798	0.7103	0.7551	0.7168	0.6852	0.7113	1.2687	1.2411	1.1962	1.2029	0.6080	0.9843	0.9451	1.3412	0.6873	0.8879	0.9929	0.8155	0.8699	0.9847	1.0071	1.0782	1.1596	0.8366	0.8532	0.8000	0.9644	0.6943	0.8311	0.6763	0.8394	1.1718	1.1864	1.1517	1.0690	1.1524	1.0840	1.4095	1.3319	1.7597	1.7630	1.6136	1.6101	1.9792	1.9976	1.9877	2.2610
1-palmitoyl-2-oleoyl-GPG (16:0/18:1)	PG 16:0/18:1	0.7987	0.7166	0.6967	0.8093	0.9398	1.0703	1.5173	1.2706	1.2465	1.2115	1.1736	0.4388	1.2927	1.2157	1.4100	0.4819	0.7455	1.0029	0.6107	0.5996	1.0121	1.0445	0.7782	0.7961	0.8838	0.9772	0.6202	1.0269	0.4650	0.5440	0.3477	0.4783	1.0356	1.2158	1.0884	0.9971	0.7584	0.7242	0.6219	0.5360	1.7889	1.9703	1.6296	1.6832	1.6921	1.7842	1.7379	2.0316
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*	PI 16:0/18:1	0.6182	1.6636	1.8129	1.9496	0.6141	0.4839	0.8686	2.6537	2.5771	2.9329	2.8116	1.2070	0.4724	0.4878	1.4890	0.3692	0.2474	0.4403	0.4581	0.4803	0.8681	0.9537	1.1646	1.9621	0.3338	0.3418	0.7497	0.8040	0.1501	0.7005	0.4621	0.9277	0.9526	0.9871	1.0129	0.9830	1.3895	1.4026	2.4832	2.1836	4.5228	4.8124	4.1288	4.0824	5.6450	5.8642	5.8105	6.5731
1-palmitoyl-2-oleoyl-GPS (16:0/18:1)	PS 16:0/18:1	0.8178	1.1003	1.1050	1.1836	0.8278	0.5354	0.6889	1.9701	1.9831	1.9291	1.9670	0.8813	1.0097	0.9363	1.0610	0.6521	0.7073	0.7561	0.6187	0.6469	1.1125	1.1579	1.3263	1.5550	0.7524	0.7600	0.6576	0.6118	0.5260	0.9903	0.7572	1.0388	0.6485	0.6926	0.6581	0.6244	0.7038	0.6624	1.0761	1.0798	1.3311	1.4316	1.0866	1.1305	2.6343	2.7386	2.5443	2.4570
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	PC 16:0/16:1	0.7898	1.1421	0.9793	1.0186	0.8216	0.7438	0.8015	1.3533	1.3193	1.3148	1.3040	0.9293	1.1993	1.1335	1.2797	0.5709	0.7836	0.7969	0.7356	0.7399	0.9113	0.8749	1.0860	1.2482	0.8814	0.8944	0.6421	0.6690	0.6171	0.8087	0.7148	0.9414	0.9677	1.0029	0.9971	0.9247	1.1715	1.1334	1.2926	1.1949	1.6478	1.7161	1.4362	1.4062	2.1402	2.1676	2.1380	2.1544
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	PC 16:0/18:0	1.8290	1.5365	1.7441	1.8696	1.9113	1.5371	2.0278	1.1527	1.1188	1.1819	1.2094	1.1957	1.4962	1.4168	0.8987	0.6890	0.9180	1.0845	1.0188	1.0889	0.9960	1.0515	0.8690	1.4452	0.8955	0.9175	1.3499	1.1671	0.4573	1.0040	0.8139	1.1925	0.6294	0.6340	0.6451	0.6541	0.9084	0.8301	1.0133	0.9251	0.6556	0.6731	0.7525	0.7495	0.6769	0.7064	0.6643	0.6647
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*	PE 16:0/18:0	1.0974	1.1576	1.0240	1.2997	1.5056	1.2933	1.6551	0.7563	0.5332	0.7517	0.7060	0.6600	1.4255	1.2114	1.3784	0.8107	0.9052	1.1939	1.0616	1.1505	0.9161	1.0449	1.0967	2.5819	0.9008	0.9604	1.3229	1.9659	0.2946	1.1208	0.7176	1.1323	0.7131	0.7597	0.5473	0.6644	0.8990	0.7909	1.0235	0.8326	0.7223	0.7739	0.7701	0.6949	1.2260	1.3212	1.2282	0.9765
1-palmitoylglycerol (16:0)	MG 16:0/0:0/0:0	0.5249	0.3121	0.3873	0.2351	1.3193	1.1467	1.9716	0.7835	0.7995	0.5334	0.5400	0.2307	0.9791	1.3233	1.2825	5.8429	1.0209	5.6786	3.4367	5.5117	0.2915	0.2895	0.7017	1.0767	2.6651	2.4210	2.4933	3.0664	0.7332	6.9526	0.7379	6.8769	0.8541	1.9992	1.3591	1.3029	0.7263	0.8584	0.8600	0.7771	1.2449	1.6707	2.4968	1.8872	0.4361	0.9091	0.5792	0.2613
1-palmitoyl-GPC (16:0)	LPC 16:0/0:0	0.6476	0.7844	0.8553	0.8909	0.7361	0.5399	0.7301	1.3284	1.0862	1.3420	1.2260	0.4396	1.1047	0.8620	1.8043	0.4685	0.5700	0.9967	1.4674	1.5688	0.9360	1.1320	0.8586	1.6587	0.6531	0.7814	0.6636	1.1084	0.5267	0.6537	0.4202	0.8178	0.9937	1.1822	1.0112	1.0543	0.7604	0.6918	1.0887	1.0033	2.3175	2.3038	1.3936	1.7979	4.9900	5.0491	4.9031	7.9371
1-palmitoyl-GPE (16:0)	LPE 16:0/0:0	0.6156	0.7821	0.7242	0.7475	0.6226	0.5024	0.5833	1.5222	1.5786	1.3598	1.1206	0.4919	1.1052	0.9334	2.2129	0.4905	0.5604	1.0321	1.0352	1.0515	0.9517	1.0841	0.9679	1.4544	0.6788	0.7799	0.6078	1.1256	0.4869	0.6352	0.4561	0.7646	1.3087	1.4385	1.4473	1.3930	0.5931	0.5373	0.9291	0.8428	1.5941	1.5994	1.0983	1.2760	7.0943	7.1293	6.9436	11.3260
1-palmitoyl-GPG (16:0)*	LPG 16:0/0:0	0.1605	0.6589	0.1605	0.4251	1.3801	1	2.3852	3.6843	1.1409	1.3157	1.2608	0.1605	0.6735	0.7539	0.1605	0.1605	0.1605	0.1605	0.1605	0.1605	0.4210	0.5968	0.1605	0.7096	0.1605	0.1605	0.1605	0.1605	0.1605	0.1605	0.1605	0.1605	0.2472	0.7420	0.6321	0.7160	0.6998	0.6205	0.7036	1.0114	1.5866	3.0665	2.3521	1.8061	2.3258	3.0969	1.4313	3.7104
1-palmitoyl-GPI* (16:0)	LPI 16:0/0:0	0.2360	0.3161	0.2589	0.1770	0.4675	0.3708	0.7681	1.2955	0.3191	0.4941	0.4088	0.1221	0.4690	0.2619	1.2346	2.7792	0.4363	1.4598	1.3557	2.0966	0.6952	0.6950	0.5793	3.9963	0.5044	0.8947	4.5185	1.0427	0.5433	4.0306	0.7858	6.5674	0.6230	1.7465	1.5750	1.4515	0.9573	0.7652	1.0666	1.3269	2.3652	3.6971	3.2022	1.8961	2.7025	3.5761	1.6110	3.8979
1-palmitoyl-GPS (16:0)*	LPS 16:0/0:0	0.4252	0.8551	0.7511	1.0647	0.9603	0.6541	1.9747	3.8058	0.8375	1.0562	1.0148	0.3065	1.5515	1.2470	1.7670	3.5939	0.4319	2.1065	1.7724	3.0825	0.6775	0.8671	0.8277	13.2775	0.7969	1.4165	1.9720	2.0619	0.3055	6.2301	0.9377	12.1719	0.4027	1.5535	1.0720	1.4117	0.5045	0.3493	0.3170	0.7665	0.1555	0.5315	0.4570	0.3172	1.8368	2.3771	0.9852	3.2207
1-ribosyl-imidazoleacetate*	Imidazoleacetic acid riboside	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.6430	0.8710	1.1924	0.6430	1.1290
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	PC 18:0/20:4	1.2100	1.0550	0.9348	0.9720	1.2877	1.0533	1.4160	0.7181	0.7421	0.7190	0.6960	0.8570	1.2217	1.1674	1.0125	1.0406	1.0665	1.3905	1.4715	1.5204	1.3361	1.3471	1.1254	1.3135	1.2551	1.2761	1.6713	1.7624	0.8508	1.2211	0.9875	1.2261	0.9873	1.0161	0.9855	0.9593	0.2727	0.2714	0.2706	0.2764	0.2646	0.2789	0.2673	0.2645	0.3566	0.3657	0.3642	0.4014
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	PE 18:0/20:4	1.3170	0.9969	0.9988	1.0664	1.3339	1.1216	1.3596	1.2311	1.2625	1.2477	1.2229	0.8678	1.1616	1.0972	1.0949	0.8677	0.9099	1.1637	1.0687	1.0151	1.0365	1.0655	0.9783	0.9671	0.9986	0.9710	1.2402	1.2009	0.6323	0.8654	0.7566	0.8300	1.0774	1.0856	1.0331	0.9561	0.4293	0.4152	0.4717	0.4668	0.5910	0.5990	0.4928	0.4725	0.9753	1.0012	0.9896	1.1095
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	PI 18:0/20:4	1.2086	0.8947	0.8242	0.8890	1.2793	0.9700	1.1611	0.8729	0.8964	0.8446	0.8318	0.6798	1.2794	1.2753	1.0036	0.8540	1.1892	1.2816	1.0456	1.0313	1.1436	1.1120	1.0631	1.2397	1.3029	1.3129	1.0193	1.2462	0.8332	1.1609	0.9301	1.1218	1.0339	1.0398	1.0202	0.9235	0.9278	0.8798	0.9612	0.9508	0.9964	1.0176	0.9071	0.8757	0.9679	0.9956	0.9699	0.9077
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	PS 18:0/20:4	0.9570	1.6731	1.4980	1.6165	1.0754	0.4829	0.9433	1.6799	1.8429	1.7020	1.6378	1.4209	1.5110	1.4889	0.8658	1.0178	1.0244	1.3095	1.3461	1.2898	0.5924	0.6340	0.8981	1.2290	1.2876	0.9822	1.9335	1.1804	0.6891	1.2027	1.1007	1.5418	0.7359	0.8482	0.7093	0.7077	0.0460	0.0460	0.1481	0.2240	0.0460	0.2213	0.2260	0.2435	0.4801	0.4313	0.4568	0.5155
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	PC 18:0/22:6	1.6341	0.9045	0.9893	1.0358	1.7373	1.4849	1.8102	0.7443	0.7311	0.6861	0.6554	0.7398	1.0279	1.0107	0.9675	0.7554	1.0678	1.2063	1.1106	1.0675	1.5085	1.5116	1.0762	0.9668	1.3073	1.3569	1.1995	1.3534	1.0894	0.9508	0.8002	1.0203	1.1406	1.1698	1.2041	1.0850	0.3031	0.2875	0.3574	0.3359	0.3191	0.3138	0.3740	0.3752	0.5151	0.5266	0.5079	0.5383
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	PE 18:0/22:6	1.3238	1.0586	1.1306	1.1352	1.3881	1.4251	1.3835	0.9823	0.9857	0.9693	0.8854	0.8878	1.0102	0.9636	1.2289	0.8338	0.9947	1.4301	1.1365	1.1279	0.9663	1.0053	0.9732	1.0105	1.2116	1.0505	1.1950	1.5594	1.1683	0.8763	0.7263	0.9529	1.2886	1.2892	1.3551	1.3614	0.1972	0.1679	0.2312	0.1907	0.2508	0.1902	0.2752	0.2891	0.7664	0.8119	0.7537	1.0643
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	PC 18:0/18:2	1.1691	1.0106	0.9590	1.0237	1.1348	1.1557	1.0729	0.9179	0.9409	0.8792	0.7445	0.6787	1.3746	1.3895	1.2095	1.0020	1.0643	1.1088	0.7752	1.0054	1.5792	1.6929	1.4204	1.3697	1.3883	1.2583	0.8415	0.9980	0.9842	1.2278	0.7950	0.9144	1.3111	1.4059	1.1837	1.1699	0.3848	0.3098	0.3995	0.3515	0.4140	0.4464	0.4977	0.4147	0.6000	0.7323	0.6764	0.7311
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	PI 18:0/18:2	0.9925	0.8761	0.9198	1.1224	1.1627	0.8380	1.0524	0.9643	1.0075	1.0317	1.0297	0.7374	0.4450	0.5378	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	0.4450	1.0685	1.1822	0.8587	1.2491
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	PC 18:0/18:1	1.1172	0.8197	0.7661	0.8394	1.1797	0.9665	1.1162	0.7827	0.7511	0.7482	0.7503	0.6527	1.0428	0.9745	1.1555	0.7554	1.0783	1.0549	0.9402	0.9831	1.5373	1.6602	1.2215	1.2904	1.1758	1.2180	0.9188	1.0169	0.8698	1.0554	0.8919	1.0822	1.2751	1.3035	1.1615	1.1263	0.6224	0.5855	0.6814	0.6423	0.7166	0.7422	0.6777	0.6744	1.0921	1.1195	1.0805	1.0495
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	PE 18:0/18:1	1.0206	0.9335	0.8770	1.0379	1.3352	0.9683	1.1753	1.2123	0.8971	1.2247	1.1767	0.5637	1.2798	1.1309	1.5659	0.5163	0.9016	1.0269	0.6203	0.6786	1.2841	1.4086	1.2991	1.8549	0.9857	1.0084	0.5433	0.7662	0.5901	0.9671	0.6337	0.9608	1.2555	1.2928	0.8736	0.9916	0.6482	0.5958	0.7571	0.6361	1.2018	1.3206	0.9317	0.9435	1.7288	1.8287	1.7065	1.7210
1-stearoyl-2-oleoyl-GPG (18:0/18:1)	PG 18:0/18:1	3.7205	0.6770	0.6839	0.8065	4.1963	3.1639	5.4244	1.2263	1.1618	1.0678	1.0440	0.4355	1.1122	1.0112	1.3005	0.1623	0.5351	0.5853	0.3254	0.3034	1.0309	1.0973	0.7402	0.7729	0.3641	0.3910	0.2392	0.2663	0.3657	0.3218	0.2285	0.4404	1.2621	1.2681	1.1762	0.9888	0.4920	0.4237	0.5381	0.4116	1.0837	1.2041	1.2181	1.1967	2.4967	2.6310	2.5295	3.2990
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*	PI 18:0/18:1	0.8911	1.3750	1.2046	1.3543	1	0.6018	1.1206	1.4532	1.4120	1.3078	1.4550	0.8887	0.3130	0.2431	1.0165	0.3147	0.1428	0.2711	0.2718	0.3126	1.1649	1.1510	1.0246	2.0566	0.2811	0.2384	0.4319	0.6569	0.0961	0.6624	0.5146	0.8237	0.6084	0.8025	0.6112	0.7366	1	0.8170	1.5513	1.3111	2.4943	2.7505	1.9351	2.0243	4.0302	4.3235	4.0891	5.1527
1-stearoyl-2-oleoyl-GPS (18:0/18:1)	PS 18:0/18:1	1.3058	1.0202	1.0561	1.1028	1.3890	1.0277	1.2169	1.3178	1.2482	1.2704	1.2309	0.8112	1.0463	0.9979	1.0682	0.5769	0.7799	0.8060	0.5568	0.5873	1.1396	1.2226	1.1859	1.3574	0.9442	0.9806	0.5729	0.6310	0.5830	0.9602	0.7722	1.0021	0.7434	0.7675	0.6589	0.6209	0.7107	0.6082	0.9009	0.9208	1.1129	1.2180	0.9952	0.9648	1.4574	1.5128	1.4466	1.3724
1-stearoyl-GPC (18:0)	LPC 18:0/0:0	0.8807	0.8562	0.9212	1.1289	0.9310	0.7120	0.9783	0.9263	0.6970	0.8890	0.8736	0.4868	1.3023	1.1191	1.6284	0.6094	0.7517	1.0769	1.9285	2.0554	1.9264	2.3208	1.1873	2.8656	1.0259	1.1706	1.0217	1.5206	0.7525	0.9649	0.6454	1.1629	1.2698	1.4159	1.2030	1.1672	0.2266	0.2022	0.3221	0.2983	0.5014	0.4864	0.3566	0.4360	1.6810	1.7318	1.6660	2.7125
1-stearoyl-GPE (18:0)	LPE 18:0/0:0	0.9546	0.8211	0.7984	0.8342	0.9573	0.8719	1.1028	1.1904	1.0140	1.1326	0.9946	0.4842	1.4866	1.2657	2.3815	0.6268	0.7925	1.2905	1.4927	1.4878	1.5535	1.6455	1.2069	2.2219	0.9783	1.0054	0.9162	1.3406	0.6775	0.8281	0.5901	0.9410	1.7023	1.7987	1.6316	1.4960	0.2895	0.2363	0.4334	0.3441	0.7474	0.6375	0.4788	0.5147	3.7971	3.6293	3.7464	6.1084
1-stearoyl-GPG (18:0)	LPG 18:0/0:0	2.8682	0.7453	0.4506	0.3476	5.1751	3.6700	10.5627	3.6718	0.9088	0.6150	1.0358	0.3088	0.8659	1	0.3088	0.3088	0.3088	0.3088	0.3088	0.3088	0.5278	0.8128	0.3088	1.3211	0.3088	0.3088	0.3088	0.3088	0.3088	0.3088	0.3088	1.6991	0.3088	1.5946	0.7292	0.8797	0.3253	0.3088	0.3088	0.4168	0.8711	1.5740	1.3278	0.9276	3.2720	3.6101	1.3531	5.8134
1-stearoyl-GPI (18:0)	LPI 18:0/0:0	0.5184	0.3988	0.2255	0.1247	0.9092	0.4691	0.7946	0.9711	0.2774	0.2887	0.2251	0.1491	0.7106	0.2931	1.4332	4.4843	0.9097	2.1166	1.9978	3.0647	1.4300	1.6037	0.9894	7.6611	1.0958	1.9840	4.7102	1.6337	0.8669	7.0762	1.6394	9.7768	0.8343	1.9875	1.6047	1.5210	0.8120	0.5932	0.6562	0.8524	1.0106	1.4486	1.1318	0.7070	1.6454	2.1031	0.9558	2.1911
1-stearoyl-GPS (18:0)*	LPS 18:0/0:0	1.0114	0.9282	0.9886	1.0693	1.9147	1.0379	2.0029	2.9881	0.8444	0.6954	0.8388	0.4452	2.2990	1.5054	1.6609	2.1411	0.5969	1.7504	0.9563	1.6471	0.7944	0.8925	0.6135	6.6204	0.8773	1.5628	1.5233	1.1631	0.4519	3.8606	0.8061	7.3119	0.5858	1.4137	1.0296	1.1505	0.2515	0.1923	0.1760	0.2932	0.2165	0.3106	0.2175	0.1858	1.0531	1.3637	0.5802	1.5894
2_4-dihydroxybutyrate	2,4-Dihydroxybutanoic acid	0.8366	1.6692	1.2130	2.0146	0.8366	0.8366	0.8366	0.8851	0.8815	1.0409	1	0.8366	4.8148	4.2546	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.9051	0.8366	0.9073	0.8366	0.9172	0.8924	0.9620	0.8366	0.9509	1.3377	1.4731	1.9408
2_4-di-tert-butylphenol	2,4-Ditert-butylphenol	1.4668	1.1208	0.7001	0.7321	2.8433	1.6098	3.4058	2.9531	0.5646	0.7276	0.6516	0.4499	1.1085	1.0015	1.0841	2.2267	0.6400	1.6277	0.7316	1.3230	0.8953	0.9985	0.8280	4.0048	1.0830	1.9544	0.9838	0.9971	0.4210	5.0353	0.9248	5.9700	0.3233	1.0449	0.7393	0.7224	0.8660	0.5563	0.7285	1.1530	1.2948	2.5238	2.4739	1.0637	0.9619	1.0706	0.4347	0.8274
2-aminoadipate	alpha-Aminoadipic acid	1.7138	0.9647	2.5321	1.9529	1.0780	0.9217	0.8004	1.3859	1.8265	1.8783	1.7194	1.0100	12.5438	11.5269	0.6858	0.4090	0.9886	0.5313	0.4090	0.4090	0.4090	0.9900	0.4784	1.5860	0.5140	0.4846	0.4090	0.5935	0.4090	1.6354	1.1002	2.4233	0.4090	0.4090	0.5571	0.4553	0.4090	0.4090	0.4090	0.4090	0.4090	0.4090	0.4090	0.4090	0.4090	0.4090	0.4090	0.4114
2^-AMP	Adenosine 2'-phosphate	1.5555	0.6380	0.5685	0.5863	1.6927	0.8113	1.7834	0.2941	0.1668	0.3396	0.1687	0.1775	12.4063	5.2296	10.7382	1.5502	1.2483	4.5482	6.0761	7.8919	0.1668	0.2339	1.7228	2.3706	0.2110	0.1668	3.4951	6.0160	0.1668	0.9966	1.0034	1.2637	0.3463	0.4698	0.1668	0.1668	1.1053	0.5075	0.4254	0.5558	5.3471	1.2118	0.3106	1.0127	0.7197	0.6987	0.3751	0.1668
2-arachidonoylglycerol (20:4)	MG 20:4	0.8574	0.0961	0.1119	0.0961	1.7147	1.2392	3.1303	0.5625	0.0961	0.0961	0.0961	0.0961	1.2121	1.7508	2.4533	6.4917	1.8906	6.0834	7.0160	5.9401	0.2057	0.0961	0.4283	0.7854	2.8759	5.2613	10.7504	6.1890	0.7317	4.2413	1	6.4998	0.6477	2.1366	0.8581	0.9789	0.2402	0.0961	0.0961	0.4967	0.2090	0.5834	0.7247	0.4397	0.0961	0.4527	0.0961	0.0961
2^-deoxyadenosine 5^-monophosphate	dAMP	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	1.0818	0.4708	1.4413	1.3651	0.4213	2.5779	3.0835	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.4213	0.6927	0.7323	0.9182	0.8964	2.4694
2^-deoxycytidine	Deoxycytidine	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	4.6269	4.5177	1	0.2659	1.2807	2.1732	4.6269	2.3524	0.2049	0.2049	0.2049	0.2049	1.0732	1.0817	0.9621	1.4924	1.0253	0.9310	0.5147	0.6130	0.9035	0.8345	0.8677	0.6204	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049	0.2049
2^-deoxyguanosine	Deoxyguanosine	0.6497	0.4916	1.4006	3.1754	0.5455	0.6174	0.9163	0.7154	0.8637	1	1.2343	0.4916	1.8754	1.0171	0.4916	0.4916	0.4916	0.4916	9.8704	4.0613	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916	0.4916
2^-deoxyinosine	Deoxyinosine	1.4793	0.4992	1	3.0139	1.3703	1.1454	2.2013	1.1222	2.1042	1.3427	1.4333	0.3304	4.0469	3.0198	0.7048	0.1931	0.1931	0.2063	6.0485	2.7120	0.1931	0.1931	0.1931	0.3703	0.1931	0.1931	0.1931	0.1931	0.1931	0.1931	0.1931	0.1931	0.1931	0.1931	0.2200	0.1931	0.1931	0.1931	0.1931	0.1931	0.6916	0.9021	0.2093	0.2525	0.1931	0.2319	0.1931	0.6026
2^-deoxyuridine	Deoxyuridine	4.5639	2.2384	1.6375	1.2097	5.3159	5.9584	17.6407	2.2390	1.8891	1.7924	0.9424	1.2702	3.5296	2.0573	2.4420	0.3036	0.8893	1.2593	0.3036	0.3036	0.6196	0.8947	0.6926	1.5039	0.8068	0.9134	0.3582	0.5946	0.4434	0.7211	0.6432	1.0836	0.8716	1.0128	0.8397	0.8863	0.3036	0.3036	0.3036	0.3036	0.8155	0.9872	0.3036	0.3036	0.3036	0.3036	0.3036	0.3036
2-docosahexaenoylglycerol (22:6)*	MG 22:6	0.9282	0.0875	0.0875	0.0875	1.4477	1	3.5252	0.4593	0.0875	0.0875	0.0875	0.0875	1.0557	1.3588	2.3000	6.9995	2.2886	5.9335	6.2724	5.4833	0.0930	0.3059	0.2875	1.4001	2.4346	4.3596	7.0376	5.6228	0.8568	8.7111	2.0547	12.8708	0.5083	1.3719	0.9246	0.7716	0.1303	0.1431	0.0875	0.1757	0.2836	0.5949	0.5733	0.2345	0.1596	0.2409	0.0875	0.0875
2-heptadecenoylglycerol (17:1)*	MG 0:0/17:1/0:0	1.0226	0.1796	0.1796	0.2996	1.3539	0.9228	2.0136	0.5007	0.1796	0.2777	0.1796	0.1796	1.5209	0.7745	3.4241	11.0482	2.6295	5.4202	4.8340	4.5220	0.1796	0.2011	0.2711	1.4292	4.4787	7.9779	4.3806	6.0594	0.6275	8.0038	1.8273	9.9991	0.8262	1.9403	1.1121	1.5953	0.3800	0.3621	0.1796	0.4491	0.4402	0.9774	0.8816	0.6471	0.4796	0.4385	0.2863	0.3634
2-hydroxyadipate	2-Hydroxyadipic acid	0.4957	0.4957	0.9874	0.8616	0.4957	0.4957	0.4957	0.4957	0.4957	0.7281	1.8922	0.4957	6.0680	6.1986	0.4957	0.4957	0.6914	0.4957	0.4957	0.5494	0.4957	0.6546	0.4957	1.1301	1.0126	0.5823	0.4957	0.4957	0.4957	2.3335	2.1044	5.1984	0.6488	0.7657	1.0760	0.7392	0.4957	0.4957	0.4957	0.4957	0.4957	0.4957	0.4957	0.4957	0.8584	1.8326	1.0676	2.2251
2-hydroxyglutarate	2-Hydroxyglutaric acid	0.6532	0.4196	1.2958	1.0355	0.4124	0.3285	0.4135	0.8203	1.2434	1.3811	1.1002	0.3774	28.1630	25.9829	1.2599	0.4063	1.5013	0.8739	0.5508	0.7272	0.6076	0.6646	0.9101	1.7730	2.0747	2.0705	0.3399	0.4093	0.3535	1.6570	1.5801	3.9741	3.1577	3.1556	3.7210	3.4685	0.5720	0.4416	0.4395	0.4114	1.3285	1.3224	1.0900	1.1159	0.9645	0.9522	0.9609	2.0866
2-hydroxypalmitate	2-Hydroxypalmitic acid	3.4100	2.7044	1.5719	1.5280	8.3523	3.3860	13.4587	7.6710	2.3177	1.3604	1.3406	1.0648	1.9909	3.5154	0.3366	0.8525	0.2952	0.6458	0.2156	0.3098	0.2550	0.3015	0.4216	2.9564	0.4446	0.7167	0.2235	0.3660	0.2318	1.4876	0.3713	3.1988	0.4731	1.1865	0.9352	1.2346	0.7083	0.5984	0.5465	1.0859	0.7262	2.1832	0.7958	0.4858	1.4577	1.8145	0.8438	3.6120
2-hydroxystearate	2-Hydroxystearic acid	9.6191	4.1123	2.6251	2.4583	21.9367	9.6430	34.0912	8.5799	2.7213	1.6923	1.4389	1.8228	2.9816	4.9807	0.3340	1.2615	0.4438	0.9138	0.2911	0.4604	0.6172	0.4882	0.7136	4.0171	0.7522	1.0113	0.5203	0.3445	0.3832	1.8501	0.5304	3.3786	0.7768	2.2579	1.8445	2.0833	0.5976	0.5009	0.4999	0.8100	0.6076	1.2648	0.5379	0.4485	0.8288	0.9887	0.5123	1.8550
2-linoleoylglycerol (18:2)	MG 18:2	0.7908	0.0503	0.0503	0.0503	1.6029	1.0080	2.5999	0.3600	0.0503	0.1927	0.0503	0.0503	1.3919	1.5807	2.1426	7.5103	2.1162	4.4695	5.1561	4.4784	0.1511	0.0503	0.2902	1.3751	3.6601	5.9697	5.6437	4.5886	0.7559	4.9957	0.6009	7.2268	0.5221	1.5217	0.9778	0.9920	0.1863	0.1593	0.2007	0.2606	0.3797	0.6773	1.0407	0.6995	0.2321	0.2595	0.0503	0.0503
2-methylbutyrylcarnitine (C5)	CAR 4:0;2Me	0.2450	0.3780	0.6376	0.5690	0.1997	0.1715	0.1856	0.3007	0.4674	0.3790	0.3491	0.2783	10.5396	11.9554	3.0614	1.3874	1.5428	1.8542	1.1865	1.5001	0.4226	0.5662	1.2028	0.7429	2.1696	2.4108	1.4092	2.7320	0.4750	2.4698	1.5633	3.3491	1.0025	1.0506	1	1.1045	0.1693	0.1353	0.1130	0.1130	0.2675	0.3295	0.1704	0.2344	3.1234	3.3856	2.6572	4.0484
2-methylcitrate/homocitrate	Homocitric acid	0.2257	1.3126	2.2590	2.1866	0.2257	0.2257	0.2257	0.7029	0.8709	0.9445	1.2881	1.3308	8.9275	8.3966	1.8792	0.2257	1.5005	0.7271	1	1.6856	0.2257	0.4994	1.3752	1.1568	2.3172	2.6146	0.7976	1.4066	0.8862	0.7721	0.4554	0.6565	0.6364	0.5057	0.2916	0.8262	0.3015	0.2257	0.2257	0.2257	0.2257	0.4969	0.5326	0.6453	3.7385	3.7513	4.3588	2.4650
2-myristoylglycerol (14:0)	MG 0:0/14:0/0:0	0.7716	0.1642	0.2195	0.1642	1.1333	1.0750	1.5237	0.4890	0.1783	0.1642	0.5308	0.1642	0.9429	1.2487	1.8294	4.1586	1.0814	3.6175	2.0433	2.1258	0.1642	0.2816	0.4527	0.8284	1.8593	2.3625	1.6519	2.3532	0.2191	3.3162	1.0571	4.3263	0.1642	0.6295	0.5490	0.8020	0.4761	0.5575	0.6664	0.7271	1.1803	1.6782	2.6839	1.7153	0.7139	0.2861	0.3368	0.1642
2-oleoylglycerol (18:1)	MG 0:0/18:1(9Z)/0:0	0.6190	0.1372	0.1147	0.0568	1.5558	0.9951	1.4553	0.2625	0.2239	0.2523	0.2239	0.1273	0.8648	1.3256	2.1762	13.3370	2.1828	8.6924	6.9288	8.2809	0.3180	0.1747	0.6395	1.1934	6.4055	6.2001	4.1166	7.2741	0.4062	10.1716	1.0049	7.5061	1.3968	3.3716	1.6281	1.3646	0.4515	0.5408	0.6465	0.6113	0.9295	1.2828	1.6601	1.1955	0.4197	0.5163	0.2119	0.2663
2-O-methylascorbic acid	2-O-Methylascorbic acid	1	0.7255	0.9944	0.9656	1.0046	0.7379	1.1387	0.9058	1.0778	0.8598	0.7964	0.4067	6.7429	5.3359	2.5819	0.5559	1.0414	1.3659	0.8382	0.9613	0.9396	1.3770	0.7515	1.1955	1.1404	1.0516	1.1694	1.3010	0.5245	1.0303	0.7035	0.9313	1.6817	1.7078	1.5836	1.4285	0.4277	0.3724	0.3724	0.3767	0.6711	0.6244	0.4199	0.5076	1.2426	1.4009	1.4677	1.3917
2^-O-methylcytidine	2'-O-Methylcytidine	2.2724	0.4453	0.6392	0.4453	2.4284	0.6429	1.9203	1.0471	3.6990	2.7698	0.8132	0.4453	3.2877	3.5674	1.6133	0.4453	0.4453	0.4453	0.4453	0.4453	0.6239	0.8245	0.4453	1.4355	0.5171	0.6559	0.4453	0.7482	0.4453	0.4453	0.4453	0.5335	1	1.2994	0.8644	1.0506	0.4453	0.4453	0.4453	0.4453	0.4453	0.7211	0.4453	0.4453	0.4453	0.4453	0.4453	0.4453
2-oxoarginine*	2-Oxoarginine	0.1228	1.0342	0.4268	0.4053	0.1285	0.1491	0.1521	0.5126	0.5609	0.4983	0.4070	0.6561	1.8537	1.7743	3.2048	1.3483	1.2971	1.9733	0.1205	0.2080	2.4662	2.4595	1.1963	1.5808	2.6951	1.9802	2.3373	4.6791	0.3681	1.1227	0.6997	1.3134	1.6313	1.5770	1.3586	0.9658	0.5462	0.5166	0.5588	0.4928	0.5869	0.6213	0.3565	0.3043	13.8646	10.7310	12.3652	6.9167
2-palmitoleoylglycerol (16:1)*	MG 16:1	0.3993	0.0621	0.0621	0.0621	1.0820	0.5158	1.5258	0.0621	0.0621	0.0621	0.0621	0.0621	0.0621	1.6697	0.4569	7.4691	1.5217	3.8422	3.6872	3.2398	0.0621	0.0621	0.3611	0.8555	3.5135	5.8773	3.0267	3.8233	0.0621	4.6547	0.7694	6.7393	0.0621	0.0621	0.1425	0.1820	0.6466	0.4872	0.4110	0.4097	1	1.5970	1.6610	1.0659	0.6545	0.6005	0.4648	0.1780
2-palmitoleoyl-GPC* (16:1)*	LPC 0:0/16:1	1.0980	0.6476	0.8150	0.9459	1.4368	0.8709	1.2061	1.5611	1.6202	2.0064	1.6033	0.4823	0.7260	0.7820	1.3042	0.3953	0.7108	0.5996	0.8929	0.9427	0.8335	1.0280	1.0106	1.6171	0.5950	0.6355	0.2692	0.6103	0.5331	0.6502	0.3809	0.7327	0.9894	1.1655	0.7511	0.8460	4.8002	4.3440	5.5922	4.9303	10.3823	11.2609	6.5954	7.6322	12.0216	12.3573	12.0398	10.0968
2-palmitoylglycerol (16:0)	MG 0:0/16:0/0:0	0.7137	0.0653	0.1223	0.1594	1.6927	1.0639	2.4663	1.0078	0.1924	0.2998	0.2995	0.2875	1.6878	1.9342	2.2583	5.0864	1.2395	3.3445	2.5025	3.2147	0.1446	0.1972	0.3206	1.5787	2.1921	3.1125	2.2878	2.8728	0.7518	5.6990	0.9922	8.5393	0.7757	1.5388	0.7478	1.1921	0.4358	0.3724	0.6794	1.1228	0.6733	1.4380	1.5362	0.7383	0.4243	0.5505	0.2457	0.2123
2-palmitoyl-GPC* (16:0)*	LPC 0:0/16:0	1.5353	0.8022	0.8091	1.0032	1.5856	1.1652	1.9263	0.8220	0.7086	0.7889	0.8758	0.4689	0.5801	0.4864	1.4790	0.5907	0.8818	0.9596	1.4666	1.4916	0.9191	1.0793	1.1007	2.5610	0.8517	0.9375	0.6025	1.3201	0.4837	0.8542	0.4966	0.9968	0.6952	0.8235	0.7271	0.7666	1.5119	1.3966	1.9783	1.8367	2.0360	2.2915	1.7456	1.7136	1.7703	1.5852	1.4678	1.2799
2-phosphoglycerate	2-Phosphoglyceric acid	3.3172	2.1751	2.2511	2.0859	2.7692	2.0183	2.6796	3.1343	6.5435	3.6865	2.6539	2.2859	0.1083	0.1083	0.2588	0.1083	0.1083	0.1083	0.1083	0.1083	0.3964	0.2197	0.1220	1.3403	0.1083	0.1083	0.1083	0.1083	0.1083	0.1149	0.1083	0.2852	0.4657	0.3766	0.5440	0.5229	0.7173	0.8533	0.6175	0.6943	1.5473	0.7104	0.2663	0.4868	1.3880	1.5517	1.1467	2.0290
2R_3R-dihydroxybutyrate	4-Deoxyerythronic acid	0.2104	0.2104	0.2104	0.2104	0.7398	0.2104	0.2104	0.2104	1.2412	1.5030	0.2104	0.2104	9.5412	8.3015	0.2104	0.2104	0.2104	0.2104	0.2104	0.2104	0.2104	0.9672	0.2104	0.2104	0.2104	1.0209	0.2104	0.2104	0.2104	0.2104	0.2104	0.2104	0.3991	1.2541	1	0.7635	0.6326	0.2104	0.2104	0.2104	0.2104	0.2104	0.6418	0.4854	0.9596	1.3491	1.2239	1.7182
2S_3R-dihydroxybutyrate	4-Deoxythreonic acid	0.1955	0.1955	0.1955	0.1955	0.1955	0.1955	0.1955	0.1955	0.9613	1.0141	0.1955	0.1955	3.3224	1.5721	0.1955	0.1955	0.1955	0.1955	0.1955	0.1955	0.1955	1.2413	0.1955	0.1955	0.1955	1.5004	0.1955	0.1955	0.1955	0.1955	0.1955	0.1955	0.1955	0.9143	0.2594	0.1955	0.1955	0.1955	0.1955	0.1955	0.1955	0.1955	0.1955	0.3489	0.9626	0.9859	1.0854	1.2939
2-stearoyl-GPE (18:0)*	LPE 0:0/18:0	0.7619	0.8308	0.5349	0.5246	0.9595	1.2052	1.3218	3.1257	0.9856	1.1672	1.0144	0.4245	1.6446	1.2218	2.0537	1.4823	0.4523	1.7899	1.2390	1.8801	0.8615	1.1669	0.7048	2.6153	0.6837	1.1090	0.7788	1.0977	0.4048	3.4016	0.5879	3.4884	0.5500	1.2153	1.1097	0.5377	0.2061	0.1504	0.3114	0.0723	0.4413	0.3623	0.4047	0.4625	2.6753	3.3218	1.5272	4.9800
3-(4-hydroxyphenyl)lactate (HPLA)	4-Hydroxyphenyllactic acid	1.1223	0.2340	0.4305	0.4213	0.8683	0.5673	0.7126	0.4472	0.6620	0.6886	0.5124	0.1618	10.7867	10.4385	2.8153	0.2497	0.8846	1.0827	0.1478	0.6430	0.8985	1.1097	0.2517	0.9173	0.7115	0.8165	0.2013	2.3846	0.2259	0.4634	0.4898	1.3996	2.4039	2.7156	2.9143	3.1526	5.1557	4.7528	2.9465	3.6741	5.8557	6.4376	4.4981	5.2105	21.8033	26.9454	22.4634	35.7585
3-amino-2-piperidone	3-Amino-2-piperidone	10.9486	0.6049	1.2128	0.7714	13.3109	8.8290	15.0973	0.7672	0.8103	0.6514	0.4411	0.5560	1.2891	1.7734	1.9027	0.6073	1.0418	1.2413	1.3509	1.9282	1.0004	0.9647	1	1.3519	0.5882	0.7894	1.5389	2.8864	0.2957	1.7067	1.2711	2.3755	0.6953	1.1343	0.7862	1.1134	0.6548	0.3334	0.4564	0.5596	0.2957	0.4663	0.5240	0.2957	0.2957	0.9327	0.5520	1.1552
3^-AMP	3'-AMP	1.2742	1.0299	1.3447	2.1830	1.7509	1.3354	1.8602	0.7039	0.2345	0.4843	0.5881	1.0077	0.2433	0.2160	0.9923	1.2046	0.4846	0.6445	2.4443	3.0069	0.9172	1.2264	0.7630	1.2692	0.5626	0.6682	0.3666	0.6606	0.8039	0.4505	0.5274	0.7078	0.9043	1.1144	0.8915	1.2130	4.6065	2.0846	0.9289	1.8059	6.3114	0.4983	0.7375	2.4623	1.4831	1.9669	1.2871	1.1212
3-formylindole	1H-Indole-3-carboxaldehyde	0.4351	0.8952	0.7155	0.9912	0.5320	0.4156	0.8050	1.1176	1.3742	0.9728	0.6799	0.6345	3.4995	3.3612	2.7901	0.9207	1.3089	1.5391	0.5136	0.7414	2.1479	2.8288	1.7698	3.6423	1.8229	1.7525	1.3279	2.3372	0.5108	0.8584	0.5591	1.0088	1.9769	2.1106	1.6729	1.5162	0.3476	0.2251	0.3830	0.4629	0.7918	0.8850	0.5415	0.4485	1.3204	1.2718	1.5787	1.1079
3-hydroxy-3-methylglutarate	3-Hydroxymethylglutaric acid	4.7996	0.9645	2.3697	1.9675	3.0645	2.5197	4.1299	2.4476	3.9076	3.8275	2.9382	0.8876	25.9493	24.1115	1.4523	0.2435	1.2921	0.7746	0.3584	0.5290	0.3007	0.3578	0.4594	1.6594	1.4667	1.4162	0.3078	0.6705	0.5667	1.0355	0.9055	1.7056	0.5477	0.5475	0.8731	0.7761	0.4744	0.3460	0.3606	0.3314	1.1027	0.8358	0.5307	0.5333	6.8760	7.0373	6.9885	11.9814
3-hydroxyisobutyrate	3-Hydroxyisobutyric acid	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	1.9575	2.0430	1.2080	0.4461	0.4461	0.5602	0.4461	0.4461	1.0345	0.9157	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	0.4518	0.9655	0.9238	0.9340	0.9146	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	0.4461	1.8886	1.8470	1.9239	2.8452
3-hydroxylaurate	3-Hydroxydodecanoic acid	2.8793	0.4998	1.3221	1.0017	2.3622	1.6832	1.7563	1.5586	1.2286	1.9019	1.3885	0.6365	12.8556	10.0601	1.2206	0.4128	0.7535	0.5205	0.8134	0.4600	0.7018	0.6479	0.4798	0.7639	0.5765	0.5248	0.4634	0.7487	0.4972	0.6547	0.8246	1.0677	0.7054	0.3414	0.5432	0.5402	2.0420	1.8456	2.5204	1.9843	2.6739	2.3138	2.8864	2.0260	0.9983	0.9145	1.0654	1.5527
3-hydroxyoleate*		5.0477	2.9700	1.8131	2.1357	11.9472	4.7527	17.5909	6.5074	1.4985	1.0325	1.0920	1.1226	2.8297	4.6166	0.4434	1.4190	0.3626	1.0820	0.3616	0.5813	0.3519	0.4456	0.4605	4.6887	0.6339	1.0045	0.3018	0.6084	0.3046	2.1541	0.6183	4.0258	0.4296	1.2465	0.8935	1.1477	0.6829	0.5668	0.4115	0.6563	0.5315	1.4830	0.7320	0.3823	0.8135	0.9955	0.4335	1.8787
3-hydroxyoleoylcarnitine	CAR 18:1(9Z);3OH	1.1327	0.2778	0.2778	0.2778	1	0.8896	0.8433	0.2778	0.2778	0.2778	0.2778	0.2778	25.6106	19.8714	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	1.2556	0.9601	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778	0.2778
3-hydroxypalmitoylcarnitine	CAR 16:0;3OH	1.1874	0.5540	0.5540	0.5540	1.1684	0.6675	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	21.3103	15.8155	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.7312	0.5540	0.5540	0.5540	0.5540	1.0853	1	0.8178	0.6146	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540	0.5540
3-methyl-2-oxobutyrate	Ketoisovaleric acid	1.1094	3.1087	0.7373	0.5419	1.2030	0.6545	1.5939	0.5816	1.3551	1.0114	0.3607	1.5018	1.7552	1.7033	2.3287	0.4060	0.5760	0.9627	0.3607	0.3607	0.8223	0.7909	0.6592	0.9154	1	0.5183	0.3607	1.3456	0.3607	0.4159	0.3607	0.4592	1.1767	0.7863	0.7759	0.5641	0.7211	0.4299	1.4314	0.7963	2.3725	2.0843	1.7458	1.3805	6.9914	4.3678	7.5674	2.2432
3-methyl-2-oxovalerate	3-Methyl-2-oxovaleric acid	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	0.4983	1.5702	1	1.9638	0.8402
3-methylcytidine	3-Methylcytidine	1.5969	0.4773	0.7746	0.7572	1.9636	0.9383	1.7101	1.0617	1.7725	1.7033	0.7813	0.4536	3.7235	2.1496	0.4536	0.4536	0.4536	0.4536	0.4536	0.4536	0.4536	0.6591	0.4536	1.0747	0.4536	0.4536	0.4536	0.4536	0.4536	0.4536	0.4536	0.5356	0.4536	0.4536	0.4536	0.4536	0.4536	0.4536	0.4536	0.4536	0.4536	1.4251	0.4536	0.4536	0.7221	0.4536	0.4715	0.4536
3-methylglutaconate	3E-Methylglutaconic acid	1.4898	0.4177	0.7249	0.6460	1.0604	0.7559	1.3684	0.7708	1.2022	1.3278	0.9396	0.4177	7.5391	7.3996	0.4823	0.4177	0.4177	0.4177	0.4177	0.4177	0.4177	0.4177	0.4177	0.5332	0.5474	0.4662	0.4177	0.4177	0.4177	0.4177	0.4177	0.6365	0.4177	0.4177	0.4177	0.4177	0.4177	0.4177	0.4177	0.4177	0.4177	0.4177	0.4177	0.4177	2.2967	1.9765	2.2967	3.3502
3-methylhistidine	3-Methylhistidine	3.2897	0.4844	2.1107	0.8156	3.6807	1	1.2281	0.9901	1.5511	1.4622	1.3207	0.2712	7.0739	30.0319	0.8806	0.1869	0.1869	0.6980	0.1869	0.1869	0.1869	0.4280	0.1869	0.5899	0.2848	0.1869	0.1869	0.2400	0.1869	0.3275	0.1869	0.7766	1.0985	0.6284	0.7001	0.5905	0.5970	0.6149	1.2719	1.5962	2.5709	2.9611	2.2400	2.7108	1.3605	1.2570	0.8801	1.5923
3-phosphoglycerate	3-Phosphoglyceric acid	6.4652	4.5065	3.3969	3.1325	5.4247	3.1601	5.7686	5.7700	8.2415	5.7994	4.1939	2.9981	0.0153	0.0204	0.7024	0.0860	0.2384	0.3379	0.0249	0.0805	0.7221	0.8160	0.3170	2.2933	0.2954	0.3111	0.0312	0.1616	0.1903	0.1809	0.2165	0.6011	0.8357	0.8865	0.9938	1.0062	1.3973	1.3058	1.0286	1.2282	2.1521	2.2077	0.6566	0.8388	2.7212	2.7424	2.7972	4.8208
3-sulfo-L-alanine	Cysteic acid	0.8098	0.7472	2.3077	2.3417	0.7918	0.6002	0.7008	2.0962	1.8318	2.7308	2.5354	0.2981	2.6034	2.3052	1.1167	0.2981	0.2981	0.2981	0.2981	0.7506	0.2981	0.4614	0.4673	1.7937	0.2981	0.2981	0.4131	0.2981	0.2981	0.2981	0.2981	0.4367	0.2981	0.2981	0.2981	0.2981	0.2981	0.8827	0.5186	0.9927	0.6995	1.4941	0.8043	1.0073	1.4771	2.5380	1.1300	2.2143
3-ureidopropionate	Ureidopropionic acid	0.1669	0.8319	1.3741	1.4114	0.2697	0.1197	0.2110	0.8131	1.3336	1	1.1104	0.5051	5.0699	6.0054	1.9485	0.7933	1.5064	1.3387	0.4072	0.6766	2.1834	2.8757	0.3617	0.2673	0.6543	0.6932	0.1948	1.8064	0.1197	1.5594	1.0048	1.2064	1.7206	1.7564	0.9899	0.8797	0.1197	0.2113	0.1511	0.1854	1.1077	1.2106	1.0047	1.0789	0.1197	0.1197	0.1197	0.1872
4-acetamidobutanoate	4-Acetamidobutanoic acid	1.4585	0.9476	1	1.0499	1.7904	1.1477	1.0125	0.9906	1.2042	1.2926	1.3384	0.4201	7.6070	6.5029	0.6817	0.4201	1.0604	0.7897	0.4936	0.6881	0.6129	0.7902	0.4404	0.5354	0.6515	0.6249	0.4892	0.5676	0.6481	1.0721	0.4461	0.8404	0.8737	1.5845	0.8450	1.6314	0.7758	0.7133	0.8462	1.1564	1.1208	1.2021	1.0382	1.4535	1.4575	1.3071	1.2369	1.9935
4-cholesten-3-one	Cholestenone	1.2023	0.7662	0.7923	0.9812	1.0417	0.8081	1.0587	1.0736	1.2663	0.8756	0.8820	0.5896	2.0749	1.9212	1.8342	0.8373	1.6858	4.2023	0.5290	0.6874	2.3109	2.5090	1.4363	1.6028	2.8788	2.6712	0.6608	1.9869	1.1684	1.0188	0.7092	0.9160	4.7936	4.2968	4.3737	4.2555	0.3197	0.4013	0.2860	0.3150	0.2972	0.4458	0.2860	0.2860	0.5401	0.5681	0.5205	0.6156
4-guanidinobutanoate	4-Guanidinobutanoic acid	2.1795	0.6993	0.3042	0.6613	2.0714	1.6028	1.8479	0.7156	0.6753	0.1965	0.4600	0.4031	11.8529	13.5755	2.9261	1.9639	0.6464	1.1395	0.1965	0.7746	0.7713	0.9386	0.3824	1.7374	0.9348	1.0499	4.2307	5.2932	0.8726	2.4653	2.0982	3.0921	1.0840	1	1.3063	1.4649	0.7321	0.6248	0.5845	0.6187	0.4058	0.6039	0.4243	0.2257	4.0305	3.8407	4.2195	3.3357
4-hydroxyglutamate	Erythro-4-hydroxy-glutamic acid	2.8842	0.2873	0.6332	0.2873	2.7239	1.8655	1.2900	0.5310	1	1.0891	0.6351	0.2873	5.3975	5.2828	0.7863	0.5708	0.2873	0.6220	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873	0.2873
4-hydroxy-nonenal-glutathione		0.7828	0.5674	1.0606	1.3799	1.0883	0.8749	1.5549	1.0964	1.1890	0.9502	1.1170	0.3538	3.1397	4.0912	0.6243	0.3538	0.3611	0.3538	0.3538	0.3538	0.3538	0.3538	0.3538	0.3538	0.8893	1.0498	0.3538	0.3538	0.3669	0.3538	0.3538	0.6174	0.4078	0.4919	1.0844	1.1456	0.3538	0.3538	0.3538	0.3538	0.3538	0.3538	0.3538	0.3538	0.3538	0.3538	0.3538	0.3538
4-hydroxyphenylpyruvate	4-Hydroxyphenylpyruvic acid	0.0795	0.1615	0.2024	0.1611	0.0633	0.0615	0.0756	0.2666	0.2340	0.2509	0.1950	0.1017	7.5704	5.5337	6.2310	0.8351	2.3752	2.6786	0.4493	0.4141	2.7626	3.5172	1.6459	1.8093	4.0209	3.7604	2.4118	6.5412	0.4507	0.9230	0.7832	1.8410	1.7822	1.5390	1.4381	0.9806	0.6500	0.4770	1.0194	0.6717	1.3810	1.3171	0.7425	0.6267	25.6558	21.3691	30.3852	12.8325
4-imidazoleacetate	Imidazoleacetic acid	1.2120	1.2681	0.7318	1.3863	1.5677	0.7310	1.0005	1.0504	1.0436	0.8980	1.1609	0.8540	2.4056	3.5599	1.2107	0.8084	0.3102	0.7905	0.3102	0.9533	0.8667	0.9326	0.3102	1.4946	0.7872	0.3102	0.8697	1.1802	0.3711	0.7940	0.7294	1.2454	0.6524	0.3381	0.5779	1	0.9709	0.8459	1.0474	0.9131	0.9047	1.2924	1.1283	1.0233	2.6292	2.3633	1.9474	2.6470
4-methyl-2-oxopentanoate	Ketoleucine	0.2769	1.9720	0.2769	0.2769	0.8566	0.2769	0.9987	0.2769	1.0013	0.2769	0.2769	0.2769	0.2769	0.8486	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	0.2939	0.2769	0.6626	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	0.2769	1.2213	1.0288	0.8688	0.5316	2.6643	2.1351	4.1438	1.8125
5-aminovalerate	5-Aminopentanoic acid	0.1639	0.1639	0.4056	1.3662	0.1639	0.1639	0.1639	0.1639	1.9510	1.2889	0.7759	0.1639	4.3551	6.1695	0.1639	0.1639	0.1639	0.1639	0.1639	0.1639	0.1639	0.1639	0.1639	2.2874	0.1639	0.1639	0.1639	0.1639	0.1639	0.7642	0.1639	0.1639	0.6245	0.7951	0.4705	0.1639	0.5905	0.6501	0.1639	1.4996	0.5725	1.0182	0.9818	0.5907	4.4986	4.6479	3.2987	6.7532
5-(galactosylhydroxy)-L-lysine	5-(Galactosylhydroxy)-lysine	0.7654	0.9512	0.9080	0.9956	0.8629	0.6252	0.7090	0.8746	0.9110	0.8184	0.8259	0.8671	3.7618	3.9377	6.3687	1.9090	4.1235	2.1865	3.0616	3.1698	1.0044	1.1098	4.9740	10.0228	1.9940	1.9663	1.4954	1.7605	3.3525	3.2391	2.3536	3.8426	2.5286	2.5120	2.8875	2.9149	0.9858	0.9888	0.9246	0.8858	0.3559	0.3761	0.3037	0.2959	0.4936	0.4761	0.4302	0.4060
5^- GMP	GMP	0.4695	0.6018	1.6962	3.2100	0.3298	0.5122	0.3736	1.4991	0.7420	2.2383	6.4658	0.7206	14.3291	42.1656	0.3104	1.1818	0.1668	0.1714	2.6352	3.3542	0.7012	0.5869	0.4786	1.0359	0.4558	0.4451	0.1210	0.2416	0.4197	0.1288	0.2739	0.2847	0.9641	1.1751	0.8366	1.1237	8.5494	6.0668	3.7925	5.8607	5.4394	0.7451	4.6702	7.7922	5.0499	6.5291	4.4330	10.0060
5-hydroxylysine	5-Hydroxylysine	0.1102	0.7852	0.1429	0.1102	0.1102	0.1102	0.1102	0.1102	0.1102	0.1102	0.1102	0.4807	1.3632	1.1239	2.4913	0.8385	1.6818	0.9802	1.0789	1.3887	1.0115	1.1979	1.0893	2.5013	1.6437	1.2624	0.7899	1	0.6678	1.5421	1.0887	1.5569	0.9428	0.5955	0.7158	0.6586	0.1102	0.1102	0.1102	0.1102	0.1102	0.1102	0.1102	0.1102	0.4470	0.3910	0.4478	0.1102
5-methylthioadenosine (MTA)	5'-Methylthioadenosine	1.1389	0.8115	3.8052	3.8081	1.2159	0.6942	0.9973	1.4303	2.9377	2.7017	2.9054	0.8634	24.2249	26.6249	1.0027	1.4690	0.8669	0.7456	0.6147	0.5932	0.5004	0.6070	0.7437	2.0449	0.8844	1.0639	0.7595	1.0797	0.6847	0.5938	0.3636	0.6379	0.9413	0.9951	0.9810	1.3434	0.4087	0.5009	0.9422	1.0257	5.0897	9.8151	3.4435	4.9210	1.1753	1.4596	0.9406	4.4306
5-methyluridine (ribothymidine)	Ribothymidine	0.5503	0.5503	0.5503	0.5503	0.6104	0.5503	0.5503	0.8904	1.8829	1.1238	0.7218	0.5503	1.4789	1.1902	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503	0.7842	1.1096	0.5503	0.5503	0.5503	0.5503	0.5503	0.5503
5-oxoproline	Pyroglutamic acid	1.5454	0.5405	0.9904	0.7792	1.3461	1.0524	1.2557	0.6894	1.0096	0.7925	0.6857	0.3378	6.3539	6.3211	1.2421	0.2720	1.0678	0.7970	0.5397	0.7305	1.0514	1.3189	0.4396	0.7723	0.5970	0.6165	0.3089	0.5540	0.1562	0.7446	0.5439	1.0520	1.5538	1.5127	1.4464	1.3147	0.9283	0.7475	0.8725	0.8595	1.0332	1.0482	1.0230	1.1095	2.0062	2.2320	2.1440	3.0098
7-HOCA	7alpha-Hydroxy-3-oxo-4-cholestenoic acid	0.2563	0.2563	0.2563	0.2563	0.2563	0.2563	0.2563	0.2563	0.2563	0.2563	0.2563	0.2563	0.2563	0.2563	0.8943	0.2563	1.8542	0.6991	0.2563	0.2563	9.8418	11.6204	0.3237	0.2563	0.9728	1	0.2563	0.4392	0.2563	0.2563	0.2563	0.2563	1.3171	1.1849	0.2563	0.2563	0.2563	0.2563	0.2563	0.2563	0.5972	0.7227	0.2563	0.4408	1.4255	1.6555	1.4491	1.7738
7-hydroxycholesterol (alpha or beta)	7beta-Hydroxycholesterol	3.3855	1.5581	2.1225	2.1464	3.2258	2.3123	3.9809	1.6958	1.6134	1.4761	1.3145	0.8751	5.0610	4.8265	1.2589	0.5583	1	0.6045	0.3451	0.5506	1.2413	1.6263	1.3619	3.9113	0.6865	0.5463	0.3250	0.4174	0.3405	0.9008	0.7124	0.9802	2.9431	2.4738	2.0464	1.8459	0.3028	0.4365	0.3416	0.3280	0.7060	0.7410	0.3028	0.4214	0.7839	0.7408	0.5676	1.2180
7-methylguanine	7-Methylguanine	0.8333	0.2616	1.1209	1.1072	1	0.8331	1.0002	1.3790	2.0681	1.5699	1.2360	0.4739	3.0590	2.0672	0.8288	0.2616	0.2616	0.2616	0.2616	0.2616	0.2616	0.2616	0.2616	0.9128	0.2616	0.2616	0.2616	0.2616	0.2616	0.2616	0.2616	0.2616	0.2616	0.2616	0.2616	0.6905	0.2616	0.2616	0.2616	0.2616	1.0230	1.2727	0.5450	0.5055	0.8830	1.0146	0.8062	0.7016
acetylcarnitine (C2)	CAR 2:0	2.5617	0.2110	0.5405	0.4008	2.6231	1.6642	1.7461	0.2869	0.5371	0.4610	0.4335	0.1736	9.6011	11.4616	1.5466	0.5362	1.0561	0.7480	0.3787	0.5175	0.9426	1.1822	0.4654	0.5240	0.8017	0.8508	0.5201	0.6947	0.3707	0.8861	0.7247	1.3333	1.0112	1.0058	0.9642	0.9942	3.8298	3.2521	2.8894	3.0840	2.9553	3.2894	2.7668	2.5017	6.8646	7.0560	6.5919	5.3655
acetylphosphate	Acetylphosphate	3.2112	2.1605	2.4317	2.6295	2.9186	1.4740	2.6046	3.7393	5.0035	3.6551	2.7923	1.4134	1.6433	1.7544	1.0503	0.1450	0.5268	0.5559	0.1186	0.2612	0.5569	1.2678	0.4004	1.6343	1.1653	1.0371	0.1595	0.3038	0.3949	0.3886	0.6180	0.9622	0.6357	0.6703	0.7017	0.8778	0.8897	0.6037	0.7272	0.9629	1.3872	0.8886	0.6325	0.6044	2.0491	2.0804	1.7824	3.7057
aconitate [cis or trans]	cis-Aconitic acid	0.9428	0.4811	0.6877	0.8614	0.8103	0.7573	0.7091	0.5602	0.4137	0.5869	0.6832	0.5611	4.1536	4.5754	2.1043	0.6050	1.5976	1.2953	0.9341	0.9241	0.9916	1.0703	1.3360	2.4674	2.0102	1.8790	0.8622	0.7395	0.8542	1.2709	1.0952	1.8295	1.1762	1.1890	1.1470	1.0084	0.7887	0.6360	1.3140	1.2892	1.0936	1.1185	1.1339	0.9912	0.8480	1.0161	0.8410	2.3230
adenine	Adenine	1.3847	1.6210	1.9354	2.5557	1.7130	1.6770	2.1496	1.9735	2.4486	2.4285	2.7940	1.5707	2.7651	4.9631	0.3748	0.5377	0.7265	0.6714	0.3662	0.4904	1.0087	1.3293	0.6700	1.8288	0.9286	1.0981	0.3617	0.6517	0.6094	0.4272	0.3789	0.8043	0.8761	1.0495	0.9913	1.0417	0.6484	0.7637	0.8447	0.8497	0.9008	1.2310	1.0954	1.3223	0.9586	0.9449	0.7332	1.7052
adenosine	Adenosine	3.9826	4.5033	7.3839	16.3960	2.3772	1.3150	1.5175	3.9448	4.1569	5.7013	7.8079	4.1799	18.3549	42.3229	0.3553	0.3258	0.2514	0.2861	0.3085	0.4654	0.5758	1.3531	1.4361	3.0939	0.4562	0.4621	0.2628	0.2960	0.3581	2.0293	1.8278	2.0896	0.5309	0.5781	0.6347	0.6466	0.7040	0.5870	1.1037	1.2859	0.6946	0.8894	0.8626	1.0425	0.7066	0.9575	0.6341	1.5256
adenosine 3^_5^-cyclic monophosphate (cAMP)	3',5' cyclic AMP	0.8182	1.1634	0.9200	1.8795	1.0972	0.7403	1.5827	1.1308	1.2775	1.4308	1.2935	0.2228	2.4207	2.7879	0.6781	0.2228	0.2228	0.5578	0.2228	0.2228	0.4134	0.9844	0.2228	1.2638	0.5404	0.2228	0.2228	0.2228	0.2228	0.2228	0.2228	0.5276	0.8942	0.9528	0.2228	1.3137	0.2228	0.2228	0.2228	0.2228	1.1236	1.0156	0.2228	0.2228	0.6194	0.8782	0.6612	1.3317
adenosine 5^-diphosphoribose (ADP-ribose)	ADP-ribose	2.2626	1	2.1641	2.2049	2.0813	2.0936	2.5460	2.9349	0.6717	2.7793	2.9237	0.6685	0.2799	5.7892	0.2799	0.2799	0.2799	0.2799	0.2982	0.4710	3.4023	4.1321	0.3302	2.8140	2.3914	3.1266	0.2799	0.2799	0.9511	0.3803	0.4021	2.0354	2.1897	2.4858	3.3699	3.5989	0.7117	0.5176	0.5600	0.7343	0.3507	0.2799	0.5545	0.8916	0.7987	0.8299	0.8641	0.9654
adrenate (22:4n6)	Adrenic acid	1.1900	1.0939	0.7971	0.7806	2.4363	1.2253	3.9631	1.9912	0.2685	0.5962	0.4212	0.3327	1.1220	1.2560	0.8569	3.1066	1.0523	2.9691	2.3243	3.1794	0.5787	0.6347	0.5293	4.5605	1.0663	1.5802	2.2650	2.3511	0.2809	7.7959	1.4971	11.7278	0.4795	1.4547	0.9882	1.0011	0.9206	0.6863	0.7211	0.9705	0.8183	1.3412	0.9989	0.4019	0.5049	0.4534	0.2833	0.6159
alanine	Alanine	0.7998	1.1997	0.9182	0.9452	0.9665	0.6059	0.7268	1.0172	0.9335	1.0074	0.9508	0.8605	2.7935	2.8274	2.5521	0.7968	0.9536	1.5215	0.6042	1.0175	1.1679	1.2941	0.9999	1.6437	1.1065	0.9756	1.0001	1.2338	0.6172	1.1671	0.9881	1.3835	1.2587	1.1786	1.1800	1.0051	0.3488	0.3305	0.5229	0.4839	0.8823	0.7841	0.5363	0.5664	1.5220	1.4786	1.4777	1.1879
alanylleucine	Ala-Leu	0.0711	1.5858	0.0711	0.2808	0.2107	0.1385	0.2290	0.1725	0.1545	0.1340	0.1554	0.7195	0.0830	0.0947	0.8213	2.6909	4.3999	1.9595	10.1237	2.1280	2.3492	2.8418	6.4849	0.6619	4.7346	5.2075	1	1.1744	2.5934	2.2278	0.6959	0.2378	2.1142	2.5244	1.8957	2.0989	0.0711	0.0711	0.0711	0.0711	0.0711	0.0711	0.0711	0.1408	0.0711	0.0821	0.0711	0.0711
allantoin	Allantoin	0.4646	1.3846	2.4292	2.4624	0.7067	0.3031	0.2590	1.8132	2.3932	2.0105	2.0428	0.8552	9.2042	5.0714	1	0.1408	0.8159	0.4799	0.4759	0.2758	0.3342	0.5130	0.1408	0.4096	0.1408	0.2213	0.7106	0.2026	0.3887	0.1408	0.3315	0.7195	0.8831	0.9484	0.5000	1.2146	1.6152	1.3043	1.4682	1.1616	2.5773	1.8362	1.9164	1.9043	2.9410	3.0916	3.4020	4.1481
alpha-hydroxyisovalerate	2-Hydroxy-3-methylbutyric acid	0.1970	0.1970	0.1970	0.1970	0.1970	0.1970	0.1970	0.1970	0.1970	0.2899	0.2409	0.1970	0.4120	0.2655	0.3456	0.1970	0.5946	0.1970	0.1970	0.1970	1.0090	1.0400	0.1970	0.1970	0.1970	0.1970	0.1970	0.1970	0.1970	0.3719	0.4114	0.4252	0.6366	0.4446	0.1970	0.1970	1.3236	1.1445	0.9910	1.1783	2.1777	2.2221	2.5478	2.8522	2.1594	1.8599	1.8884	3.1181
alpha-ketoglutarate	2-Oxoglutaric acid	0.8731	1.3523	2.4882	1.5583	0.7480	0.5247	1.0566	1.3763	2.2457	2.1198	1.4942	0.9335	16.3132	12.9271	3.2697	0.4174	0.7921	0.9050	0.5037	0.6564	0.5272	0.5718	1.5925	3.4946	1.0626	1.0088	0.7229	0.8534	0.7152	0.8472	0.6944	1.3694	0.9459	0.9212	1.2672	1.0449	0.4719	0.2769	0.7080	0.5194	0.9912	1.2629	1.0428	0.7179	2.4592	1.6780	2.8223	1.7960
alpha-tocopherol	alpha-Tocopherol	0.5163	14.0445	13.9306	10.6011	0.2316	0.6079	0.2316	6.3313	7.2564	20.6114	18.8455	11.9422	0.7321	0.6111	3.2589	0.7805	0.5176	0.4416	1	0.6975	1.8384	0.8650	0.7581	0.2316	0.5415	0.5331	0.5023	0.2316	4.3452	1.2010	0.8195	1.1767	0.2316	0.2316	0.2316	0.2316	0.8450	0.8548	2.8514	2.6465	11.5698	11.1753	8.6876	9.2704	1.0563	0.8657	0.8429	0.7344
AMP	AMP	1.2072	0.6209	1.6285	2.4457	1.1949	0.9338	1.2566	1.5803	1.0705	2.3003	5.4084	0.5986	16.6304	53.5440	0.9779	0.6426	0.5005	0.6144	1.2208	0.3631	0.9451	1.0221	0.6812	0.5712	0.6140	0.6523	0.3457	0.5451	0.4249	0.3985	0.3356	0.4917	0.7063	0.7750	0.3350	0.8255	10.8797	9.6819	5.5424	9.3589	3.0904	0.9058	9.2601	12.9865	4.8052	6.4772	4.4509	9.6539
arabitol/xylitol	Arabitol	0.9745	0.1988	1.2696	0.8880	0.4936	0.3933	0.5691	1.0057	1.3047	1.5045	0.7527	0.1988	0.1988	0.1988	0.1988	0.1988	0.2525	0.1988	0.1988	0.2076	0.1988	1.3043	0.1988	1.1023	0.1988	1.4282	0.6088	0.1988	0.1988	0.1988	0.3705	0.7446	0.1988	0.1988	0.1988	1.0766	1.5410	0.1988	0.1988	0.7568	2.8020	2.9093	0.9034	0.9943	1.4806	1.3063	1.4417	1.4383
arabonate/xylonate	Arabinonic acid/Xylonic acid	1.0791	1.0659	0.4619	0.4619	0.7314	0.4964	0.4619	1.0343	0.4619	0.7388	0.6820	0.6203	3.5173	3.7598	1.5532	0.4619	0.8433	0.8465	0.6508	1.0552	1.2521	1.3588	0.8814	1.4706	1.2018	1.2687	0.7789	1.2445	0.4694	1.1319	1.0557	0.9925	1.0994	1.1443	1.2060	1.2251	1.1610	1.0075	0.8712	0.5372	0.7875	0.7084	0.6663	0.4619	0.9785	0.4619	0.8742	0.8384
arachidate (20:0)	Arachidic acid	1.0279	0.8770	0.7753	0.7295	1.9051	1.3449	2.4286	2.2493	0.7103	0.7069	0.6673	0.6372	1.2005	1.3145	0.6838	1.8621	0.4995	1.2812	0.7836	1.0862	0.7624	0.8394	0.5898	3.3104	0.7694	1.3348	0.9746	0.8579	0.5906	3.4816	0.9875	4.2155	0.4078	1.2258	1.0043	1.3508	1.0829	0.9425	0.7633	1.4070	0.9957	2.0555	2.0959	0.9814	1.0630	1.0637	0.5845	1.0169
arachidonate (20:4n6)	Arachidonic acid	2.3552	0.9095	0.6928	0.6088	4.9925	2.4473	6.7815	3.2505	0.3326	0.6239	0.6316	0.3819	0.8610	0.8441	1.4758	7.3235	1.0643	4.0482	2.8524	4.9062	0.8518	0.9472	0.7042	10.0851	1.1308	2.0994	5.6229	2.8038	0.4605	9.9843	2.1005	13.9086	0.4639	1.7874	1.1529	1.0528	0.7427	0.4810	0.4034	0.7514	0.9466	1.7465	1.3472	0.6477	0.7891	0.8586	0.4302	0.8262
arachidonoylcarnitine (C20:4)	CAR 20:4	1.3555	0.3303	0.3303	0.3303	2.0852	0.8728	1.7934	0.3303	0.3303	0.3303	0.3303	0.3303	9.6085	15.6093	0.3303	0.3303	0.3303	0.3303	0.3303	0.3303	0.3303	0.3303	0.3303	0.4206	0.3303	0.3303	0.3303	0.3303	0.3303	0.3303	0.3303	0.8926	0.4639	0.8722	1	1.6428	3.4048	2.6051	0.3303	0.3303	0.4357	0.7377	0.3303	0.3303	0.3303	0.3303	0.3303	0.3303
arachidoylcarnitine (C20)*	CAR 20:0	3.3967	0.7812	0.5554	0.7675	3.7070	2.2554	2.7399	0.7561	0.9056	0.5554	0.5554	0.5554	3.9365	3.8991	0.5554	0.5554	0.5554	0.5554	0.8168	1	0.6577	0.7765	1.4010	5.4900	0.5554	0.5554	0.8680	0.5554	0.5554	1.2449	0.8319	2.1880	0.5554	0.5554	0.5554	0.5554	2.5353	2.2352	1.8963	2.0323	0.5554	0.8513	0.6601	0.5554	0.5554	0.6862	0.5554	0.9070
argininate*	Argininic acid	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	0.1375	1.0671	1	0.3863	0.3453	0.1375	0.3330	0.1375	0.3036	4.3082	4.8304	3.6260	1.9472
arginine	Arginine	0.5584	1.3006	0.7096	0.7270	0.6940	0.4610	0.5927	0.7144	0.6899	0.6623	0.6034	1.0066	1.4786	1.4175	2.2912	0.9019	1.1633	1.5559	0.6352	0.9291	1.3125	1.4565	1.2872	1.6580	1.3208	1.2368	0.9934	1.2551	0.8283	1.4066	1.3162	1.4565	1.4269	1.3199	1.3796	1.2753	0.1931	0.1855	0.2647	0.2643	0.6921	0.5682	0.3536	0.3731	1.2272	1.1769	1.1939	0.7987
argininosuccinate	Argininosuccinic acid	0.4502	1.5256	1.7627	1.7838	0.4468	0.3035	0.4229	1.6192	2.1433	2.2659	1.4200	0.7589	21.8456	17.8305	3.9004	0.5437	0.6294	1.2226	0.9550	0.9546	0.7740	0.9005	0.7697	1.7053	1	1.0642	0.5825	1.3430	0.2650	1.0517	0.6837	1.5283	1.0536	1.0970	1.0880	0.9749	0.1344	0.1344	0.1344	0.1561	0.3486	0.3406	0.1344	0.1899	1.0117	1.0519	0.9772	1.3309
asparagine	Asparagine	0.7726	1.2267	1.0200	1.1322	0.8645	0.6528	0.7194	1.9072	1.3845	1.7242	1.5583	0.9200	2.6296	2.4007	2.5606	0.5381	0.7013	1.2046	0.5967	1.0066	0.9804	1.0843	0.9934	2.0140	0.9477	0.8872	0.7118	0.9451	0.5416	0.8182	0.8246	1.3824	1.0695	1.0360	1.0760	0.9437	0.3661	0.3435	0.5376	0.5796	1.8384	1.3535	0.6226	0.9081	2.2803	2.3526	2.2339	1.6662
aspartate	Aspartic acid	1.4849	1.3545	2.8767	2.2780	1.4724	1.2641	1.9328	1.9089	2.4575	2.3564	1.8175	0.9966	12.1200	11.3877	2.0752	0.3117	0.6661	1.0063	0.6086	0.8476	0.8497	1.0034	0.8047	1.7409	0.6910	0.7093	0.6443	1.0821	0.4823	0.5648	0.4758	0.9405	0.7404	0.7521	0.7735	0.7648	0.5138	0.4313	0.5826	0.7179	1.0909	1.1896	0.4643	0.6250	1.3185	1.3471	1.3043	1.9890
behenoyl dihydrosphingomyelin (d18:0/22:0)*	SM 18:0;O2/22:0	3.8564	0.8506	1.7229	1.8527	4.2670	1.7687	4.4073	1.2066	1.1523	1.5265	1.3812	0.4216	1.7731	1.4073	1.9030	0.1714	0.4607	0.9804	0.7592	0.8301	0.7305	0.8217	1.4873	4.0450	0.6310	0.6323	0.8091	1.0170	0.2383	0.4869	0.2450	0.6586	1.9005	2.0189	1.8150	1.5075	0.3521	0.2954	1.0803	0.8365	2.8351	2.8317	0.9313	0.9852	0.8426	0.9157	0.7717	1.0148
behenoyl sphingomyelin (d18:1/22:0)*	SM 18:1;O2/22:0	2.0667	0.7684	0.7676	0.8659	2.1208	1.2248	1.8682	0.9492	1.2257	0.9838	1.1999	0.4738	1.1810	1.2704	1.4167	0.4126	0.6730	1.0162	0.7202	0.7481	1.3105	1.1761	1.2228	1.4773	0.8153	0.6960	0.7518	0.9006	0.4119	0.5973	0.3702	0.6227	1.6246	1.6514	1.5549	1.1662	0.3739	0.3101	0.5150	0.5038	1.2487	1.1562	0.7285	0.8373	1.4381	1.5431	1.3548	1.6092
beta-alanine	beta-Alanine	1.3950	0.7705	1.0497	1.3566	1.9670	0.8768	1.1912	0.8416	1.8207	1.4732	1.0025	0.5144	8.7802	8.4219	0.5076	0.1802	0.8423	0.8471	0.5306	0.4220	0.7243	1.4458	0.1859	0.6127	0.4599	0.9197	0.9975	0.6046	0.2332	0.5434	0.4878	1.0694	0.9224	0.5448	0.9250	0.6603	5.7650	4.9386	4.4016	4.1567	2.9218	3.1643	2.5830	2.7653	12.7461	13.5089	11.9628	16.5356
beta-citrylglutamate	Beta-Citryl-glutamic acid	0.4253	0.3343	0.7490	0.7001	0.3750	0.2848	0.4515	0.8546	1.0717	1.2291	1.0319	0.2744	6.5410	5.8310	3.7711	0.9486	1.3456	1.9329	1.0433	1.3098	0.2427	0.3304	0.9587	1.2982	1.1335	1.2182	1.3079	2.2328	0.9681	0.7344	0.6786	1.3973	1.4520	1.5909	1.1227	1.1053	0.2033	0.2143	0.2639	0.3261	0.3505	0.4332	0.1971	0.2746	1.5295	1.7623	1.5256	2.3121
beta-guanidinopropanoate	3-Guanidinopropanoic acid	0.6926	0.2516	1.2246	0.9312	0.5427	0.3376	0.2516	0.7367	1.2834	1.3828	0.6831	0.2516	6.5369	5.8834	0.2516	0.2516	0.2516	0.2516	0.2516	0.2516	0.2516	0.2516	0.2516	0.2516	0.2516	0.2516	0.2516	0.2516	0.2516	0.2516	0.2516	0.3897	0.2516	0.3352	0.4551	0.3603	2.0486	1.0774	1.0885	0.9589	0.8838	1.4437	0.6226	1.0411	2.6191	3.5491	3.1790	5.9047
beta-hydroxyisovalerate	3-Hydroxyisovaleric acid	0.6852	1.4024	1.1337	2.0999	0.7296	0.9156	1.2329	0.9645	1.0008	0.9777	1.1668	0.8126	5.6500	4.8172	3.6183	0.7948	0.8733	1.2884	0.9845	1.2092	1.2526	0.9919	0.7006	1.1116	0.9992	0.9425	0.8093	1.1968	0.6763	0.8178	0.6209	1.0500	2.3342	2.1531	1.8191	1.6875	0.5286	0.5333	0.5679	0.6095	1.1568	0.9551	0.7549	0.8969	2.1608	2.1038	2.1851	2.5442
beta-hydroxyisovaleroylcarnitine	CAR 4:0;OH,Me	0.8939	0.2365	0.2839	0.4490	0.4473	0.2920	0.6122	0.2365	0.2827	1.2415	0.6787	0.2819	15.6909	16.3680	3.6448	1.7551	1.0691	1.4694	1.0499	1.0124	0.9983	1.0736	0.8486	0.8649	1.6795	1.6680	1.2801	1.9753	0.2365	1.4149	1	1.5799	1.1478	0.3958	1.0886	0.8296	0.4384	0.2443	0.2365	0.2758	0.5956	0.9934	0.3766	0.3385	4.0934	4.0430	3.9359	6.3699
betaine	Betaine	1.1630	0.4732	1.1911	0.9835	1.1982	0.8074	0.7821	0.8240	1.1992	1.0351	0.9230	0.3247	16.6127	16.6589	1.9167	0.1988	0.9145	0.9096	0.4350	0.6399	1.0833	1.0165	0.6880	0.5820	0.9181	0.9030	0.2853	0.9622	0.3305	0.5211	0.3595	0.6982	0.9335	0.9454	1.4106	1.0586	6.8601	5.2182	5.2462	5.4177	16.3456	17.9156	11.5070	10.5909	8.0191	8.8688	8.1369	11.2727
bilirubin	Bilirubin	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.9278	0.5597	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	0.2046	2.2286	2.2445	0.8085	1	2.0841	1.7428	2.0166	0.9222
butyrylcarnitine (C4)	CAR 4:0	1.8253	0.3786	1.3212	0.9505	1.1168	0.8613	1.4787	1.0495	1.3879	1.6408	1.7250	0.0518	18.5855	22.4797	0.2372	0.0518	0.0861	0.0518	0.0656	0.0518	0.0860	0.0534	0.4435	0.0518	0.0518	0.0518	0.0518	0.0518	0.2094	0.3080	0.2768	1.0593	0.3351	0.1354	0.5349	0.5245	2.3945	1.5603	2.3843	2.2832	24.2813	25.1141	15.6777	17.8284	0.5767	0.4655	0.5727	1.5137
carnitine	Carnitine	1.2814	0.3958	1.3413	0.9783	1.3269	0.9655	1.0341	0.9523	1.1389	1.3096	0.9453	0.3234	5.1609	5.0020	1.1830	0.4867	0.9904	1.0241	0.3394	0.5875	0.8329	0.9169	0.5935	0.6291	1.4520	1.4832	0.4552	1.3915	0.4081	1.2189	1.0096	1.7536	0.6162	0.6532	0.8306	0.8336	1.1636	1.1337	0.8237	1.1471	0.7728	0.8372	0.8426	1.1030	1.2087	1.5824	1.0996	2.9247
carnosine	Carnosine	0.1994	0.1289	0.1913	0.1390	0.3048	0.2373	0.2050	0.1663	0.2017	0.1896	0.1289	0.1289	53.2999	44.8581	5.9482	2.5989	3.0603	0.7851	0.1289	1.4015	3.4762	4.4814	1.3334	1.8491	4.1393	4.9591	0.1289	3.1595	0.1289	4.0618	4.0064	6.4134	1	1.4777	2.4385	2.6385	0.5800	0.3393	0.2506	0.5651	0.3164	0.2070	0.2756	0.1917	0.9941	0.7674	1.1452	1.9100
CDP-ethanolamine	CDP-Ethanolamine	0.8962	0.5697	1	0.6872	0.5697	0.5697	0.5697	0.7126	1.4059	1.2568	0.7967	0.5697	16.3619	18.7422	0.5697	0.5697	0.5697	0.5697	0.5697	0.5697	0.5697	0.5697	0.5697	0.7725	0.5697	0.9348	0.5697	0.5697	0.5697	0.5697	0.5697	0.9790	0.5697	0.5697	0.5697	0.5697	0.5697	0.5697	0.5697	0.5697	0.5697	0.5697	0.5697	0.5697	1.3581	1.4225	1.2450	2.7858
ceramide (d16:1/24:1_ d18:1/22:1)*	Cer 40:2;O2	5.3899	0.3648	0.3417	0.4392	6.0577	3.6033	5.3685	0.4600	0.5135	0.4646	0.4818	0.2586	1.7866	1.3995	1.8836	1.4550	0.8773	1.7194	1.6497	2.1004	1.2368	1.5556	1.3221	4.5674	0.8510	0.9029	1.6185	2.2454	0.5476	1.6165	1.0768	1.4863	1.0481	1.1021	0.2783	0.1753	0.9675	0.2387	0.9494	0.9482	1.0325	1.1203	0.6770	0.6178	0.3956	0.1610	0.1931	0.2716
ceramide (d18:1/14:0_ d16:1/16:0)*	Cer 36:1;O2	2.1285	0.8336	0.8207	0.7687	2.0051	2.1490	2.1188	1.0437	1.2618	1.0707	1.0036	0.8417	1.5611	1.5652	1.5018	1.2719	0.5719	1.0511	0.6939	0.7513	0.7625	0.7073	0.9964	2.3092	0.7170	0.7855	0.8360	1.3588	0.7539	0.8362	0.7757	0.9154	0.9811	1.1453	0.7990	0.7757	2.4179	2.7733	2.4266	2.5053	2.6918	2.7839	2.0211	2.2074	0.4325	0.3294	0.3911	0.2623
ceramide (d18:1/17:0_ d17:1/18:0)*	Cer 35:1;O2	5.5774	0.5593	0.5160	0.6093	6.0904	4.2589	6.1304	0.3242	0.3574	0.3220	0.2696	0.3318	1.9901	1.5081	1.5018	0.9674	0.8240	1.5999	1.7896	2.0672	2.5855	3.0847	2.2073	6.2415	1.0361	1.0730	1.6282	2.2237	0.5589	1.4198	0.9530	1.4408	1.6453	1.5413	1.2510	1.0326	0.1962	0.1798	0.2477	0.2325	0.3275	0.3619	0.2121	0.1963	0.1645	0.1978	0.1811	0.1194
ceramide (d18:2/24:1_ d18:1/24:2)*	Cer 42:3;O2	1.6730	0.4546	0.3638	0.4369	1.7348	1.0619	1.3764	0.5810	0.6230	0.5424	0.5310	0.3064	1.1898	0.9362	1.5576	0.9069	0.8030	1.3042	1.1174	1.3579	1.2372	1.4853	1.0849	3.0757	0.6983	0.7753	1.3022	1.2488	0.5324	1.2262	0.8953	1.2309	0.8782	0.9285	0.7065	0.6519	2.2160	1.8244	2.0236	2.1736	1.3081	1.5343	1.0613	0.9387	0.3228	0.3282	0.3182	0.2090
C-glycosyltryptophan	C-Glycosyltryptophan	1.8894	4.9027	4.4492	4.7337	2.3223	1.9272	2.2015	0.9998	1.0002	1.1316	0.8157	3.6734	4.1817	4.0128	1.4291	0.4083	1.2630	0.3930	0.4039	0.6121	0.5824	0.7048	1.7963	3.6168	1.9592	2.1489	0.4344	0.4634	0.9713	1.5751	1.3445	2.3752	0.7254	0.6913	0.6468	0.7486	0.2865	0.2865	0.2865	0.2865	0.2865	0.2933	0.2865	0.2865	0.3442	0.4435	0.3507	0.3121
cholesterol	Cholesterol	1.1406	0.8465	1.0593	1.0991	1.1030	0.7369	0.8528	1.3715	1.2258	1.4099	1.2501	0.6529	1.6351	1.1160	1.6642	0.4847	1.0106	0.8993	0.7747	0.7048	1.6248	1.6664	1.2661	1.4342	0.8509	0.8669	0.6996	0.7996	0.4800	1.0183	0.6731	0.7990	1.2953	0.9894	0.9053	0.7152	0.6185	0.4633	0.7233	0.6106	1.3310	1.1845	0.9679	0.8404	1.2812	1.4134	1.4662	1.1398
choline	Choline	1.9135	0.6477	0.6546	0.5827	1.9367	1.5132	1.8636	0.6964	1.1592	0.8737	0.5986	0.4482	5.6531	5.3628	2.4784	0.5729	1.0103	1.1301	0.6104	0.6978	0.9897	1.0533	0.9440	1.1736	0.6218	0.6176	0.5897	0.6517	0.4612	0.7452	0.6105	0.7228	0.8547	0.8238	0.8929	0.8431	1.6064	1.3135	1.6127	1.5500	4.1729	4.6036	3.2685	2.8497	1.5103	1.4610	1.5041	1.8701
citrate	Citric acid	0.6091	0.4351	0.4669	0.5428	0.5823	0.5652	0.5448	0.3614	0.3126	0.3803	0.4606	0.4086	4.6421	4.9228	2.0127	0.6782	1.5904	1.4899	1.1029	1.2539	0.9525	1.1061	1.3028	1.7322	1.5725	1.5903	1.1180	1.0099	0.8603	1.4914	1.0605	1.9187	0.9418	0.9901	0.9055	0.8508	0.6450	0.6307	1.4472	1.3326	1.1942	1.3872	1.5388	1.3851	0.6904	0.9328	0.7185	1.9361
citrulline	Citrulline	1.1916	1.1038	1.2058	1.0687	1.4463	0.9768	1.0057	1.1444	1.6343	1.3405	1.1686	0.9341	1.1212	1.3894	0.6047	0.3908	0.6418	0.7595	0.6034	0.4294	0.6406	0.8570	0.4880	0.7926	0.7875	0.3744	0.8557	0.4316	0.7232	0.7444	0.7453	0.5715	0.9943	0.9772	0.8159	0.8130	1.8320	1.9181	2.0032	2.4041	6.5194	4.8379	2.7341	3.0248	3.5446	3.8311	2.0961	3.7885
CMP	CMP	0.5177	1.1561	1.8653	1.7096	0.5102	0.4662	0.6509	1.5403	1.2908	2.2919	2.6068	0.7562	5.4565	8.1157	0.6969	0.2669	1.0945	0.7615	0.3278	0.4646	0.6273	0.7239	0.9899	1.7119	1.0962	1.1739	0.1784	0.5520	0.4704	1.3757	0.9298	1.4125	0.5123	0.4504	0.4978	0.6407	0.7996	0.7958	0.8453	1.0101	1.2038	1.4462	1.2292	1.3075	3.0970	3.4547	3.0347	5.2012
CoA	Coenzyme A	0.8554	1	4.0518	3.4360	0.8972	1.3389	0.8134	4.9256	5.8350	5.7906	4.1922	1.1706	6.9357	6.6374	0.2992	0.2992	0.2992	0.2992	0.2992	0.2992	0.2992	0.2992	0.2992	0.4883	0.2992	0.2992	0.2992	0.2992	0.2992	0.2992	0.2992	0.4131	0.2992	0.2992	0.2992	0.2992	0.4145	0.4237	0.4724	0.6800	1.2393	1.4210	0.6042	0.8796	0.2992	0.5050	0.2992	1.2033
CoA-glutathione*	Glutathionyl-CoA	0.6511	0.2150	1.6108	2.7664	0.6100	1	0.8743	2.0955	1.7383	2.0916	3.2523	0.1216	1.6596	1.6429	0.1216	0.1216	0.1216	0.1216	0.1216	0.1216	0.1216	0.1216	0.1216	0.1216	0.2802	0.3741	0.1216	0.1216	0.1216	0.1216	0.1216	0.1613	0.1216	0.1216	0.2233	0.2547	0.1216	0.1216	0.1216	0.1216	1.5421	1.4813	0.7887	1.4264	0.1216	0.1216	0.1216	0.1216
creatine	Creatine	1.4234	1.1162	2.3840	2.0493	1.4174	0.8623	1.0033	1.4973	1.9878	2.0653	1.6938	0.9616	10.8199	10.6827	0.9546	0.5198	0.7443	0.8049	0.3661	0.6644	0.6126	0.7632	0.6217	1.0455	1.5329	1.6242	0.4111	1.0766	0.8275	1.2673	0.9839	1.9983	0.9211	0.9967	1.2307	1.3397	0.6254	0.6054	0.3578	0.4404	0.2705	0.3494	0.2972	0.3409	2.5240	2.7904	2.3849	3.2189
creatine phosphate	Phosphocreatine	1.7870	1.2172	0.2268	0.1774	2.1305	0.0811	0.2820	0.7348	1.7358	0.9437	0.4418	1.3508	28.1139	27.6901	3.1273	0.8517	1.5763	1.3833	0.6662	0.9753	0.8551	0.9543	1.5023	2.2606	4.8874	4.7806	0.6157	2.3558	2.7596	3.7015	3.2671	6.9850	1.9251	1.9129	3.5186	3.1664	0.3219	0.2552	0.1705	0.2032	0.1432	0.1190	0.0811	0.1017	0.9447	0.9214	1	0.5059
creatinine	Creatinine	1.0338	0.8531	1	0.9870	1.2755	0.5200	0.7246	0.7552	1.3022	0.9766	0.8637	0.6698	12.1649	12.5643	1.6955	0.6723	0.8299	1.0390	0.5029	0.9452	0.8004	1.0389	0.8453	1.6160	1.7388	1.8079	0.6958	1.3643	1	1.6580	1.1352	2.7011	1.1942	1.3471	1.4836	1.6841	0.4919	0.4984	0.4502	0.5170	0.4834	0.6663	0.4786	0.5592	1.2250	1.3950	1.1597	1.4641
cyclic dGSH		0.5582	0.2952	4.4118	0.3306	0.2952	0.2952	0.2952	0.4354	1	1.5831	0.2952	0.2952	39.6303	23.3517	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952	0.2952
cystathionine	Cystathionine	2.4863	1.0345	2.5625	1.8164	2.2664	1	1.2925	3.7702	5.5632	5.5687	4.3292	0.9233	3.5386	3.6046	0.0903	0.0903	0.0903	0.0903	0.0903	0.0903	0.0903	0.0903	0.2225	0.5351	0.0903	0.0903	0.0903	0.0903	0.0903	0.0903	0.0903	0.2362	0.1144	0.0981	0.2218	0.1235	0.0903	0.0903	0.4609	0.3033	1.5783	1.7129	0.6639	0.8354	0.0903	0.0903	0.0903	0.2469
cysteine	Cysteine	0.6955	1.4931	1.7020	2.0331	0.7398	0.4227	0.4676	1.0323	1.0078	1.1132	0.9922	1.1140	1.7147	1.7601	1.2437	0.1725	0.2762	0.4088	0.6644	0.9195	0.4610	0.5154	1.2095	2.6714	0.5139	0.4722	0.3954	0.3993	0.2837	0.4739	0.3772	0.7157	0.3143	0.3027	0.3811	0.3250	1.3735	1.0479	1.8444	2.3712	8.7923	8.4124	6.0817	5.8465	7.0986	7.3015	6.8627	9.6698
cysteine-glutathione disulfide	S-Glutathionyl-cysteine	0.1489	0.3040	0.1217	0.2381	0.1217	0.1217	0.1649	0.1678	0.1217	0.1217	0.1217	0.2172	0.1217	0.1217	1.0498	0.1714	1.5799	0.9440	1.8562	3.0184	0.1217	0.1217	0.3781	2.2352	1.3318	1.1008	0.4783	3.7539	0.2983	1.6667	1.0400	0.6141	1.3308	1	0.4445	0.2960	0.3492	0.2787	0.3713	0.4096	11.0639	11.0807	9.9075	9.7446	1.1134	1.3989	1.2351	1.3810
cysteine sulfinic acid	3-Sulfino-alanine	0.1609	0.2903	1.2369	1.0149	0.1609	0.1609	0.2121	0.9046	1	1.2599	0.9098	0.3557	0.1609	0.1609	0.1609	0.1609	0.1609	0.1609	0.3630	0.2583	0.1609	0.1609	0.1609	0.4423	0.1609	0.1609	0.1759	0.1609	0.1609	0.1609	0.1609	0.2388	0.1609	0.1609	0.1609	0.1609	1.0509	0.5613	0.9255	1.0642	2.2092	1.6825	2.0649	1.6190	1.4186	1.3113	1.9840	2.6266
cystine	Cystine	0.0280	0.0280	0.0280	0.0280	0.0280	0.0280	0.0280	0.0280	0.0280	0.0280	0.0280	0.0280	0.0280	0.0280	0.0461	0.2895	0.0861	0.4558	1.0355	1.5640	0.6662	0.9645	1.4793	1.4265	0.0414	0.0280	0.9140	0.5223	0.0280	0.0942	0.0604	0.0280	0.0824	0.0429	0.0280	0.0280	1.3198	1.9721	1.9979	2.0001	1.4848	0.9577	1.7204	1.0693	4.8785	6.1354	5.2236	7.5721
cytidine	Cytidine	1.0360	0.3025	1.2479	1.0500	0.9671	0.2613	0.6150	0.8415	1.0909	1.7997	0.9386	0.3518	14.7494	12.1551	1.0329	0.5199	2.4827	2.9058	1.6580	2.2195	0.0616	0.0781	0.1607	0.1278	2.0660	2.2612	1.6611	1.8422	2.3594	1.9973	1.4662	2.3401	3.8900	4.1097	4.4679	4.5073	0.0370	0.0352	0.0452	0.0531	0.2476	0.2607	0.1893	0.1612	0.1065	0.1473	0.1070	0.1774
cytidine 5^-monophospho-N-acetylneuraminic acid	CMP-N-acetylneuraminic acid	0.5958	1.1156	1.8352	1.6613	0.5635	0.4479	0.6188	1.3167	1.4678	1.5318	1.4647	0.9216	3.8366	3.3571	0.8011	0.2638	1.4293	0.8133	0.4502	0.5135	0.7027	0.6760	1.2932	1.8029	1.3046	1.3013	0.1237	0.5397	0.4358	1.7350	1.1477	1.3972	0.4666	0.4852	0.6508	0.5329	0.7256	0.6014	0.6333	0.5835	1.6536	1.3083	1.0784	0.9162	2.3635	2.1701	2.5565	4.4039
cytosine	Cytosine	0.3596	2.1497	1.1144	1.9044	0.3596	0.4049	0.5274	1.1468	1.1572	1.5074	1.9688	1.5658	1.2546	1.5446	0.3596	0.3596	0.4950	0.4472	0.3596	0.3596	0.7351	1.0706	0.3596	2.0936	0.8336	0.8843	0.3596	1.6401	0.4546	0.3596	0.3596	0.6596	0.9294	1.1162	0.9095	1.1117	0.3596	0.3596	0.3596	0.3596	0.3596	0.7989	0.4848	0.5852	0.3596	0.3596	0.3596	0.3596
deoxycarnitine	3-Dehydroxycarnitine	1.1713	0.3980	1.3441	1.1013	1.1793	0.7129	0.7207	0.8091	1.2241	1.1033	0.9132	0.4078	23.7794	23.6429	0.9940	0.4191	1.0046	0.9207	0.2636	0.5247	0.6981	0.9351	0.4446	0.5534	0.9239	1.1089	0.2960	1.1709	0.2870	0.9954	0.8229	1.3388	0.7602	0.6714	0.9430	0.8823	3.1756	2.7268	2.1943	2.4512	4.4079	4.8874	3.6244	3.4860	5.9153	6.4186	5.4865	7.9110
diacetylspermidine*		0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	0.0982	5.6691	4.8926	2.1464	2.2040	1	0.9247	0.8748	0.9428	0.0982	0.0982	0.0982	0.0982
diacylglycerol (12:0/18:1_ 14:0/16:1_ 16:0/14:1) [2]*	DG 30:1	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.2910	0.7326	0.8410	0.3385	0.2910	1.1975	1.2201	1.2869	1.1590	0.2910	0.2910	0.2910	0.2910
diacylglycerol (14:0/18:1_ 16:0/16:1) [2]*	DG 32:1	0.1706	0.2758	0.1706	0.1706	0.1706	0.1706	0.1706	0.2559	0.1706	0.1706	0.1706	0.1706	0.1706	0.1842	0.1706	0.1706	0.1706	0.1706	0.1706	0.1706	0.1706	0.1706	0.1706	0.1706	0.1706	0.1706	0.1706	0.6027	0.1706	0.1706	0.3716	0.1706	0.1706	0.1706	0.1706	0.1755	2.4640	2.1710	2.3166	1.6839	6.5999	7.3782	4.5178	5.2072	1	1.3998	0.9968	0.7796
diacylglycerol (16:1/18:2 [2]_ 16:0/18:3 [1])*	DG 34:3	0.3363	0.4600	0.3363	0.3363	0.3363	0.6759	0.8497	0.3363	0.3363	0.3363	0.6518	0.3373	1.3098	1.0696	0.3363	0.3363	0.3363	0.3363	0.3363	0.3363	0.3363	0.3363	0.3363	0.3363	0.3363	0.7082	0.3363	0.3363	1.0537	0.9463	0.6429	0.7991	0.3363	0.3363	0.3363	0.5123	3.2545	3.3785	1.4450	1.8770	2.3078	2.8757	2.6333	2.7516	0.3363	0.3363	0.3363	0.3363
dihomolinoleate (20:2n6)	11Z,14Z-Eicosadienoic acid	0.4680	0.6446	0.3515	0.3435	0.9870	0.5616	1.5639	1.9793	0.4204	0.5162	0.5052	0.3326	0.9737	1.1439	2.5403	8.4153	1.3617	4.4702	2.4056	3.3972	1.1973	1.3378	1.0130	7.7389	1.7339	2.7776	1.7825	3.1954	0.5702	12.5748	2.0212	15.4292	0.8017	2.3329	1.2471	1.1829	0.6504	0.4932	0.4454	0.6938	0.7391	1.2736	0.9651	0.5677	0.7299	0.8171	0.4387	0.9319
dihomolinolenate (20:3n3 or 3n6)	Eicosatrienoic acid	0.5834	0.4810	0.3795	0.3834	1.2301	0.7155	1.3457	1.9624	0.2646	0.4437	0.4111	0.2103	0.8556	0.8572	1.6049	6.0061	0.8479	2.9586	2.4622	3.5769	0.9834	1.0393	0.8551	8.6824	1.0064	1.9506	2.4481	1.9826	0.6454	11.7068	2.1727	14.5953	0.5001	1.7707	1.4110	1.2863	0.2611	0.1916	0.1656	0.2891	0.9772	1.5903	1.1827	0.6291	0.9936	1.0926	0.5315	1.1213
dihydroxyacetone phosphate (DHAP)	Dihydroxyacetone phosphate	2.8032	4.4511	10.1822	6.7180	1.6704	0.8755	0.6597	9.1865	12.7421	12.8659	6.6282	3.1982	33.2918	28.8553	2.8667	0.3050	0.9855	0.9251	0.1284	0.4502	1.6606	1.8216	0.5346	5.0667	1.0445	1.1457	0.1586	0.5378	0.6136	0.5744	1.0145	3.6537	2.1628	2.2852	2.3106	2.3698	0.1269	0.0746	0.0763	0.1187	0.1329	0.1306	0.0260	0.0440	0.2811	0.3482	0.2942	0.9193
dimethylarginine (ADMA + SDMA)	Dimethylarginine	0.9934	2.1129	0.6670	0.5710	1.3608	0.5805	0.6856	1.3535	1.4723	1.0066	0.7137	1.4921	2.3101	1.7887	3.3546	0.4205	0.7210	1.0129	0.4239	0.7142	1.3423	1.3331	1.2830	2.7351	1.1005	0.8866	1.2047	0.9622	0.4546	1.1607	1.1666	1.8926	0.9652	0.7649	0.9215	0.6968	0.1225	0.0897	0.2461	0.2181	1.0885	0.8067	0.4245	0.3333	2.1500	1.8217	2.1923	1.1477
dimethylglycine	Dimethylglycine	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	5.6391	6.8894	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	0.5523	1.0801	0.9443	0.5523	0.8981	0.8489	1.3381	1.0557	0.9312
docosadienoate (22:2n6)	13Z,16Z-Docosadienoic acid	0.6500	0.8235	0.4635	0.5097	1.2358	0.7305	1.8627	2.1359	0.5649	0.6145	0.5633	0.4400	1.2151	1.3694	2.7413	8.1242	1.6611	4.9789	2.2451	3.2068	1.0048	1.1241	0.8655	6.4668	1.5568	2.4840	1.7432	3.4754	0.4308	10.3950	2.3761	13.1690	0.7001	1.9136	0.9394	0.9602	1.2593	0.9676	0.8068	1.2915	0.5903	0.9952	0.7392	0.4598	0.4147	0.4296	0.2166	0.4562
docosahexaenoate (DHA; 22:6n3)	DHA	2.5160	0.5072	0.4219	0.3885	5.2789	2.9505	7.6811	2.1866	0.2794	0.3710	0.3432	0.2182	1.4492	1.6268	1.5072	5.6441	1.2124	3.8030	1.9903	3.1637	0.8243	0.9153	0.7556	10.2674	1.7975	3.5240	2.4507	2.6165	0.6695	14.1250	2.3086	20.9710	0.3134	1.3058	0.7835	0.7522	0.7243	0.4568	0.3454	0.6315	0.7147	1.5114	1.0847	0.4570	0.5084	0.5484	0.2722	0.5503
docosapentaenoate (DPA; 22:5n3)	DPA	1.4753	0.4812	0.3474	0.3307	3.0937	1.4526	5.0938	1.2860	0.1977	0.2646	0.2628	0.2330	1.3232	1.4486	1.4447	6.1960	1.4136	3.8409	3.2011	4.8365	0.9477	0.9933	1.0067	14.2202	1.9319	3.5295	3.0219	2.2940	0.9303	22.0612	3.2479	32.9074	0.3000	1.0547	0.6991	0.6800	0.6738	0.4559	0.3752	0.6458	0.6237	1.1334	0.8658	0.4480	0.6215	0.6756	0.3595	0.5537
docosapentaenoate (n6 DPA; 22:5n6)	Docosapentaenoic acid (22n-6)	1.6792	1.3741	0.8984	0.9482	3.8884	1.8170	5.6420	3.8975	0.5757	0.7649	0.6829	0.5544	1.3294	1.5190	0.7385	2.0501	0.6405	2.8889	1.0518	1.3566	0.4411	0.4041	0.2340	3.3596	0.5542	1.6536	1.4518	1.8851	0.2656	3.9614	0.8947	6.5222	0.4998	1.8753	1.4196	1.2397	0.8178	0.5956	0.4874	0.9399	1.0710	1.7582	1.2583	0.5794	0.6591	0.7490	0.3380	0.7230
docosatrienoate (22:3n3)	13,16,19-Docosatrienoic acid	0.9694	0.9910	1.3703	1.2879	1.6785	1	2.3551	3.0659	0.7377	0.8463	0.7207	0.5523	2.1491	2.2375	0.1753	4.9005	0.8998	4.9990	4.2323	5.5033	0.6253	0.7346	0.9676	9.0165	1.2952	2.0299	5.0956	3.9857	0.4397	14.2911	3.1707	20.6854	0.4242	1.9114	1.5545	1.3733	0.3326	0.2039	0.2591	0.3698	0.6926	0.8884	1.0502	0.5740	0.3736	0.4396	0.1753	0.4993
docosatrienoate (22:3n6)*	10Z,13Z,16Z-Docosatrienoic acid	1.0841	1.2580	0.3891	0.3887	2.1222	1.1999	2.6623	2.1369	0.4872	0.5590	0.5391	0.6555	1.0713	1.2235	3.7193	8.7529	1.9444	6.4002	2.3299	2.8874	0.9763	1.0237	0.7164	5.9391	2.3286	3.6264	1.5241	4.4100	0.5253	9.0181	2.0820	10.0630	0.6347	1.5288	0.7270	0.6865	0.4800	0.3343	0.2681	0.4760	0.3876	0.8134	0.5561	0.3231	0.2088	0.2125	0.1021	0.2505
dodecadienoate (12:2)*	Dodecadienoic acid	0.9503	1.0496	0.8872	0.8170	1.0859	0.9504	1.4224	1.2699	1.5845	0.4929	1.0847	0.2900	1.1220	1.3907	0.4108	6.2927	0.5930	0.6829	0.2900	0.2900	0.2900	0.7955	0.2900	0.2900	0.2900	0.2900	0.2900	0.2900	0.2900	0.2900	0.2900	1.4157	1.4405	1.4626	0.2900	0.8161	0.2900	0.2900	0.2900	0.2900	0.2900	0.2900	0.2900	0.2900	0.2900	0.2900	0.2900	0.8056
eicosanoylsphingosine (d20:1)*	C20 Sphingosine	2.0135	0.3147	0.8945	0.9368	2.2722	1.2519	2.6197	0.6849	1.1073	0.7889	0.3147	0.3147	4.4211	3.6817	2.1270	0.3864	0.9104	0.9908	0.4116	0.5987	1.2838	1.3963	1.1858	4.6710	0.8193	0.8663	0.3147	0.7914	0.4816	0.8316	0.6852	1.2907	2.0389	2.0128	1.5325	1.4881	0.3147	0.3147	0.3147	0.3147	0.7343	1.0092	0.3147	0.4237	0.8648	1.0510	0.7177	1.0991
eicosapentaenoate (EPA; 20:5n3)	EPA	2.8137	0.3650	0.2981	0.3031	5.2957	3.2359	7.6096	1.4309	0.2185	0.3716	0.3159	0.1745	1.0212	1.0048	1.6833	7.1969	0.9819	2.2903	2.2806	3.3009	1.2742	1.2887	1.2308	15.4514	1.9736	3.7159	3.1877	1.7288	0.9952	11.8850	2.1180	20.0004	0.3246	0.9031	0.8126	0.7547	0.4240	0.3107	0.2716	0.4417	0.6121	1.1512	0.8526	0.4040	0.6190	0.7015	0.3571	0.5320
eicosenoate (20:1n9 or 1n11)	cis-Gondoic acid	0.4320	0.3640	0.2113	0.2311	0.8850	0.5387	1.4568	1.0646	0.2758	0.2901	0.2969	0.1855	0.8013	0.9101	1.8065	9.9444	1.3160	3.9558	3.8379	5.5680	0.6765	0.7271	0.6148	3.5925	1.2342	1.8649	2.1427	3.4603	0.3131	12.3856	2.2309	12.7735	0.4717	1.3021	0.7343	0.6699	1.1174	0.8473	0.6175	0.9354	1.1575	2.0062	1.2755	0.8114	1.1245	1.1813	0.6222	1.2356
eicosenoylcarnitine (C20:1)*	CAR 20:1	1	0.2587	0.2587	0.2587	1.2977	0.7407	1.3247	0.2587	0.2587	0.2587	0.2587	0.2587	7.0620	7.0812	0.4161	0.6842	0.3035	0.4448	1.4425	1.9205	0.2587	0.2587	0.2587	1.8076	0.2587	0.2587	1.1372	0.5319	0.2587	1.7080	1.2121	2.0365	0.2587	0.2587	0.2587	0.2587	1.3163	0.9470	0.5996	0.5262	0.3794	0.3721	0.2587	0.2587	0.2587	0.2587	0.2587	0.2587
ergothioneine	Ergothioneine	0.8835	2.3138	5.0484	3.5401	0.7292	0.3907	0.3907	1.5784	2.1048	2.4096	1.4739	1.4613	88.2302	86.2483	3.0203	0.3907	0.3907	0.3907	0.3907	0.3907	0.9607	0.5887	0.5402	0.5311	0.5033	0.3907	0.3907	0.7398	0.3907	0.3907	0.4234	1.3359	0.5877	0.5307	1.0393	0.7558	0.9327	0.6969	0.3996	0.5602	0.3907	0.3907	0.3907	0.3907	2.2495	3.5368	2.4836	3.3771
erucate (22:1n9)	cis-Erucic acid	0.6644	0.5034	0.2717	0.2761	1.4130	0.7269	1.6456	1.2778	0.3715	0.3861	0.3852	0.2667	1.0240	1.2121	1.4976	6.1666	1.1367	3.1702	2.0274	3.0367	0.5174	0.5728	0.5021	3.7266	1.0242	1.5179	1.3145	2.1540	0.2557	7.6921	1.5123	9.4911	0.4917	1.3771	0.6547	0.8324	1.2198	0.9079	0.7207	1.3012	0.9634	1.8647	1.4181	0.6689	0.9443	0.9760	0.5342	0.8309
erythritol	Erythritol	0.6481	0.3744	0.3744	0.8473	0.6152	0.3744	0.3744	0.3744	0.3744	0.3744	0.3744	0.3744	14.7754	14.3151	2.0522	0.3744	0.4932	0.3744	0.3744	0.3744	2.7412	2.3787	0.5424	1.0115	0.8953	0.9346	0.6527	0.9885	0.3744	0.6346	0.3744	0.8401	2.6547	2.4078	2.5580	2.5710	1.3879	1.2196	0.8046	0.8525	0.3744	0.5674	0.5382	0.3744	3.2594	3.4969	3.8165	4.1361
erythronate*	Erythronic acid	1.0580	0.5599	1.6883	1.2653	0.8149	0.6260	1.0053	0.9947	1.7592	1.6343	1.2788	0.3593	32.9122	30.1879	1.1556	0.2239	0.7407	0.6204	0.2855	0.4476	0.4510	0.5854	0.3415	0.8319	0.9134	0.9435	0.3144	0.4718	0.2897	0.7733	0.6647	1.2797	1.1190	1.0941	1.6308	1.5186	1.2210	0.9406	0.8298	0.8819	1.6426	1.7752	1.1390	1.1885	3.4442	3.5909	3.5499	6.0884
ethylmalonate	Ethylmalonic acid	0.5405	0.2002	0.9945	0.9259	0.4597	0.4158	0.5199	1.1608	2.0335	2.9887	1.3302	0.2002	3.0578	2.6995	1.8979	0.2002	0.3982	0.2002	0.2002	0.2002	0.4520	0.6545	0.2002	0.2002	0.2002	0.2002	0.2002	0.2002	0.2002	0.2002	0.2002	0.2002	0.4921	0.3860	0.2002	0.4366	1.0236	0.8014	1.0055	0.8437	1.4088	1.1732	0.9454	1.0057	2.9923	3.1173	3.6222	7.1790
FAD	FAD	0.8333	0.6718	0.8253	0.9461	0.9973	0.7871	1.2111	0.8557	0.7823	0.8258	0.8003	0.4072	1.3105	1.3489	1.3846	0.7002	0.8149	1.2072	0.6726	1.0315	1.1383	1.4866	0.8616	1.6298	0.8254	1.0027	0.6510	1.2357	0.4240	0.9271	0.5674	1.1234	0.8880	1.0281	0.7943	0.7651	1.0578	1.0969	0.9440	1.1271	1.6096	1.6903	1.0168	1.2532	1.6289	1.9292	1.5184	1.7835
folate	Folic acid	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.5749	0.6874	0.5749	0.6314	0.7126	1.8528	1.8491	1.2874	1.5020	0.5749	0.5749	0.5749	0.5749
fructose	Fructose	0.4693	0.7028	0.5426	0.8282	0.4492	0.3155	0.3275	0.7741	0.4838	0.6973	0.6445	0.4251	0.5076	0.2140	2.4257	0.4300	0.8715	0.9869	0.7611	0.9731	1.2832	1.3309	1.1603	1.3638	0.8226	0.8251	1.1448	2.1405	0.5135	1.3309	1.0131	1.5270	1.3141	1.2280	1.1171	0.8671	1.1153	0.9730	1.8021	2.2043	4.7353	4.2808	1.9062	2.9726	2.6275	2.6761	2.6788	3.1163
fructosyllysine	Fructosyllysine	1	0.7413	0.6650	0.8994	0.9109	0.5234	1.0502	0.5048	0.4040	0.4040	0.4040	0.6080	2.3579	1.9918	2.5168	1.3130	0.7642	1.4553	0.8251	1.5732	0.9102	0.8835	1.4483	3.2754	0.6125	1.0447	1.2181	1.6071	0.4040	1.5987	1.1323	1.7339	1.0913	0.7644	0.6766	0.5516	0.4040	0.4040	0.4040	0.4040	0.6720	1.0790	0.4040	0.4040	0.4040	0.4040	0.4040	0.4040
fumarate	Fumaric acid	2.0345	1.2591	5.1119	4.0022	1.4655	1.0046	1.4163	4.0465	4.9928	5.4367	4.0629	1.1177	15.8397	12.6594	2.2731	0.1875	0.8964	0.9548	0.4892	0.5706	0.7065	0.9661	0.6186	1.3363	1.0253	0.9519	0.3937	0.8625	0.5093	1.1099	0.7822	1.2226	0.8974	0.8481	1.0609	0.9215	0.8566	0.5933	0.6966	0.7138	1.0943	0.7752	0.4689	0.6106	1.1018	0.9954	1.1421	1.7416
gamma-glutamylcysteine	gamma-Glutamylcysteine	0.3466	1.0829	1.5462	0.7285	0.1978	0.3920	0.5358	0.9171	1.6553	1.3620	0.8007	0.8324	7.6412	9.5139	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.2146	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.2084	1.5180	2.7758	2.1296	1.7350	0.1978	0.1978	0.1978	0.1978
gamma-glutamyl-epsilon-lysine	Epsilon-(gamma-Glutamyl)-lysine	0.5655	1.3423	1.0328	1.3216	0.6386	0.5639	0.6823	0.6055	0.5666	0.5341	0.5103	0.9672	3.6227	3.6698	3.5898	1.4107	2.1222	2.7004	0.2198	0.3244	1.5785	1.8597	1.6600	1.9100	1.5932	1.6419	0.1939	1.2362	1.0827	1.5720	1.0490	1.1442	2.9218	3.0630	2.2165	2.1927	0.1970	0.1631	0.1949	0.1875	0.3873	0.4210	0.1488	0.1529	0.1655	0.1594	0.1517	0.1590
gamma-glutamylglutamate	gamma-Glutamylglutamic acid	0.1375	1.6965	2.4899	1.7012	0.3231	0.3721	0.3813	1.9673	3.0013	2.9776	1.9909	1.2715	7.3135	8.1280	0.6457	0.1375	0.5701	0.8915	0.1375	0.1375	0.4285	0.4062	0.4925	1.2825	0.3139	0.3725	0.1375	0.4712	0.1375	0.3080	0.1375	0.5544	0.9442	1.0838	1.0655	1.1480	0.9207	0.7656	1	1.3012	2.8178	3.7109	2.7829	2.8027	0.1375	0.1375	0.1375	0.2805
gamma-glutamylglutamine	gamma-Glutamylglutamine	0.0521	2.8590	1.3570	0.9500	0.0521	0.0521	0.0521	0.2884	0.4830	0.2928	0.2501	1.7223	5.2370	5.2372	2.4984	0.3612	1.1646	1.9359	0.3823	0.8709	0.1416	0.2192	0.7949	8.6254	1.5872	1.6563	0.6365	2.1515	0.3989	1.0879	0.7484	1.3042	1.0500	1.1079	1.5016	1.4886	0.0521	0.0786	0.0970	0.2003	3.8272	4.4251	2.7963	2.5320	0.1383	0.0903	0.0901	0.1817
gamma-glutamylisoleucine*	gamma-Glutamylisoleucine	1.2797	0.5239	0.8562	0.8011	0.9795	0.5239	0.9444	0.5310	0.7507	0.7520	0.5916	0.5239	12.1098	13.6719	1.4253	0.5239	1	2.1087	0.5239	0.5671	0.7763	1.2137	0.5239	0.7810	2.4328	3.0380	0.5239	1.2310	0.5239	0.6260	0.7820	1.5730	1.8377	1.6787	1.6389	1.9435	0.5239	0.5239	0.5239	0.5239	0.5239	0.5239	0.5239	0.6011	0.5239	0.5239	0.5239	3.5093
gamma-glutamylleucine	gamma-Glutamylleucine	1.0707	0.9353	0.4389	0.6750	0.8166	0.9041	1.3961	0.6559	1.0124	0.7459	0.5869	0.7376	8.0982	8.4922	1.6935	0.7297	1.7507	2.2458	1.3057	0.8741	0.9156	1.0916	1.0141	1.2582	2.1617	2.8764	0.4540	1.2974	0.8026	0.9876	0.4969	0.8932	2.6259	2.2702	2.7677	2.0627	0.3365	0.3365	0.3365	0.3365	0.3365	0.3365	0.6112	0.4136	0.3365	0.3365	0.3365	1.6661
gamma-glutamylmethionine	gamma-Glutamylmethionine	0.3569	1.2367	0.3569	0.3569	0.3569	0.3569	0.3569	0.3569	0.3569	0.3569	0.3569	0.6251	1.3381	1.1831	1.3320	0.3569	0.3569	0.4474	0.3569	0.3569	0.3941	0.3829	1	2.7506	0.3569	0.3569	0.3569	0.3569	0.3569	0.3569	0.3569	0.4929	0.7284	0.4395	0.9524	0.3569	0.3569	0.3569	0.3569	0.3569	1.5092	2.1320	1.8688	1.2499	0.3569	0.3569	0.3569	0.3569
gamma-glutamylserine	gamma-Glu-Ser	0.3057	1.3651	1.1317	0.9809	0.2522	0.8015	0.5873	1.5365	0.7006	1.2525	1.2625	0.9296	3.2388	2.2804	2.1840	0.3504	1.3838	1.0267	0.2522	0.2522	2.2945	2.3784	1.9708	3.4199	2.0203	1.8043	0.5318	0.8116	0.6992	0.6321	0.6084	1.0526	1.8252	1.5904	1.4285	1.9148	0.2522	0.2522	0.2522	0.2635	0.6343	1	0.8536	0.5137	0.4685	0.6417	0.5807	0.6150
gamma-glutamylthreonine	gamma-Glutamylthreonine	0.7851	0.7340	0.6762	0.5436	0.8726	1	2.1296	0.6260	0.8383	0.6036	0.5556	0.4945	9.6953	16.9936	1.5458	1.2939	2.5988	6.3096	0.9080	1.6440	3.4690	3.8241	0.8462	1.4984	7.6079	7.4150	0.9626	4.6031	1.7843	1.4421	0.9128	1.2208	4.9846	5.8247	4.3567	4.3589	0.3012	0.3300	0.5041	0.5101	0.3012	0.7273	0.4464	0.5302	0.9567	1.1198	0.5883	5.2109
gamma-glutamylvaline	gamma-Glutamylvaline	0.8150	0.1915	0.5400	0.1915	0.6998	0.5431	0.5653	0.1915	0.1915	0.1915	0.1915	0.1915	11.1713	10.8762	0.9204	0.4869	1.9716	3.2025	0.1915	1.4177	1.4915	1.6133	0.1915	1	3.8822	4.2999	0.1915	1.8704	0.7130	0.4837	0.7192	1.2345	1.8349	2.7375	2.3876	2.1499	0.1915	0.1915	0.1915	0.3287	0.2174	0.3168	0.1915	0.1915	0.1915	0.5484	0.5259	2.4769
gluconate	Gluconic acid	1.6125	1.3056	3.3590	2.0652	0.9769	1.0231	1.2372	1.9934	0.6942	2.4751	1.0705	0.7938	1.8194	1.4140	2.2654	0.1110	2.0045	0.9164	0.9524	0.6833	0.5139	0.4332	1.8529	1.1199	0.5288	0.2645	0.2123	1.2253	0.4608	0.8020	0.5564	0.5633	0.4554	0.1908	0.5408	0.3674	11.1901	5.9980	25.8687	14.6662	101.4615	32.7864	22.2258	41.0637	0.7677	0.6606	0.7282	0.6241
glucosamine-6-phosphate	Glucosamine 6-phosphate	0.5150	0.1065	1.0958	1.6787	0.5381	0.4039	0.4039	2.2954	0.2773	2.6381	2.2536	0.0941	10.2507	6.9405	5.2350	0.2485	0.9943	1.0068	0.1508	0.5773	1.1422	1.5440	0.7324	1.9028	0.9483	1.3472	0.2888	0.7507	0.4074	0.7273	0.8454	2.1298	1.0057	1.0577	0.8327	0.8194	0.6086	0.6893	0.8538	1.5183	3.4731	1.0732	0.9614	1.6096	3.8375	4.3535	3.2742	7.4362
glucose	Glucose	0.4904	0.5250	0.4899	0.2886	0.3533	0.3064	0.4212	1.0982	1.0920	1.3918	0.6026	0.2772	1.9712	1.0847	1.5151	0.6342	0.7205	1.0090	2.1377	2.8887	0.5593	0.7045	0.8815	2.2376	0.9005	0.8605	2.6836	1.8930	0.3427	2.9796	1.4003	2.5750	0.5553	0.5021	0.3902	0.3115	0.8706	0.7547	1.2846	2.1143	6.0587	5.1121	1.7615	3.4185	1.0627	0.9910	1.0652	1.0640
glucose 6-phosphate	Glucose 6-phosphate	0.9132	0.1633	1.7176	1.4163	0.4900	0.5016	0.3969	3.3271	0.5420	3.6619	3.3764	0.2217	9.6074	5.4305	4.4733	0.1569	2.1035	0.7515	0.3690	0.6027	1.8221	0.6103	0.9097	1.0004	0.8422	0.9433	0.2423	0.7469	0.3753	0.9574	0.9857	1.3471	1.7218	1.0576	1.5784	0.7637	0.9996	0.8653	1.4035	1.1173	7.5041	0.4770	1.4906	2.0292	3.7939	2.8992	3.8965	5.9615
glucuronate	Glucuronic acid	0.8485	1.5553	2.3063	2.1939	0.8235	0.6114	1.1177	1.7166	1.8591	2.1356	1.7564	1.4138	4.0123	3.3444	2.3468	0.5908	1.0392	0.7424	1.0191	0.7556	0.7365	0.7405	1.4685	1.9809	1.1458	0.9902	0.3518	0.6955	0.5492	1.6787	1.5324	1.3850	0.8044	0.7113	0.7248	0.5796	1.0434	0.7261	0.9933	1.0067	2.4405	5.2564	0.8670	0.6902	0.3194	0.3203	0.3736	0.6046
glutamate	Glutamic acid	1.0310	0.9541	2.3451	1.6731	0.8582	0.7066	1.0110	1.3200	1.8431	1.9943	1.4868	0.7516	13.0889	12.4966	1.4408	0.3724	0.8861	1.3125	0.4848	0.7654	0.8211	0.8972	0.9890	1.6158	0.8682	0.8739	0.7353	1.1385	0.5391	0.8714	0.7596	1.2822	1.3988	1.3387	1.7306	1.7025	0.5309	0.4266	0.6665	0.7003	1.1504	1.1551	0.8031	0.7757	0.9879	1.0217	1.0222	1.4697
glutamate_ gamma-methyl ester	Glutamic acid, gamma-methyl ester	0.6474	1.5307	1.8004	1.9599	0.5725	0.4739	0.5279	1.3077	1.3158	1.6101	1.6817	1	12.6630	15.4624	2.8567	0.4911	0.7246	1.3766	0.8695	1.9734	0.6483	0.8367	0.5450	2.6455	1.0430	1.2760	0.4443	1.4298	0.3949	1.1663	0.7975	1.7610	1.1681	1.4848	1.5638	1.8954	0.1575	0.2172	0.1575	0.2890	0.8229	0.7848	0.4774	0.5832	0.6345	0.8191	0.5151	1.0854
glutamine	Glutamine	0.6164	1.1039	1.8191	1.6566	0.6282	0.4704	0.4388	1.7718	1.7028	1.8507	1.5444	0.8396	13.0412	12.3240	2.8894	0.2760	0.7054	1.3014	0.8193	1.3501	0.6642	0.8114	0.5521	2.7421	1.1169	1.1208	0.2078	1.1028	0.4194	0.4743	0.5556	1.5563	1.0369	0.9631	1.5450	1.3778	0.1823	0.1606	0.3110	0.3391	0.8694	0.5079	0.2111	0.3522	1.2502	1.2011	1.2355	1.0519
glutarate (C5-DC)	Glutaric acid	1.7555	1.1271	1.6979	2.2342	1.7014	1.2901	2.4508	1.3576	1.4251	1.6062	1.8355	0.9361	7.5949	7.8247	1.4322	0.3730	0.5824	0.6275	0.6522	0.6718	0.7277	0.8288	0.3503	1.7687	0.7027	0.3503	0.4204	0.7084	0.3503	0.4935	0.3503	0.8768	1	1.0101	0.9419	0.9493	0.7280	0.6805	1.0455	0.5039	1.1310	0.8837	0.5375	0.4583	1.7054	1.8342	2.0258	2.4861
glutathione_ oxidized (GSSG)	Oxidized glutathione	2.0229	0.7192	3.0566	3.4843	2.0500	1.9588	2.0717	1.7571	1.8545	2.1960	2.4457	0.7908	9.5680	9.1758	1.0482	0.0423	0.4098	0.0423	0.0423	0.0556	0.0423	0.0423	0.0423	0.0423	0.8090	0.9196	0.0423	0.1723	0.6021	0.3499	0.2590	0.6333	0.2662	0.2452	0.9830	1	0.0423	0.0423	0.0423	0.0423	1.0130	1.4115	0.8128	1.3548	0.0423	0.0423	0.0423	0.0423
glutathione_ reduced (GSH)	Glutathione	4.1455	1.5321	12.9229	7.6140	3.5752	4.4865	3.2668	4.7835	9.4175	10.1285	5.7551	1.9390	146.3709	146.4769	0.7687	0.0128	0.1648	0.0128	0.0258	0.0132	0.0128	0.0128	0.0128	0.0423	0.4678	0.6440	0.0128	0.0302	0.6552	0.1866	0.1762	0.9544	0.1388	0.1780	1	1.0511	0.0128	0.0128	0.0128	0.0128	2.1381	3.1805	1.7778	2.7767	0.0533	0.0685	0.0519	0.0608
glycerate	Glyceric acid	6.4571	2.7024	6.8496	7.0454	3.9162	3.4730	6.3102	7.5934	7.4001	9.1379	6.3091	1.8023	0.3383	0.3013	1.0149	0.1349	0.2276	0.3398	0.3046	0.9851	0.8646	0.9702	0.2801	3.9775	0.2996	0.3507	0.0919	0.2674	0.1750	0.2223	0.2584	0.6309	0.8873	0.9119	1.0571	0.9765	16.8980	12.5737	20.1014	27.0497	108.2353	125.1722	29.7314	35.9122	0.8155	0.6968	0.7775	1.8332
glycerol	Glycerol	1.0773	0.6357	0.6770	0.6078	0.8852	0.7875	1.0320	0.9962	0.8080	1.1907	0.9624	0.3821	2.3632	1.9236	2.2274	0.8139	1.2693	1.3956	1.0114	1.2025	0.8371	1.0597	0.8904	1.7222	0.9432	0.9226	0.4282	1.1156	0.3789	1.3995	1.0038	1.6054	0.6923	0.7704	0.8993	0.5844	0.7810	0.8751	0.8025	0.8530	2.0462	1.5904	1.1576	1.0846	1.2562	1.7404	1.7434	1.1059
glycerol 3-phosphate	sn-Glycero-3-phosphate	4.2004	0.8562	3.7953	2.2803	2.1353	4.2617	2.6009	3.0221	6.7892	4.9397	3.4382	1	5.6224	5.5337	0.5877	0.2592	0.2385	0.3554	0.0989	0.0989	0.6260	0.5444	0.3812	0.5392	0.2380	0.2725	0.2780	0.3911	0.3382	0.3911	0.4679	1.1805	1.3616	1.4323	1.5851	1.7816	0.5611	0.4337	0.4378	0.4324	1.0944	1.1787	0.9821	0.8207	1.4350	1.2023	1.4312	2.9415
glycerophosphoethanolamine	sn-Glycero-3-phosphoethanolamine	0.7401	0.6798	0.8404	0.7057	0.8891	0.4593	0.7891	0.6093	0.8071	0.6279	0.5529	0.5378	4.6878	4.8225	2.4748	0.8114	1.2942	1.3291	0.6714	0.8430	1.2402	1.4395	1.2194	1.9680	1.8395	1.6477	1.3746	1.6075	0.7564	0.9970	0.8456	1.0030	1.6992	1.5238	1.8255	1.5259	1.1409	0.9066	0.7390	0.7025	1.0491	0.9801	0.6139	0.6633	8.8405	9.0235	8.9414	8.3875
glycerophosphoglycerol	sn-Glycero-3-phosphoglycerol	2.7063	0.4644	1.1464	0.9822	2.2261	2.6421	2.6664	1.1652	1.3054	1.4726	1.1895	0.3759	6.5029	5.4671	2.3223	0.6862	0.9739	0.6426	0.7132	0.6561	0.9072	0.9249	1.1019	1.0178	1.6046	1.3902	0.7222	1.1525	0.6692	0.8339	0.6960	0.8949	0.9355	0.9086	1.0800	0.8354	0.7806	0.5997	0.5682	0.3971	1.3778	1.2332	0.9212	0.9083	5.0672	4.8641	5.1022	5.8968
glycerophosphoinositol*	sn-Glycero-3-phosphoinositol	2.1852	0.7585	0.9847	0.6308	1.9571	1.1656	1.5128	0.8413	0.8657	1.0153	0.7082	0.5882	1.9220	1.7812	1.5106	0.4077	0.7338	0.7259	0.5375	0.5737	1.4266	1.4272	1.5203	1.5173	1.0950	0.8911	1.1801	0.9817	0.5851	0.6764	0.5971	0.5943	1.0377	0.9243	0.9610	0.6948	1.1119	0.8852	1.2966	0.8914	1.6609	1.3461	1.1961	0.8563	3.0662	2.4978	3.1525	2.7287
glycerophosphorylcholine (GPC)	sn-Glycero-3-phosphocholine	0.5852	0.7228	0.7684	0.6917	0.7548	0.3658	0.6538	0.4987	0.5315	0.5573	0.5051	0.5435	1.1593	1.2983	1.5204	1.0996	1.1493	1.3117	0.7632	0.9363	1.0450	1.1162	1.1461	1.5568	1.4518	1.3981	1.4748	1.4218	0.8197	0.9550	0.7814	0.8520	1.2865	1.2122	1.3507	1.2051	0.7402	0.6975	0.5973	0.5833	1.0773	1.1297	0.8667	0.8959	1.9567	2.0387	1.9579	1.7921
glycerophosphoserine*	sn-Glycero-3-phosphoserine	1.1068	1.1383	1.5062	1.0547	1.1866	0.6399	1.3090	1.1543	1.3706	1.2413	1.0487	0.7436	1.9499	1.7560	1.7041	0.5403	0.5615	0.7697	0.4080	0.5335	1.0572	1.2158	1.5041	2.7516	0.7961	1.0682	1.1534	1.2968	0.6449	0.9513	0.6711	0.8940	0.9063	0.8766	0.8205	0.6628	0.6300	0.6289	0.6648	0.6557	0.7794	0.5610	0.4604	0.4566	2.6151	2.6199	2.3151	2.5715
glycine	Glycine	0.7620	1.1275	1.0654	0.9426	0.8198	0.5641	0.6838	1.0936	1.0431	1.0960	0.9119	0.8183	5.4542	5.1652	2.6945	0.5442	0.7984	1.2658	0.4672	0.7927	1.0604	1.1354	0.9073	1.7933	0.9825	0.8872	0.8463	1.0055	0.4160	1.1395	1.0476	1.6402	1.1440	0.9945	1.0592	0.8966	0.6800	0.5746	0.7452	0.7897	1.4121	1.3426	0.9367	0.8962	2.0001	1.9907	2.0085	1.9837
glycochenodeoxycholate	Glycochenodeoxycholic acid	0.6935	0.7982	0.4223	0.5292	0.9943	0.9636	1.1658	0.6269	0.4795	0.3700	0.4449	0.2595	0.2595	0.2595	2.5883	1.3713	1.5750	2.4604	1.8016	2.6648	2.3367	2.8090	0.4385	1.9687	0.3707	0.5321	2.9207	0.5294	0.2595	2.1790	1	2.2547	3.6171	3.9467	2.2882	2.1933	0.7350	0.6918	0.8518	0.5972	1.6866	2.1661	1.5448	1.3795	0.9267	0.9934	0.6397	1.3306
glycosyl ceramide (d16:1/24:1_ d18:1/22:1)*	HexCer 40:2;O2	4.3042	0.5261	0.1894	0.2608	8.2286	5.7547	11.4098	0.6471	0.7259	0.6663	0.5817	0.3227	1.0529	0.9745	1.1973	0.8821	0.9260	0.5156	1.0889	1.2631	0.6533	0.8925	1	2.3720	0.7052	1.1457	0.3252	0.6263	0.4178	1.9407	0.2524	1.4601	0.2353	0.3031	0.1945	0.1845	1.4059	1.0035	1.1274	0.1845	1.7063	1.6570	1.0886	1.1120	2.9981	3.0085	3.0154	2.1648
glycosyl ceramide (d18:1/20:0_ d16:1/22:0)*	HexCer 38:1;O2	8.5040	0.3767	0.2362	0.2985	8.9058	6.6081	12.3469	0.6269	0.6183	0.5957	0.6012	0.2498	1.1876	1.0838	1.3235	0.5679	0.9162	0.7868	1.2580	1.3860	1.2163	1.3482	0.7447	1.4533	0.8299	0.8270	0.7449	0.7936	0.4285	0.8924	0.5358	0.9092	0.8285	0.7665	0.7541	0.7021	3.8991	3.4305	3.6817	3.5996	4.5682	4.9764	4.1845	3.8905	5.4644	6	5.3106	5.3335
glycosyl ceramide (d18:1/23:1_ d17:1/24:1)*	HexCer 41:2;O2	3.3369	0.7367	0.3142	0.4136	3.6386	2.6291	4.0868	0.9758	0.9519	0.8819	0.8484	0.4732	1.4665	1.3407	1.2664	0.6372	1.0021	0.6513	0.7486	0.7961	1.0844	1.4568	1.3385	3.5204	0.8245	0.8066	0.4940	0.5944	0.5816	1.6499	0.9979	1.9015	0.3883	0.4883	0.3402	0.3098	1.4544	0.8517	1.2351	0.8632	1.4098	1.5459	1.2197	1.0295	1.9097	1.9671	1.7997	1.4950
glycosyl ceramide (d18:2/24:1_ d18:1/24:2)*	HexCer 42:3;O2	2.1834	0.7356	0.3890	0.4647	2.5571	1.8021	2.9611	0.9021	0.9489	0.8656	0.7654	0.4718	1.1036	1.0117	1.2430	0.5798	0.8259	0.4668	0.6633	0.7506	1.1758	1.4088	1.3691	3.5602	0.6655	0.6121	0.4196	0.3316	0.5502	1.5339	0.9595	1.7001	0.2981	0.3284	0.2811	0.2221	2.1439	1.7718	1.7290	1.5638	1.4612	1.5983	1.2693	1.2239	1.3265	1.4025	1.3463	0.9883
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH))*	HexCer 18:1;O2/24:1;O	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.1133	0.5948	1	1.0307	1.1131	1.0890	0.1243	0.1133	0.1133	0.1133	0.1133	0.1133
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*	HexCer 18:2;O2/22:0	3.6963	0.4923	0.2913	0.4501	0.2028	0.2028	0.2028	1.0798	1.0030	0.9803	0.9013	0.3049	1.0578	0.9781	0.9970	0.2028	0.5396	0.2028	0.2028	0.2028	1.6538	1.7669	0.8770	2.5018	0.3954	0.2028	0.4796	0.2028	0.3674	0.2028	0.2028	0.9576	0.5032	0.4298	0.5146	0.4262	3.4265	3.2729	3.5217	4.8643	2.6176	3.1659	2.4603	2.5086	1.6846	1.9920	1.6286	2.1551
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	HexCer 18:1;O2/16:0	2.4466	0.9536	0.6009	0.6883	2.3329	2.4285	2.9436	1.3541	1.3797	1.2643	1.1806	0.7635	0.8768	0.8273	0.7008	0.4011	0.6670	0.4191	0.5111	0.5647	1.0696	1.0860	0.8192	1.2971	0.5307	0.5256	0.2613	0.3471	0.5296	0.9428	0.6953	1.0464	0.3674	0.3809	0.3973	0.3510	1.6481	1.6299	1.8911	2.0489	2.3107	2.4492	2.2048	2.2323	4.3778	4.4260	4.1993	3.7501
glycosyl-N-stearoyl-sphinganine (d18:0/18:0)*	HexCer 18:0;O2/18:0	11.4386	0.4490	0.3006	0.8731	12.8884	7.3736	17.2054	0.3006	0.3006	0.4115	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	1.1269	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	0.3006	1.9965	1.2160	0.3006	0.7454	0.3006	0.3006	0.4372	0.3006	0.3006	0.3977
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	HexCer 18:1;O2/18:0	7.0801	0.9920	0.5563	0.6973	8.4846	6.6329	11.1365	1.1777	1.1293	1.0522	1.0080	0.6078	0.8088	0.7665	0.4757	0.2662	0.5102	0.4034	0.7637	0.8921	0.9771	1.1046	0.7828	1.6259	0.4855	0.5241	0.4833	0.4788	0.3361	1.2062	0.8271	1.5236	0.4024	0.4103	0.3844	0.3753	4.7170	4.1267	5.2155	5.1129	6.4931	7.0739	6.1536	5.7813	3.9330	3.9746	3.6911	3.4001
glycylisoleucine	Gly-Ile	0.1017	1	0.1017	0.2664	0.4115	0.1335	0.2090	0.1017	0.1017	0.1017	0.1017	0.5911	0.1376	0.1876	2.7644	0.6769	1.5606	2.0939	1.6374	1.5458	2.0735	2.3746	1.8043	0.9550	2.2649	1.8523	1.5855	1.4770	0.7055	1.0552	0.6765	0.6197	2.7651	2.2139	2.4177	1.9532	0.1017	0.1017	0.1076	0.1017	0.1017	0.1017	0.1968	0.3025	0.1017	0.1576	0.1017	0.1017
glycylleucine	Gly-Leu	0.2468	1.3826	0.1784	0.4841	0.7127	0.4234	0.6856	0.2177	0.1769	0.1273	0.2087	0.7385	0.6566	1.2266	7.4722	5.1009	7.6709	10.5436	3.8616	3.6040	6.8067	7.4192	5.9046	1.8712	9.8780	9.5903	6.3179	7.0703	3.5653	5.7640	4.0543	2.5803	9.7136	8.9406	8.5176	6.9616	0.0971	0.0995	0.2952	0.2541	0.2836	0.3946	0.5757	0.4743	0.5719	0.7734	0.5457	0.5341
glycylvaline	Gly-Val	0.4844	2.7441	0.5332	1.1343	1.1077	0.5651	0.8089	0.4955	0.5264	0.3364	0.4813	1.9002	0.7299	0.9860	3.8691	0.8084	1.5477	2.1581	1.2893	1.3051	2.6532	2.9091	1.7844	1.9813	2.2691	1.9943	1.8786	1.1615	0.7956	1.1809	1.0140	1.4613	2.3199	2.1842	2.3872	1.9159	0.0868	0.0545	0.1451	0.1306	0.1649	0.1880	0.1830	0.2118	0.3700	0.3715	0.2960	0.3107
guanidinoacetate	Guanidoacetic acid	0.4065	0.4065	0.4065	0.4065	0.4065	0.4065	0.4065	0.4065	0.4065	0.4065	0.4065	0.4065	0.8594	0.4065	0.4065	0.4065	0.4065	1.0996	0.4065	0.6457	0.4065	0.4065	0.4065	0.4259	0.4065	0.4065	0.4065	0.7754	0.4065	0.4065	0.4065	0.6331	0.4065	1	0.6408	0.7316	2.2833	1.6276	1.6931	2.2827	0.4065	0.4065	0.6341	0.4065	5.7987	5.9804	4.7244	5.1531
guanine	Guanine	2.6332	1.9256	2.4571	2.2045	2.7359	2.0707	2.9202	2.4201	3.8728	3.1098	2.0040	1.5593	3.9723	2.5694	1.8315	0.2353	0.7028	0.9909	0.3601	0.7832	1.0489	1.3007	0.7884	1.8078	0.9850	1.0091	0.2952	0.7795	0.6032	0.6823	0.5982	1.3981	1.3554	1.4074	1.4057	1.5650	0.0028	0.0028	0.0040	0.0036	0.0055	0.0054	0.0035	0.0050	0.0719	0.0714	0.0615	0.0781
guanosine	Guanosine	2.5246	1.2342	5.2718	4.0347	2.7703	1.4549	2.3840	3.3086	4.6677	5.5437	3.7842	0.9244	14.3528	10.5903	1.0059	0.4619	1.0803	0.9575	1.9270	2.1612	0.8414	0.9467	1.2358	1.7923	0.8370	1.1246	0.5127	1.2667	0.4861	0.9941	0.6779	1.3032	0.6153	0.7429	0.7497	0.8472	0.0858	0.0554	0.2215	0.1759	0.3827	0.3135	0.1075	0.1296	0.9420	1.1353	0.7451	1.1794
guanosine 3^-monophosphate (3^-GMP)	Guanosine 3'-monophosphate	0.2840	0.6306	1.3619	2.0936	0.2107	0.3210	0.2107	0.7688	0.2107	0.3418	0.6043	0.8487	0.2107	0.2107	0.2107	1.6786	0.2107	0.2107	4.2793	4.4627	0.5435	0.3955	0.4800	1.0460	0.2898	0.3047	0.2107	0.2107	0.3621	0.2107	0.2573	0.2107	1.1495	1.1880	1.0888	1.1742	4.3046	2.0557	0.6210	1.0766	7.3733	0.4469	0.2616	2.2011	1.7147	1.6564	1.3638	1
guanosine 5^- diphosphate (GDP)	GDP	1.0828	0.4578	1.2661	1.1639	1.1965	1.1246	0.7262	1.4889	0.9760	1.1793	1.5776	0.9081	0.2513	1.2725	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.3075	0.2513	0.2513	0.2513	0.2513	1.0240	0.5738	0.6986	0.7766	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.2513	0.3395	0.2513	0.2513	0.2513
guanosine 5^-diphospho-fucose		0.7826	0.6179	1.4228	1.6270	0.9231	1	0.8173	1.0368	1.1406	0.9735	0.9822	0.6177	2.5156	2.4159	0.1976	0.1976	0.1976	0.1976	0.1976	0.1976	0.1976	0.1976	0.1976	1.1297	0.6586	1.0711	0.1976	0.1976	0.8020	0.1976	0.1977	1.3677	0.1976	0.1976	0.1976	0.1976	0.4393	0.1976	0.1976	0.5370	1.2168	1.3060	0.4390	0.7778	1.1337	1.2596	1.2603	1.6281
gulonate*	Gulonic acid	0.7548	2.6043	8.4524	5.3307	0.5708	0.4973	0.6930	2.7765	5.1543	5.2440	3.2349	2.2242	14.7909	13.7129	0.6199	0.0864	0.5454	0.1273	0.0135	0.0135	1.1157	0.9461	0.2571	0.3666	0.3239	0.2737	0.0135	0.1501	0.0773	0.4058	0.4389	0.8513	1.0893	0.8500	0.8573	0.6210	2.1536	1.4168	1.0539	0.9407	5.5448	4.5490	3.1210	3.4235	3.3436	3.5615	3.7996	8.2698
heme	Heme	0.3264	0.3264	0.3264	0.3264	0.3264	0.5549	0.3264	1.0046	0.8785	1.2355	0.4866	1.0015	0.3264	0.3264	1.0253	0.3264	0.3264	0.3264	0.3264	0.3264	1.6862	0.4109	1.0085	0.3264	0.3264	0.3264	0.3264	0.3264	0.3264	0.3264	0.3264	0.4399	0.3264	0.3264	0.7698	0.3264	2.0413	0.6823	1.6137	0.5723	1.8339	1.0131	2.1771	0.9985	1.1287	0.5013	0.9134	0.3264
heneicosapentaenoate (21:5n3)	6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid	1.7597	0.3965	0.3284	0.2607	3.2801	2.4755	3.6336	2.2784	0.2230	0.4178	0.2611	0.1928	2.1255	2.2174	2.3637	7.8581	1.7427	6.0441	2.0913	3.0082	1.0183	1.0374	0.7236	9.8332	3.5995	6.5775	1.7379	3.8297	0.4876	18.1905	2.7981	25.3941	0.3952	1.6309	0.9817	0.8981	0.3516	0.2283	0.1720	0.2927	0.3041	0.7119	0.4154	0.2098	0.3960	0.3717	0.1390	0.3454
HEPES		0.9865	0.0010	0.0002	0.0002	0.9696	0.7291	1.0275	0.0002	0.0020	0.0002	0.0002	0.0002	2.5804	2.3062	2.8730	0.8716	1.2829	1.2812	0.7702	0.9355	0.9670	1.1230	0.9374	1.9454	1.0135	1.1561	0.8923	1.5178	0.6680	1.0194	0.8599	1.3205	1.2357	1.2362	1.0489	0.9563	0.0002	0.0002	0.0002	0.0002	0.0005	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002
heptadecasphingosine (d17:1)	C17 Sphingosine	0.4266	0.6346	0.6338	0.7936	0.4712	0.3944	0.8194	0.9702	0.6286	1.0298	0.9243	0.4557	4.8172	4.2041	4.0839	1.0592	1.6221	1.4111	0.9253	1.0398	1.6370	1.9335	1.9908	6.2238	1.7386	1.8505	1.0374	1.4936	1.2492	1.8840	1.3193	2.4525	1.4912	1.6489	1.3085	1.2202	0.0820	0.0983	0.1084	0.1337	0.3517	0.3838	0.1692	0.2177	0.4692	0.5830	0.4782	0.6128
hexadecasphingosine (d16:1)*	C16 Sphingosine	0.4397	0.7774	0.9302	0.8767	0.4481	0.3834	0.5930	0.9062	0.8025	1.1774	1.0349	0.6048	4.7023	5.0694	4.7681	1.3955	1.5221	1.6280	1.0403	0.9651	2.0388	1.9851	2.2563	7.0291	1.8850	1.6247	0.9091	1.6561	1.2668	2.3428	1.3008	2.5414	1.7385	1.8720	1.5486	1.1784	0.1754	0.1831	0.2184	0.2075	0.5841	0.5127	0.2834	0.2921	0.5562	0.5874	0.5815	0.6555
hexanoylcarnitine (C6)	CAR 6:0	0.6340	0.2171	0.2171	0.2171	0.4811	0.2171	0.4680	0.2171	0.2171	0.2171	0.2171	0.2171	31.6700	42.6762	0.2171	0.2171	0.2171	0.2171	0.2171	0.2171	0.2171	0.2171	0.2171	0.2171	0.2171	0.2171	0.2171	0.2171	0.2171	0.2171	0.2171	1.0986	0.2171	0.3916	0.2171	0.2171	1.4383	1.0061	0.2171	0.9939	0.2171	1.3654	0.2171	1.3673	0.2171	0.2171	0.2171	0.7819
hippurate	Hippuric acid	1.2779	0.8063	1.0589	1.2461	1.2838	1.4438	1.5326	0.8555	1.1469	0.9225	1.1062	0.4320	5.1218	4.8227	1.5007	0.5919	1.5621	0.9881	0.9093	1.4947	1.4121	1.7353	0.2401	0.8002	0.6339	0.7500	0.7960	0.4050	0.2388	1.2170	0.8346	1.3774	1.4748	1.5408	1.5766	1.5532	0.5470	0.5435	0.5928	0.5569	1.0155	1.0041	0.9430	0.9959	0.7817	0.8408	0.7340	1.1564
histidine	Histidine	1.1542	1.3929	1.4326	1.2063	1.1789	0.8644	0.9967	1.5320	1.5554	1.4429	1.2689	1.0328	2.5999	2.2354	2.6506	0.5380	0.7416	1.1131	0.6647	0.9161	1.0033	0.9900	0.7655	2.1566	0.7803	0.6672	0.7313	0.9628	0.4657	0.8293	0.9203	1.5466	1.0659	0.9105	1.0976	0.8406	0.3613	0.2852	0.5193	0.4751	1.2036	0.8963	0.6532	0.7022	1.4746	1.4439	1.6298	1.0762
histidylalanine	His-Ala	0.1228	1.5246	0.1228	0.1349	0.3502	0.1228	0.1715	0.1228	0.1228	0.1228	0.1228	0.6438	0.1228	0.1883	2.0985	0.4795	1.4884	1.4854	1.8164	1.4609	2.1539	2.2057	2.9751	1.0702	2.1609	1.8725	0.7903	1	0.7391	1.1602	0.6875	0.6782	1.4316	1.4344	1.4038	1.1683	0.1228	0.1228	0.1228	0.1228	0.3107	0.1972	0.3072	0.4089	0.7543	1.0699	0.8022	0.2386
homocysteine	Homocysteine	1.1861	0.4381	0.4622	0.2220	0.9893	0.7192	1.4267	0.9535	1.6848	1.5976	0.2319	0.2821	1.0498	0.4616	1.4926	0.2220	0.2220	0.2220	0.2220	0.2220	0.2220	0.2220	0.2220	0.5316	0.2220	0.2220	0.2220	0.2220	0.2220	0.2220	0.2220	0.2522	0.2220	0.2220	0.2220	0.2220	0.2220	0.2220	0.2220	0.4449	6.6320	5.1761	2.0263	1.9610	1.1387	0.8964	1.0107	1.6728
homostachydrine*	(S)-Homostachydrine	0.5394	0.3904	1.0411	0.8614	0.6391	0.3942	0.4077	0.6445	1.0377	0.7862	0.6831	0.4500	10.8254	9.6230	0.0822	0.0822	0.2093	0.7869	0.0822	0.0822	0.0822	0.0822	0.0822	0.0822	0.2240	0.0822	0.2549	0.7774	0.0822	0.0822	0.0822	0.0822	0.9380	0.9623	1.0435	1.0392	1.6690	1.4360	1.2902	1.4957	2.6672	2.9776	2.1031	2.0888	2.5550	2.6480	2.3261	3.1282
hydroxy-N6_N6_N6-trimethyllysine*		0.5684	0.6980	0.7027	1.0161	0.6032	0.2701	0.2975	0.4448	0.4274	0.5871	0.4120	0.5359	3.0888	3.1058	1.4070	0.2787	1.4993	1	1.2505	1.4807	0.5130	0.6064	1.8548	1.1155	1.9523	2.1714	0.5063	1.8315	0.6236	1.9082	0.8548	1.4389	0.3059	0.2701	0.2701	0.2701	0.3503	0.3871	0.8285	0.9906	1.8702	1.7718	1.4028	1.4434	7.1890	7.2797	6.4707	6.2915
hydroxyproline	Hydroxyproline	4.1784	0.7500	1.9252	1.5003	4.3771	2.3641	3.3345	0.8996	1.5999	1.1626	1.0134	0.5345	9.9364	11.6593	0.9832	0.3147	1.0106	0.9456	0.2796	0.5421	0.7373	0.9579	0.4587	1.4985	0.8056	0.8676	0.2793	0.8576	0.3399	0.6849	0.5741	1.3737	1.5056	1.6116	1.8240	2.0175	1.0425	0.9106	0.9894	1.0878	0.5882	0.7103	0.6417	0.7017	1.9128	2.1498	1.6384	2.8123
hypotaurine	Hypotaurine	1	0.2782	2.1560	1.0411	0.8657	0.7337	0.6705	1.1110	2.8778	2.4601	1.8004	0.1896	38.5845	38.3097	0.7909	0.0765	0.0765	0.0765	0.0765	0.1169	0.1663	0.2145	0.0765	0.0765	0.1282	0.0890	0.0765	0.1226	0.0765	0.1365	0.1343	0.4312	0.1271	0.1365	0.3887	0.2634	6.3349	4.2715	3.2758	3.6826	2.8594	2.5654	2.0623	2.9314	10.6307	12.4254	11.5200	17.7603
hypoxanthine	Hypoxanthine	2.5698	1.3970	2.0919	1.7065	2.0964	1.6848	2.4188	2.0799	3.0684	2.5100	1.7500	1.0399	7.4978	5.1608	2.1155	0.1526	0.6509	0.8591	0.2009	0.5047	0.6420	0.8195	0.4718	1.4167	0.6243	0.6265	0.2655	0.6158	0.3310	0.4281	0.4620	1.1172	0.9601	0.9102	1.0686	0.8938	0.3302	0.2847	0.6318	0.5702	1.9228	2.1691	0.6976	0.7238	1.2759	1.3114	1.3285	1.4889
imidazole lactate	Imidazolelactic acid	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.7784	0.9647	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	0.1920	1.5341	1.4797	0.5678	0.9872	0.6850	0.9210	1.1276	1.2293	1.4708	1.7401	1	1.3420
imidazole propionate	Imidazole propanoate	1.3269	0.4211	1.2241	0.8353	1.2824	0.9795	1.0205	0.7082	1.3451	1.1743	0.8230	0.3438	4.4845	4.9939	0.2456	0.2456	0.3371	0.5722	0.2456	0.2456	0.2456	0.3317	0.2456	0.2456	0.2456	0.2456	0.2456	0.3814	0.2456	0.3255	0.2456	0.2456	0.8121	0.6484	0.7102	0.7564	1.4334	1.2522	0.9746	0.9486	1.0327	1.3755	1.0771	1.1886	5.2364	5.9599	4.6280	7.7169
indolelactate	Indolelactic acid	0.1240	0.1240	0.1240	0.1240	0.1240	0.1240	0.1240	0.1240	0.1240	0.1240	0.1240	0.1240	2.9190	3.1048	0.1240	0.1240	0.1240	0.1240	0.1240	0.1240	0.1240	0.1240	0.1240	0.1270	0.1240	0.1240	0.1240	0.6834	0.1240	0.1240	0.1240	0.1240	0.5630	0.7501	0.7167	0.5809	0.1240	0.1240	0.1240	0.1240	1.1428	1.1665	0.8572	0.1240	1.4731	1.6242	1.7937	4.4598
inosine	Inosine	1.8655	0.6816	3.3977	3.0603	2.1829	1.1353	1.5136	1.6389	2.2942	2.8456	2.6009	0.5961	14.4655	13.1374	0.8008	0.6363	1.6848	1.1264	1.9584	1.5199	0.6321	0.8122	1.0085	0.9464	0.9915	1.2502	1.1649	1.2113	0.9656	0.9600	0.6581	1.0342	0.7369	0.7854	0.5921	0.8261	0.4192	0.3132	0.7341	0.8116	0.7138	0.6654	0.7075	0.7107	1.2485	1.2595	0.8382	1.6354
inositol 1-phosphate (I1P)	Inositol 3-phosphate	1.5682	0.6462	2.5381	1.7038	0.8890	1.4499	0.8014	1.4692	1.3999	1.5207	2.1630	0.4435	4.0657	2.9987	1.9148	0.3227	1	0.6221	0.9345	0.9147	0.8577	0.4815	1.0530	0.9865	0.6083	0.7894	0.5364	0.8899	0.4743	1.0955	0.8876	0.6441	0.6871	0.3227	0.7926	0.4336	0.8405	0.5019	1.8542	1.1358	4.4238	1.1696	3.3849	2.3392	2.7823	3.0358	2.6134	2.7349
Isobar: hexose diphosphates	Fructose 1,6-bisphosphate	2.5559	3.4076	12.2925	10.7414	2.3904	1.6500	1.5864	10.3701	12.1803	15.3021	9.1861	2.1580	25.7515	21.8886	1.3948	0.3130	0.5397	0.4172	0.0742	0.0839	0.7934	0.9274	1.2391	2.8996	0.9783	1.0217	0.0522	0.4398	0.8744	0.3738	0.4697	1.6092	0.8034	1.0865	0.9743	0.9438	0.3308	0.3353	0.3927	0.4685	0.2607	0.2173	0.4415	0.6074	2.7827	2.8401	2.6848	1.8510
isobutyrylcarnitine (C4)	CAR 3:0;2Me	1.2749	0.3770	0.6388	0.4053	0.9759	0.6433	0.8983	0.3082	0.4325	0.6228	0.4256	0.3082	6.1429	6.8006	1.8944	0.6621	1.1075	1.0241	0.7995	0.9517	0.6469	0.4103	0.8920	0.3082	1.5039	1.4642	0.8162	1.5405	0.6869	2.5158	1.8774	3.5559	0.9374	0.8483	0.8316	0.9718	1.7884	1.3580	0.9530	1.3024	2.1355	2.2228	1.5997	1.7584	5.5790	6.3972	5.5624	6.7516
isoleucine	Isoleucine	0.7044	1.0927	1.1587	1.1243	0.8143	0.5499	0.6862	1.1368	1.0498	1.1646	1.0704	0.7451	2.1782	2.0638	2.0110	0.4983	0.8201	1.2436	0.6266	1.0639	1.0480	1.1453	0.8690	1.5757	0.9412	0.8753	0.8169	0.9800	0.4698	1.0210	0.8864	1.2663	1.2118	1.0654	1.1088	1.0200	0.3142	0.2838	0.4584	0.4703	0.7988	0.7196	0.4489	0.4913	1.1737	1.1677	1.1658	0.9225
isoleucylglycine	Ile-Gly	0.3296	1.6422	1.3170	2.3061	0.5142	0.5181	0.4614	1.1321	0.8352	0.9033	1.6515	1.1093	0.6108	1.0967	1.8674	0.7628	1.1838	1.6684	2.5992	4.0837	2.2458	1.9959	1.7600	1.5110	1.7890	1.4007	1.4127	1.4068	0.7517	1.1605	0.8845	0.6465	1.3278	1.2410	1.2235	0.7612	0.0553	0.0714	0.1486	0.1109	0.1804	0.0984	0.1843	0.3632	0.2251	0.3566	0.2166	0.1377
isovalerylcarnitine (C5)	CAR 4:0;3Me	0.8472	1.2575	0.9100	0.7669	0.7258	0.6143	0.9238	0.7222	1.0538	1.0401	0.6547	0.5561	9.7078	14.6686	2.1370	0.9131	1.2096	1.9529	0.8478	0.9011	0.6563	0.6071	1.1137	1.0962	1.6379	1.3079	1.0272	1.7576	0.6626	1.6034	1.0640	1.4131	0.8336	0.8587	0.6802	1.0878	0.9728	0.8990	0.6879	0.2729	1.5997	1.3082	0.8338	0.8825	3.6175	4.2002	3.4926	5.5016
isovalerylglycine	Isovalerylglycine	0.8366	0.9367	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	1.4520	0.8807	0.8366	0.8366	0.8366	0.8366	0.8366	1.0515	0.8366	0.9214	0.8366	0.9209	0.9864	1.9662	0.8366	0.8366	1.1182	0.8366	1.0434	0.8366	0.8366	0.8366	0.8366	0.8366	1.0136	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366	0.8366
kynurenine	Kynurenine	0.4653	0.2622	0.4079	0.3556	0.4704	0.3035	0.4977	0.3600	0.4773	0.4151	0.3045	0.1675	40.3763	43.5667	1.6677	0.3829	0.6311	0.7359	0.1721	0.2757	1.2744	1.5412	0.3486	0.6648	1.2327	1.3683	0.4061	2.0484	0.6246	0.2891	0.2162	0.7673	4.9404	5.4711	10.1898	10.9361	9.1327	8.0385	10.6036	12.3104	10.9834	12.3334	5.4765	7.1532	9.6107	9.9183	7.9029	6.7718
lactate	Lactic acid	0.6981	0.4377	2.2120	1.6882	0.4635	0.5401	0.7752	1.3653	3.1984	2.3648	1.7394	0.2872	11.5860	9.6353	0.6021	0.1527	0.6710	0.4208	0.2244	0.3850	0.8038	1.0815	0.1110	0.4379	0.2386	0.2473	0.0851	0.1141	0.0597	0.6634	0.4213	0.6521	1.4880	1.5607	1.1050	0.9185	2.4036	1.9892	1.2593	1.2698	2.3864	2.1841	1.4042	1.8877	2.9720	3.2158	3.0377	5.9114
lactosyl-N-arachidoyl-sphingosine (d18:1/20:0)*		16.1038	0.2995	0.3093	0.4071	16.5887	13.2179	20.9120	0.1978	0.1978	0.1978	0.1978	0.1978	0.8083	0.7097	0.5826	0.1978	0.1978	0.3192	0.3618	0.3180	1.0093	1.0099	0.5548	1	0.2700	0.1978	0.2387	0.3599	0.1978	0.1978	0.1978	0.1978	0.1978	0.1978	0.3824	0.3507	2.4780	1.9369	1.5473	1.5484	1.1921	1.2440	1.1822	1.0524	1.4188	1.3866	1.3980	0.8552
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*	LacCer 18:1;O2/22:0	11.9977	1.0657	1.4206	1.6665	13.7611	11.7391	14.6913	1.2227	1.1829	1.1988	1.3592	0.6591	1.7952	1.4023	0.8940	0.2120	0.4136	0.3145	0.1919	0.2125	1.6734	1.8741	1.0958	2.6477	0.3314	0.3505	0.2379	0.3444	0.3429	0.3658	0.2203	0.4413	0.4989	0.5459	0.5199	0.4961	1.5586	1.2807	1.1808	1.3863	0.8415	0.8305	0.9343	0.7561	1.1111	1.1792	1.1533	0.8042
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	LacCer 18:1;O2/24:1	4.6156	1.1465	1.1781	1.2935	4.8637	4.3337	5.4811	1.1281	1.0134	1.1114	0.9866	0.7553	1.3844	1.2372	1.3621	0.5758	0.7544	0.6808	0.6479	0.6831	1.7971	1.9976	1.2459	2.9218	0.5713	0.6044	0.4486	0.7695	0.3551	0.8548	0.5382	0.7232	0.5358	0.5254	0.4439	0.3797	1.8372	1.5536	1.1207	1.0809	0.7545	0.7474	0.7201	0.6513	1.1564	1.2134	1.1862	0.7445
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	LacCer 18:1;O2/16:0	3.0300	1.4483	1.4994	1.5002	4.0587	4.5634	5.3749	1.0796	0.9378	1.1042	1.0635	1.1461	1.0125	1.0790	0.7435	0.3295	0.3988	0.2657	0.2187	0.2459	0.9593	0.8627	0.8001	1.5731	0.3965	0.4184	0.1567	0.2909	0.5376	0.4243	0.2849	0.4075	0.3749	0.4140	0.3118	0.3982	2.0440	2.0502	2.0063	1.4744	1.5261	1.4008	1.3740	1.4784	1.0599	0.9875	1.0944	0.7630
lactosyl-N-stearoyl-sphingosine (d18:1/18:0)*	LacCer 18:1;O2/18:0	11.8316	0.8021	0.6057	0.6412	12.1780	10.6660	14.4452	0.4818	0.2696	0.4131	0.4222	0.2696	0.4105	0.3487	0.2696	0.2696	0.2696	0.2696	0.2696	0.2696	0.7937	0.9083	0.2696	1.1890	0.2696	0.2696	0.2696	0.2696	0.2696	0.2696	0.2696	0.2696	0.2696	0.2696	0.2696	0.2696	2.2234	1.3821	1.4099	1.5927	1.0780	1.2382	1.1752	1	0.2696	0.2696	0.2878	0.2696
lanthionine	Lanthionine	0.7520	3.4088	1.6118	2.3606	0.9451	1.0730	1.0211	2.5619	1.6479	1.9334	1.5473	1.7382	0.8665	0.4149	3.0752	0.8209	1.5999	0.3732	0.5140	2.4568	2.2189	2.0493	2.2470	5.2764	0.7706	2.4351	0.1999	1.1336	0.4855	0.9789	0.8316	1.9123	0.4762	0.8989	1.9443	2.1159	0.5090	0.3833	0.4386	0.5767	1.3060	1.5716	0.3260	0.3539	0.2638	0.3295	0.1103	0.4299
leucine	Leucine	0.7202	1.3022	0.9035	1.0596	0.8157	0.5697	0.6578	0.9434	0.8259	0.9138	0.8973	0.8861	1.5120	1.4862	1.9722	0.6832	1.0214	1.2849	0.9786	1.2293	1.2096	1.3422	1.3184	1.6968	1.2229	1.1305	0.9249	1.0554	0.6661	1.0790	0.9371	1.1951	1.2200	1.1539	1.1523	1.0264	0.2337	0.2065	0.3558	0.3306	0.7509	0.6288	0.4092	0.4265	1.0332	1.0538	1.0324	0.7807
leucylalanine	Leu-Ala	0.0941	1.3751	0.0924	0.2774	0.2656	0.1663	0.2513	0.1935	0.1445	0.1721	0.1869	0.8995	0.0711	0.0711	0.8952	2.5080	3.9169	2.1358	8.4102	1.9665	2.6175	2.7245	6.4323	0.6547	5.3019	4.8016	2.1974	1.4801	2.2966	2.1904	1	0.4291	2.5300	2.4301	2.0190	1.9929	0.0809	0.0711	0.0711	0.0711	0.0711	0.0711	0.1128	0.1372	0.0711	0.1437	0.0711	0.0711
leucylglutamine*	Leu-Gln	0.1880	2.1504	0.2191	0.5050	0.3712	0.2923	0.4028	0.4148	0.4186	0.2546	0.3308	1.5706	0.1894	0.1824	1.1647	2.6395	4.0934	1.9658	10.6487	2.8683	2.9083	3.1489	9.5939	1.4450	4.9718	4.6678	2.6235	1.4163	3.1285	2.8469	1.1926	1	2.4671	2.5712	1.8389	2.0093	0.0620	0.0620	0.0761	0.0815	0.0827	0.1230	0.1600	0.1261	0.1213	0.1313	0.1115	0.0920
leucylglycine	Leu-Gly	0.3091	2.8817	0.2894	0.8248	0.6788	0.5908	1	0.3474	0.5467	0.2929	0.4878	1.6117	0.0821	0.3849	2.3637	14.2922	15.1086	8.9382	32.6714	9.6450	9.1428	9.5950	21.3296	1.5175	19.5532	19.6743	6.6271	5.6481	11.2220	6.9917	2.6951	0.9775	11.3826	13.8307	10.5444	11.8460	0.1257	0.0821	0.2249	0.1947	0.1313	0.1456	0.2749	0.3091	0.2385	0.2886	0.2089	0.1731
lignoceroylcarnitine (C24)*	CAR 24:0	5.1308	0.5005	0.5005	0.5005	6.0642	0.9869	1.6237	0.5005	0.5005	0.5005	0.5005	0.5005	1.8641	2.1101	1.3283	0.5005	0.5005	0.5005	0.6436	0.6450	0.6799	0.7749	0.9307	2.1416	0.5005	0.5005	0.7718	0.5005	0.5005	1.6196	0.8398	2.5572	0.5005	0.5005	0.5911	0.6662	1.2642	1	1.6984	1.6701	0.8457	1.3807	0.5005	0.5127	0.5005	0.5005	0.5005	0.5005
lignoceroyl sphingomyelin (d18:1/24:0)	SM 18:1;O2/24:0	0.8402	0.8621	1.1054	1.2636	0.8956	0.5200	0.6616	1.1380	1.0872	1.2036	1.1495	0.5185	1.5525	1.3428	1.8787	0.2728	0.6979	0.8778	0.2542	0.2613	1.7662	1.8938	1.4032	1.8263	0.7807	0.8489	0.3910	0.5979	0.4709	0.6477	0.3806	0.7210	2.2104	2.2886	2.0004	1.7348	0.4863	0.4016	0.6712	0.6123	1.4607	1.4611	1.0364	0.9636	2.1511	2.3101	2.1836	1.8429
linoleate (18:2n6)	Linoleic acid	1.7747	0.6837	0.5373	0.4781	3.6130	2.2352	4.8984	3.1014	0.5471	0.7641	0.6888	0.3470	1.4257	1.3420	1.5873	4.7123	0.9345	2.1763	1.1614	1.7216	0.9410	0.9892	0.7844	7.4942	1.3442	2.2335	1.0108	1.3895	0.5737	7.6551	1.4388	10.8781	0.4393	1.3980	0.9632	0.9044	0.9343	0.6523	0.5402	0.8052	1.2039	2.0798	1.6604	0.8621	0.9094	0.9569	0.5067	0.9208
linolenate (18:3n3 or 3n6)	Octadecatrienoic acid	2.6687	0.7373	0.6964	0.7076	4.8260	3.7818	6.5485	3.5147	0.7799	1.1072	0.9827	0.3856	1.4898	1.3555	1.3675	2.9996	0.8819	1.5312	1.1268	1.5116	0.9994	1.0781	0.8331	10.1673	1.3688	2.3595	0.8026	1.0006	0.6135	8.4189	1.5117	14.7849	0.5185	1.1730	0.9777	0.9512	0.5591	0.4370	0.3764	0.5051	0.9186	1.5446	1.2448	0.7633	0.8204	0.8811	0.5145	0.8552
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*	DG 18:2_20:4	0.3069	0.2090	0.2090	0.2090	0.2090	0.2090	0.3556	0.2090	0.2090	0.2090	0.2090	0.2090	0.8460	0.7259	0.2090	0.2090	0.2090	0.2090	0.2090	0.2090	0.2090	0.2090	0.5283	0.2090	1.4329	1.2696	1.8420	0.9289	0.2090	0.2090	0.2090	0.2090	0.2090	0.2090	0.2090	0.3837	1.7143	2.1221	0.7342	1.0711	2.2958	1.5943	1.1923	1.3263	0.2090	0.2090	0.4024	0.2090
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	DG 18:2_20:4	1	0.8080	0.6410	0.6330	0.6437	0.6522	1.9092	0.4209	0.4376	0.2744	0.5921	0.2744	1.1914	1.1457	0.6759	0.6827	4.1464	1.6266	4.9097	4.8935	0.5166	0.9440	1.2015	5.7450	1.7391	1.6687	2.1367	1.9723	0.2744	4.3823	3.5486	8.3161	1.0471	1.1028	1.0035	0.8975	0.2744	0.4807	0.2744	0.3378	0.5385	0.2744	0.6984	0.6203	0.2744	0.2744	0.2744	0.2744
linoleoylcarnitine (C18:2)*	CAR 18:2	1.1415	0.2866	0.2866	0.2866	0.8922	0.3344	0.9797	0.2866	0.2866	0.2866	0.2866	0.2866	14.1199	24.2273	0.2866	0.2866	0.2866	0.2866	0.2866	0.2866	0.2866	0.2866	0.2866	1	0.2866	0.2866	0.2866	0.2866	0.2866	0.4956	0.4937	1.3079	0.2866	0.2866	0.2866	0.2866	2.0086	1.1133	0.2866	0.2866	0.2866	0.2866	0.2866	0.2866	0.2866	0.2866	0.2866	0.2866
linoleoyl ethanolamide	Linoleoyl-EA	1.5674	0.8995	0.8095	0.6554	3.3841	1.7913	5.3753	3.4783	0.8028	0.9178	0.7325	0.3036	3.4894	5.6145	2.4556	2.2877	0.4384	1.9112	0.3036	0.3036	0.6063	0.9130	0.4648	8.1344	0.6010	1.3580	0.3985	0.5141	0.3036	2.4929	0.3036	5.4678	0.3036	1.4149	0.4772	0.8230	0.9106	0.6013	0.3036	1	0.4550	1.5958	0.7731	0.3036	3.7321	3.5095	2.0012	3.7650
lysine	Lysine	0.9357	1.6264	1.2094	1.2483	1.0646	0.6752	0.7956	1.4352	1.2214	1.2992	1.2233	1.2481	2.0822	1.9406	2.3272	0.4794	0.7255	0.9632	0.6943	0.9393	1.1169	1.2266	1.1449	2.4005	0.8720	0.7948	0.8026	0.8378	0.4664	1.0479	1.0368	1.4277	0.9597	0.8186	0.9180	0.7906	0.2711	0.2342	0.4320	0.3997	1.2744	0.9196	0.5519	0.5591	1.8672	1.7455	1.8408	1.0764
lysylleucine	Lys-Leu	0.0933	0.3431	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.9911	0.9124	1.3914	1.1679	3.5015	2.3009	1.1245	1.2639	2.6637	0.5336	1.8060	1.8210	0.9204	1.0731	0.8461	0.9119	0.2110	0.1264	1.0089	1.0296	0.9116	0.7976	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933	0.0933
malate	Malic acid	1.5196	1.2910	3.2691	2.6407	1.2486	0.9083	1.2485	2.5291	3.2790	3.3419	2.9216	0.9572	6.7555	6.2116	2.2672	0.1719	0.9541	0.9955	0.4733	0.5472	0.7714	0.7037	0.6794	0.9926	1.0394	1.0045	0.3727	0.9540	0.4679	0.7853	0.5348	0.9431	1.0605	1.0131	1.2511	1.0094	0.6582	0.4967	0.6549	0.5832	1.1903	0.7728	0.4882	0.6168	1.1799	1.0589	1.2436	1.8943
malonate	Malonic acid	0.9682	0.8250	0.9986	1.2328	0.9905	0.8203	1.0014	1.0880	1.1257	0.9709	1.0525	0.7700	1.3212	1.0624	1.7239	0.5814	1.1449	1.3677	0.7597	0.8214	0.8893	1.3903	1.0406	1.7010	1.4820	1.4426	0.8911	0.9688	0.8393	1.0021	0.9034	1.2499	0.9483	1.1230	0.9934	1.1005	0.7151	0.5810	1.0027	1.0722	0.8921	1.4321	0.9048	0.8499	0.8812	1.0693	0.9338	1.5610
malonylcarnitine	CAR DC3:0	0.6799	0.8847	0.6799	0.6799	0.6799	0.6799	0.6799	0.6799	1.1646	0.9402	0.6799	0.6799	1.4261	2.1380	0.7939	0.6799	0.7073	0.6799	0.6799	0.6799	0.6799	1	0.6799	0.6799	0.6799	0.6799	0.6799	0.6799	0.7507	0.6799	0.6799	0.6799	0.6799	0.9207	0.6799	0.6799	0.6799	0.6799	0.6799	0.6799	0.6799	0.6799	0.6799	0.6799	3.1639	3.4280	2.6462	2.7725
maltol sulfate		0.8734	0.1989	0.2722	0.1989	0.8056	0.8179	0.9854	0.6437	1.2550	0.7355	0.6067	0.1989	44.1691	48.7547	2.6055	0.7446	1.1330	2.3107	1.7632	3.1800	0.7698	0.8036	1	1.3415	0.7825	0.8564	3.1945	2.0874	0.1989	1.0746	1.0901	1.9693	4.1144	4.5146	7.7689	7.0476	0.1989	0.1989	0.1989	0.1989	0.1989	0.1989	0.1989	0.1989	0.4062	0.4887	0.4496	0.6399
mannitol/sorbitol	Sorbitol	0.1016	0.2801	0.4213	0.3662	0.0925	0.0584	0.1128	0.2532	0.3224	0.3140	0.2812	0.2123	0.8147	0.7621	1.1184	0.3728	0.6339	0.5655	0.2853	0.3300	3.4830	3.8794	1.4347	1.1675	0.9842	0.9973	0.4994	1.7961	0.4934	1.0027	0.8127	1.3006	5.9021	6.0240	5.4527	4.8298	3.1241	2.5240	2.0133	1.9719	1.0773	1.0702	1.0144	1.0424	2.1080	2.1745	2.0786	2.3737
mannose	Mannose	0.8295	0.5346	0.2192	0.2713	0.6485	0.6275	0.6168	0.8168	0.3515	0.9924	0.4322	0.3720	1.4752	0.7885	3.3908	0.4197	1.1044	0.9460	0.4698	0.6875	0.8712	1.0237	1.6942	1.8297	1.1099	0.9869	0.6524	1.0076	0.5992	1.0204	1.0674	1.1392	1.0467	0.8981	0.6032	0.4145	1.4953	1.0260	2.1056	3.0116	9.9046	7.7833	2.7074	3.5030	1.6463	1.3367	1.7138	1.3432
mannose 6-phosphate	Mannose 6-phosphate	0.7258	0.1593	1.1445	0.6302	0.1593	0.3919	0.1593	2.5268	0.1593	1.9515	1.2978	0.1593	8.5063	3.0486	2.1118	0.1593	1.7527	0.1593	0.1593	0.1593	1.1498	0.1593	0.1593	0.1593	0.1593	0.3198	0.1593	0.1593	0.2574	0.2561	0.8322	0.6270	1.1220	0.1593	1.1073	0.5237	0.8638	0.1593	0.6877	0.4268	4.3978	0.1593	0.7820	0.1593	2.0488	0.8927	2.6035	2.3788
margarate (17:0)	Margaric acid	1.1902	0.8920	0.7247	0.6423	2.4011	1.4677	3.3760	2.0624	0.6114	0.6061	0.6410	0.5824	1.4026	1.5504	1.0571	3.4631	0.8424	2.1832	1.3562	1.9318	0.9408	1.0473	0.9527	6.1323	1.1398	1.8509	1.8892	1.4672	0.6791	6.6145	1.2672	10.1923	0.5145	1.4018	1.2372	1.2247	0.5802	0.4862	0.4354	0.6815	0.6075	0.9509	0.8737	0.5439	0.7356	0.8104	0.4540	0.8371
margaroylcarnitine (C17)*	CAR 17:0	3.6093	0.2656	1	0.8146	4.0499	1.4815	3.3760	0.4314	1.4750	0.9357	0.7092	0.2656	17.9842	18.9414	0.7185	0.2656	0.4531	0.2656	0.2656	0.7566	0.7619	1.3271	1.0583	5.7455	0.5664	0.4943	0.8833	0.2656	0.2656	1.8979	1.6583	5.4916	0.2656	0.2656	0.2656	0.2656	0.6329	0.2656	0.2656	0.2656	0.2656	0.2656	0.2656	0.2656	0.2656	0.2656	0.2656	0.2656
mead acid (20:3n9)	ETrE(5Z,8Z,11Z)	0.8760	1.0754	0.3819	0.3933	1.8498	1.1343	2.8677	3.5442	0.4452	0.7643	0.6847	0.4347	0.8981	1.0765	5.0593	8.9265	1.2826	5.0331	0.9819	1.3188	2.2222	2.4903	0.8759	8.9307	2.1105	3.5373	0.8911	2.5149	0.4773	5.6717	1.2699	8.0684	0.7418	2.8380	1.0339	1.0181	0.7649	0.4667	0.3583	0.6829	0.7174	1.3188	0.8672	0.4291	0.4953	0.4759	0.2232	0.4797
methionine	Methionine	0.6661	1.4084	1.0512	1.1190	0.7415	0.5652	0.6036	1.1419	0.9454	1.1083	1.0145	0.9343	1.8666	1.7393	1.9659	0.5533	0.9429	1.2136	1.0512	1.2816	1.2568	1.3656	1.3462	1.7925	1.1901	1.1026	1.0479	0.9167	0.5976	0.9350	0.8150	1.1505	1.1229	0.9862	1.0875	0.9335	0.2425	0.2337	0.3334	0.3194	0.7536	0.5936	0.4052	0.4381	1.0246	0.9985	1.0015	0.6676
methionine sulfone	Methionine sulfone	1.9697	0.4989	2.2775	1.4470	1.4601	0.6902	1	1.0732	1.6999	1.4828	0.9474	0.4669	14.4785	12.7912	2.3719	0.6573	0.8476	1.2851	0.5562	1.0319	1.4200	1.2705	1.1004	2.1254	0.9521	0.8788	0.5942	2.1001	0.3564	0.5421	0.2518	1.1530	1.6135	1.7241	2.0692	2.1205	0.7371	0.5921	0.9342	0.9406	0.6413	0.9323	0.5591	0.6462	0.2518	0.2518	0.2518	0.6471
methionine sulfoxide	Methionine sulfoxide	0.8830	1.2552	1.0356	1.2443	0.9644	0.5159	0.8163	1.5486	1.1472	1.2297	0.9452	0.7369	1.1679	1.1054	1.9706	0.6651	1.0891	1.1623	0.6354	1.0991	1.4081	1.6964	1.1910	3.2273	1.2290	1.2572	0.8601	1.1195	0.5296	0.8450	0.8419	1.4254	1.5891	1.3855	1.2946	1.3407	0.1038	0.1166	0.1335	0.1382	0.2260	0.2169	0.1005	0.1241	0.3000	0.3368	0.3161	0.2777
methyl glucopyranoside (alpha + beta)	Methyl glucose	0.8027	0.3311	0.2728	0.3928	1.2563	1.2771	1.3084	0.5031	0.3011	0.4563	0.4135	0.2073	0.8501	0.7034	1.2874	2.1080	1.0334	1.4032	4.0997	6.6983	0.9225	1.3310	1.3925	2.7238	1.2687	1.4666	1.4341	2.8837	0.6617	4.0058	3.0710	4.3139	0.8581	1.2653	0.7336	0.9185	0.5014	0.5333	0.6654	0.6787	0.6701	0.9666	0.5435	0.9215	1.2422	1.2444	1.0623	1.3749
methylmalonate (MMA)	Methylmalonic acid	1.5494	0.1774	1.5265	1.1988	1.0560	1.7372	1.3278	1.0739	0.9396	0.1774	0.1774	0.1774	1.1579	0.1774	1.7338	0.1774	0.9440	0.6506	1.7127	0.1774	0.3817	0.4805	0.4211	0.3959	0.1774	0.3002	0.7031	0.7402	0.1774	0.4590	0.5871	0.4543	0.1774	0.1774	0.1774	0.1774	0.1774	0.1774	1.1323	0.1774	1.8214	1.6097	0.6417	0.1774	1.1826	0.9136	1.4252	1.3623
methylphosphate	Methanolphosphate	1.9466	1.4007	2.7014	2.0317	1.1668	0.5236	0.9840	2.8673	2.3691	3.8423	2.1505	0.9322	7.7058	4.6350	0.8576	0.3629	0.3777	0.5138	0.3483	0.4113	0.3757	0.8476	0.4690	1.7736	0.3443	0.4453	0.2555	0.5169	0.2242	1.0160	0.8322	1.0697	0.4440	0.5209	0.4288	0.5057	0.7535	0.8244	1.0478	1.1626	2.3974	2.9914	1.4296	1.7097	1.0339	1.3409	1.0458	1.5144
methylsuccinate	Methylsuccinic acid	1.4377	0.3142	1	0.8058	1.2536	1.0632	1.1074	0.3142	1.2197	0.9656	0.8986	0.5440	8.2719	7.4052	1.9740	0.7087	1.0206	1.1050	0.8339	0.9624	1.1490	1.1995	0.3142	0.3142	0.8336	0.8838	0.7674	1.2655	0.3142	0.8762	0.4985	0.8350	1.5580	1.4523	1.5194	1.2233	0.6128	0.5797	0.4589	0.4107	0.8116	0.7415	0.7074	0.3142	1.5831	1.5181	1.7223	1.6144
myo-inositol	Myo-inositol	0.9202	0.4188	2.0212	1.3385	0.9174	0.5804	0.6659	1.5468	2.5237	2.4482	2.1008	0.3535	34.0051	29	2.5193	0.5313	0.8790	1.0072	0.6335	0.8240	0.8316	0.9197	0.7095	1.0194	1.3037	1.3110	0.5664	1.7099	0.3940	1.2770	0.9928	2.2287	0.5799	0.5617	0.7780	0.6971	3.2096	2.3935	2.8544	2.8771	3.3145	3.4115	2.6099	2.7623	0.5075	0.5510	0.5406	0.9202
myristate (14:0)	Myristic acid	0.8617	0.8167	0.6626	0.5676	1.4495	1.1053	1.7850	2.8720	0.8208	0.9320	0.8636	0.5408	0.9539	0.9178	1.0461	1.7258	0.6465	1.2630	0.6324	0.8391	0.5759	0.5490	0.5669	2.8108	0.7501	1.1822	0.6087	0.9239	0.4897	3.3648	0.9139	4.9195	0.5043	1.0762	0.8834	0.8549	1.8302	1.5165	1.2893	1.6236	3.4789	4.9724	4.0717	2.6157	2.6782	2.8649	1.6592	3.0282
myristoleate (14:1n5)	Myristoleic acid	1.1821	0.5302	0.5519	0.5846	1.1426	0.9114	1.6462	1.5350	1.2182	1.4589	1.4792	0.2621	2.6063	2.3359	0.8351	0.5910	0.6468	0.6693	0.6128	0.5774	0.4771	0.4434	0.5665	1.7768	0.7952	0.8520	0.2809	0.6102	0.3194	1.0886	0.5463	1.2061	0.4372	0.4255	0.4055	0.5777	4.2334	4.0562	2.3651	2.1594	7.1089	7.1403	4.3458	4.2333	2.1698	2.1159	1.9405	1.6042
myristoylcarnitine (C14)	CAR 14:0	1.0638	0.4901	0.8859	0.7485	0.9605	0.4790	0.8072	0.7551	1.5813	0.9383	1.0395	0.2601	14.4828	19.7205	0.5651	0.2107	0.2107	0.2107	0.2107	0.2726	0.2107	0.2707	0.4267	1.4079	0.2107	0.2107	0.2107	0.2107	0.2107	0.9203	0.5885	2.4366	0.2684	0.2957	0.2107	0.4132	9.4082	5.4330	2.0015	2.2911	3.1349	3.7009	1.6462	2.4186	1.1876	1.0689	1.0658	1.5115
myristoyl dihydrosphingomyelin (d18:0/14:0)*	SM 18:0;O2/14:0	2.4284	1.3459	2.2125	2.2253	2.5154	1.3385	1.9058	1.5182	1.6528	1.7736	1.7434	0.9363	1.2066	1.1774	1.7599	0.3679	0.7519	1.0638	0.6598	0.7667	0.5562	0.6095	1.2457	2.0606	0.8792	0.8454	0.5077	1.2886	0.4516	0.5660	0.3696	0.5947	1.3828	1.4968	1.3846	1.2134	0.3140	0.2990	0.6262	0.5047	1.0637	1.1647	0.5399	0.6354	0.2702	0.2782	0.2495	0.2823
N(^1)-acetylspermidine	N1-Acetylspermidine	0.6205	0.2620	0.2948	0.3739	0.7048	0.2550	0.5956	0.3068	0.3416	0.4242	0.2823	0.1752	4.3401	5.4394	2.0414	1.0016	2.7391	0.9463	0.2923	0.4234	1.4118	1.8918	0.6757	0.7787	0.9984	0.9657	0.1594	0.3790	0.9088	0.7010	0.4780	1.0450	1.8345	1.9531	1.6116	1.9670	8.8974	11.2459	6.0089	6.7279	2.9768	4.3573	2.8174	3.9117	11.0911	12.6658	8.9258	8.7913
N(1)-acetylspermine	N1-Acetylspermine	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.2560	0.8342	0.6913	0.2560	0.4444	0.2560	0.2560	0.2560	0.2560	1.4199	1.8266	1.1828	1.1658
N1_N12-diacetylspermine	N1,N12-Diacetylspermine	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	0.1228	3.1881	4.0601	1.8486	2.2709	0.1228	0.2570	0.2705	0.3678	1.2227	1.4874	0.7773	0.6914
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH))		2.3853	0.4090	0.4063	0.4314	2.2961	1.8292	2.0408	0.3065	0.2771	0.1832	0.1832	0.3099	1.4040	1.4050	0.1832	0.1832	0.3605	0.4191	6.4729	6.7263	1.6899	1.6777	2.0340	5.5243	0.1832	0.1832	3.0402	1.0284	0.1832	0.6623	0.5098	1.0576	0.7280	0.6742	0.7174	0.7238	0.9479	0.9318	1.4530	1.3875	1	1.0202	0.6353	0.1832	0.1832	0.1832	0.1832	0.1832
N2_N2-dimethylguanosine	N2,N2-Dimethylguanosine	0.4094	0.4094	0.4094	0.4094	0.8220	0.4094	0.4094	0.7730	1.1780	1.4587	0.5299	0.4094	2.0772	1.7777	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094	0.4094
N6-acetyllysine	N6-Acetyllysine	1.0850	2.4661	0.9884	1.1350	1.4066	0.5141	0.3912	2.1078	1.3976	1.9610	1.7059	1.0116	1.6463	1.2241	2.7191	0.2524	0.6249	0.8710	0.3438	0.5500	1.2592	1.6020	1.0277	2.0630	0.6715	0.5514	0.6890	0.5264	0.2524	0.8246	0.6796	1.0335	0.5903	0.4738	0.4671	0.3699	0.4620	0.2524	0.6655	0.6398	1.9572	1.4223	1.0910	0.9344	1.9035	1.8880	2.2650	0.7674
N6-methyladenosine	N6-Methyladenosine	4.8625	4.0401	1.7474	1.4592	6.6964	2.8562	4.6954	3.7306	5.7846	4.2417	1.8075	3.3797	2.6131	1.8403	0.6709	0.3436	0.4899	0.4295	0.9287	1	0.8924	0.8915	0.3436	1.4836	0.3436	0.5551	0.3436	0.3436	0.3436	0.3436	0.3436	0.5037	0.9723	0.8209	0.9681	0.7508	0.3436	0.3436	0.3436	0.3436	1.7176	1.7366	0.5402	0.7608	0.9076	0.7854	0.9248	1.4935
N6-methyllysine	N(6)-Methyllysine	1.2307	1.8709	1.0701	1.2757	1.5904	0.7048	0.6628	1.5570	1.1248	1.4214	1.3190	1.2033	1.9733	1.8746	2.6134	0.1626	0.6096	0.9299	0.3739	0.4435	1.1613	1.3563	1.2645	1.9096	0.9149	0.6330	0.8328	0.5247	0.2462	0.7760	0.6513	1.1247	0.6078	0.4734	0.6474	0.5923	0.1568	0.1210	0.6006	0.4038	1.4400	1.3973	1.1280	0.7423	2.7177	2.4463	2.8752	0.8119
N6_N6-dimethyladenosine	N(6),N(6)-Dimethyladenosine	6.9299	3.5190	0.1076	0.3975	8.7852	2.8905	5.6188	3.5022	5.2846	3.8900	0.9997	2.8807	0.1076	0.1076	0.9410	0.1076	0.1076	0.1076	0.1076	0.1076	1.1365	0.9572	0.3714	2.3173	0.4585	0.1076	0.1076	0.1076	0.1076	0.1076	0.1076	0.1076	0.8585	0.7063	0.8697	0.5202	0.1076	0.1076	0.1076	0.1076	1.0003	1.2738	0.1076	0.1076	0.3716	0.1076	0.1076	0.3642
N6_N6-dimethyllysine	N(6),N(6)-Dimethyl-lysine	0.6774	2.0747	0.4484	0.4484	1.0992	0.4484	0.4484	1.1533	0.5494	0.9008	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	1.9874	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.4484	0.8898	0.8401	0.5971	0.4484	2.2134	1.8409	2.3971	0.4484
N6_N6_N6-trimethyllysine	N-6-Trimethyllysine	1.4486	2.7706	0.9381	0.9960	2.0189	0.7239	0.9004	1.3121	1.0443	1.0845	0.8146	1.4403	4.4274	3.8103	4.2930	0.2010	0.6852	0.9856	0.4326	0.6397	1.6222	1.5698	1.8532	3.5055	1.0950	0.8126	0.6595	0.7060	0.2561	0.7472	0.7179	1.5293	1.0040	0.8991	1.0128	0.7716	0.2234	0.1973	0.3431	0.3865	1.4854	1.3462	0.7713	0.7241	3.2840	3.2637	3.4054	2.5607
N-acetylalanine	N-Acetylalanine	1.0896	1.1459	1.3562	1.4576	1.0074	0.8970	0.9303	3.1134	2.7827	3.2471	2.5776	0.8748	5.2249	4.5050	3.0014	0.2873	1.0004	0.9996	0.8783	1.3442	0.9007	1.0033	0.8319	2.0086	0.9489	0.8884	0.5541	0.7097	0.5030	0.4931	0.5609	1.1177	0.9850	0.9396	1.0822	0.8724	0.3547	0.3016	0.3282	0.3633	1.6759	1.2340	0.5623	0.7337	1.9427	2.0543	1.9786	2.2795
N-acetylarginine	N-Acetylarginine	0.3856	0.8939	0.8530	1.1966	0.4369	0.3856	0.3856	0.9811	0.9060	0.8153	1.2232	0.4730	8.2251	11.4733	1.3347	0.3856	0.6289	0.8012	0.3856	0.9258	0.6776	0.8114	0.3856	2.1609	1.8348	2.0661	0.6002	0.6975	0.3856	1.1965	0.6027	2.1837	0.8052	1.1003	1.0189	1.1339	0.3856	0.3856	0.3856	0.3856	0.3856	0.3856	0.3856	0.3856	3.1094	3.9529	3.1442	3.5460
N-acetylasparagine	N-Acetylasparagine	0.5643	0.8970	1.8509	1.6527	0.6353	0.5777	0.5300	1.7570	2.2878	2.2562	1.7488	0.6497	18.5618	21.7312	1.3313	0.4407	1.1012	1.1215	0.3308	0.8872	0.3308	0.8992	0.4513	2.7704	1.7427	2.1176	0.5155	1.9643	0.6933	1.3139	0.7739	2.1610	1.8090	1.6922	2.2501	2.9153	0.3513	0.3997	0.3760	0.4166	0.4377	0.6579	0.5276	0.5154	1.1652	1.1880	0.8447	1
N-acetylaspartate (NAA)	N-Acetylaspartic acid	2.2271	0.0067	0.0211	0.0173	1.7455	1.3880	1.7082	0.0283	0.0418	0.0613	0.0470	0.0060	16.3590	17.3111	3.1460	0.3895	1.2235	1.3002	1.3058	1.3436	0.5439	0.6558	0.7605	1.0558	2.2819	2.2806	1.5228	0.7829	1.8010	0.9111	0.7950	0.9442	1.3829	1.3526	1.8786	1.7139	0.0506	0.0377	0.0624	0.0707	0.1436	0.1338	0.0786	0.0783	1.3010	1.2914	1.3058	2.4596
N-acetyl-aspartyl-glutamate (NAAG)	N-Acetyl-Asp-Glu	1.8761	0.0683	0.0683	0.0683	1.5516	1.4007	1.8300	0.1208	0.1996	0.3156	0.2287	0.0683	19.4574	19.1005	1.7728	0.1801	0.9829	1.6056	0.7766	1.1635	0.5589	0.6450	1.0625	0.9859	1.1307	1.0873	0.4976	0.5181	1.0121	1	0.8427	1.2157	1.8559	1.9336	1.9551	2.0071	0.3002	0.2474	0.3753	0.4690	0.8244	0.9901	0.3997	0.4529	6.7819	7.7806	6.4826	10.1907
N-acetylcysteine	N-Acetylcysteine	1.0304	2.2476	2.6217	3.4706	1.5411	1.2269	1.0301	1.7367	1.3119	1.6085	2.3926	1.6327	1.4600	2.0627	1.3525	0.1325	0.3368	0.4625	0.1737	0.3938	0.4760	0.5739	0.7318	2.4526	0.4686	0.6555	0.1295	0.2928	0.5483	0.4099	0.3147	0.9497	0.3627	0.4124	0.5997	0.6320	0.6604	0.5349	0.5380	0.9699	1.9679	3.1325	1.9304	2.4061	2.4186	2.4468	1.5497	2.9820
N-acetyl-glucosamine 1-phosphate	N-Acetylglucosamine 1-phosphate	1.6222	1.0128	0.9079	1.4009	1.5025	0.6478	0.8964	1.0026	1.7444	0.7753	0.9141	0.8863	1.1746	0.8822	1.2080	1.1676	2.0827	0.6065	3.1621	3.0972	0.7384	0.8503	1.7379	2.0397	3.9683	5.3692	0.9178	1.9671	2.4676	2.4383	1.4800	1.6286	0.5379	0.5026	0.5460	0.5878	0.4085	0.5725	1.4640	0.9974	0.7859	0.6077	1.3279	1.1316	0.3773	0.3730	0.4182	0.4437
N-acetylglucosamine 6-phosphate	N-Acetyl-glucosamine 6-phosphate	3.1970	2.5882	1.0469	1.3107	2.9198	1.3348	1.8459	1.3883	2.8198	1.0238	1.0245	2.3113	0.5981	0.2800	2.0875	0.1686	1.9560	1.1731	0.0608	0.1602	0.9762	1.0952	2.1566	3.3190	2.3550	2.0992	0.2409	0.7828	1.6805	1.6398	1.7238	2.6879	0.8502	0.7776	0.8751	0.7438	0.1929	0.1792	0.3705	0.2466	0.5633	0.4243	0.2417	0.1355	0.1883	0.1557	0.2037	0.2130
N-acetylglucosamine/N-acetylgalactosamine	N-Acetylhexosamine	1.0929	0.6512	0.9025	1.0268	1.2728	0.9962	1.0841	1.2548	1.0537	1.2802	1.1582	0.5109	0.9944	0.8725	1.7121	0.5208	0.6444	0.8043	0.8053	1.1140	0.8867	1.0038	0.9642	1.4822	0.9408	0.9079	0.4225	0.9410	0.6289	0.6366	0.4564	0.6939	0.6581	0.7682	0.5890	0.5614	1.5026	1.3364	1.8926	2.0740	3.6139	4.1434	2.1390	1.9661	1.9628	1.8593	1.8420	2.3569
N-acetylglucosaminylasparagine	Aspartylglycosamine	1.3880	0.6463	2.1954	1.9967	1.3088	1.1086	1.2252	1.2237	1.7879	1.9401	1.5432	0.5641	30.7285	31.3203	1.2820	0.1465	0.3891	0.4199	0.1465	0.1465	0.8522	0.9227	0.4511	0.9782	0.9263	1.0951	0.1465	0.5238	0.4707	0.1902	0.2297	0.5232	1.0218	0.8993	1.3295	1.2715	1.0592	0.7706	0.5879	0.8614	0.4828	0.7967	0.1465	0.3983	1.4148	1.8887	1.3864	2.2692
N-acetylglutamate	N-Acetylglutamic acid	1.1530	0.0996	0.2864	0.2633	1.1627	0.8748	1.2742	0.3120	0.4705	0.4902	0.3886	0.0826	9.9911	11.4061	2.0016	0.9216	1.9641	2.2407	0.6481	1.0947	0.7724	1.0301	0.7822	0.9778	4.5582	4.8406	1.0222	2.0690	1.2881	2.3106	1.8399	3.1118	3.1294	3.5756	4.3935	4.8703	0.0652	0.0544	0.1045	0.1554	0.2318	0.3048	0.1535	0.1905	0.9274	1.1321	0.8672	2.4298
N-acetylglutamine	N-Acetylglutamine	0.7482	0.9220	2.3180	2.3942	0.8411	0.6320	0.9800	1.7784	3.8234	3.3697	3.0352	0.7077	17.7832	19.4905	1.6664	0.5575	0.9758	0.8817	0.4644	0.6416	1.2149	1.5013	1.2052	2.0318	1.9772	2.6932	0.3285	0.9216	1.3026	1.0200	0.6354	1.1576	0.8144	0.9657	1.0701	1.1622	0.4672	0.4915	0.5808	0.5680	0.5848	0.6852	0.4971	0.5368	2.4612	3.2876	2.1286	5.0436
N-acetylhistidine	N-Acetylhistidine	1.6474	0.4336	0.5003	0.9531	1.7529	1.0320	1.2483	0.9680	0.4336	0.8660	0.9319	0.4336	4.8239	6.8563	1.1945	0.6791	0.4336	0.9571	0.8225	1.6796	0.4336	0.7355	0.6234	1.6993	1.5305	1.6116	0.4336	0.4336	0.8845	0.8551	0.4336	0.9273	0.4336	0.4336	0.4336	0.7434	0.4336	0.4336	0.4336	0.4336	0.4336	0.4336	0.4336	0.4336	2.4310	2.6405	1.7845	1.8118
N-acetylleucine	N-Acetylleucine	0.3391	0.4626	1.8752	0.9903	1.2792	0.3391	1	1.5964	1.1639	1.0490	0.7085	0.9682	4.9557	4.5577	1.0254	0.3391	0.3391	0.4761	0.3391	0.9316	0.6775	0.7666	1.5551	1.6421	0.4458	1.6339	0.6271	0.3391	0.3391	0.7734	0.3391	0.4660	0.3391	0.3391	0.7372	1.4723	0.3391	0.3391	0.3391	0.3391	0.3391	0.7179	0.9301	0.3391	1.2415	1.7873	1.0416	1.4181
N-acetylmethionine	N-Acetylmethionine	1.1871	1.5029	1.2645	1.3855	1.3222	0.9641	1.1582	2.3201	1.9977	2.1008	1.8415	0.9742	2.0118	1.6476	2.5980	0.3086	0.5549	0.8473	0.6195	0.9277	1.0258	1.2531	1.1486	2.0476	0.7056	0.7050	0.5612	0.7001	0.3255	0.3870	0.3759	0.8113	1.0346	0.8460	0.9442	0.7635	0.2543	0.2139	0.3284	0.3627	1.6770	1.2652	0.4372	0.6946	2.2613	2.4154	2.4030	2.0234
N-acetylmethionine sulfoxide	N-Acetylmethionine sulfoxide	1.6169	1.9959	1.7360	2.1611	2.0205	0.8590	1.7518	4.3161	3.3150	3.2022	2.6246	1.0993	1.1845	1.3248	2.3353	0.3759	0.5754	0.9765	0.3160	0.8746	1.2139	1.7854	0.9535	4.2233	0.9250	0.8977	0.5510	0.8891	0.4031	0.4444	0.4602	1.4237	1.4489	1.3750	1.1895	1.3268	0.1233	0.1689	0.1433	0.2034	0.5435	0.6081	0.1487	0.2345	0.8199	1.0235	0.7653	1.1449
N-acetylneuraminate	N-Acetylneuraminic acid	0.7417	0.7744	0.9829	1.0082	0.7981	0.6865	0.8621	1.0856	1.0807	1.1853	1.0316	0.5453	1.3644	1.2955	1.2589	0.4418	0.9333	0.7846	0.4685	0.6069	1.0058	1.0876	1.0745	1.4983	0.8453	0.8440	0.3326	0.7323	0.5186	0.9942	0.6921	0.9356	0.6663	0.7164	0.6553	0.6443	3.2451	2.6626	2.2825	2.5812	2.6192	2.5088	2.0317	2.0323	1.9487	2.1011	2.0453	3.0971
N-acetylphenylalanine	N-Acetylphenylalanine	1.0899	0.7651	1.1917	1.4277	0.7574	0.5435	0.9785	1.8639	1.0885	1.5732	1.6198	0.5084	3.6126	3.7817	1.7209	0.5084	0.9483	1.0334	0.9553	0.7590	1.0215	1.2943	0.5084	2.3462	0.8325	0.9130	0.5084	0.6941	0.5373	0.5360	0.7178	1.0561	1.4628	1.3637	1.3711	1.2105	0.5084	0.5084	0.5084	0.5084	0.5084	0.6343	0.5084	0.5084	0.5952	0.6373	0.7068	0.7171
N-acetylputrescine	N-Acetylputrescine	4.2411	0.4470	1	1.0449	4.6558	1.2936	1.4779	2.7948	3.3020	3.5736	3.2287	0.2409	1.1203	1.3310	0.4305	0.0658	0.0658	0.0717	0.0658	0.0658	0.0658	0.0658	0.1254	0.4594	0.0658	0.0658	0.1208	0.0658	0.1224	0.0658	0.0658	0.1360	0.0836	0.0658	0.0856	0.0967	2.0300	2.1934	1.5172	1.5672	0.9346	1.2720	0.8083	0.9760	1.1001	1.1752	0.9509	0.6481
N-acetylserine	N-Acetylserine	0.7152	0.4400	0.5073	0.4213	0.9803	0.8500	1.1153	0.5968	0.8469	0.7855	0.5945	0.3342	3.4354	3.4726	3.2962	1.2498	1.0197	2.5219	0.4147	0.8018	1.7180	2.0712	1.1501	1.2942	1.4970	1.3840	1.2720	2.2698	0.7710	0.9466	0.9367	1.4632	2.3263	2.3277	1.9540	1.8969	0.3270	0.2899	0.3501	0.3486	0.6016	0.7421	0.4083	0.3888	1.3001	1.2394	1.1366	1.1701
N-acetyltaurine	N-Acetyltaurine	1.2151	0.2066	1	0.7241	1.0959	0.9495	1.0985	1.1865	1.5971	1.7692	1.5142	0.1248	2.6407	2.0165	0.2536	0.1248	0.1248	0.1248	0.1248	0.1248	0.1248	0.1248	0.1248	0.2341	0.1248	0.1248	0.1248	0.1248	0.1248	0.1248	0.1248	0.2979	0.1248	0.1248	0.1248	0.1248	1.3538	0.9579	0.7050	0.7041	0.9253	0.7509	0.8060	0.9800	2.6898	2.8936	2.9314	5.9051
N-acetylthreonine	N-Acetylthreonine	0.6930	0.2532	0.3617	0.2803	1.0155	0.6706	1.0457	0.4294	0.5188	0.5220	0.3784	0.1705	6.0507	4.5484	6.4577	1.3501	1.0346	2.4960	0.5971	0.9990	1.3347	1.4067	0.6965	1.0010	1.2856	1.1267	2.4489	2.5535	0.4817	0.7545	0.7948	1.5060	1.8856	1.6967	1.6267	1.2693	0.3314	0.2476	0.2887	0.2876	0.6667	0.5535	0.2825	0.3009	2.8145	2.6218	3.0085	2.2028
NAD+	NAD	2.7158	1.3098	3.1041	3.2425	2.6081	2.3400	3.8127	1.1776	3.3479	1.4025	1.6693	1.0590	0.4938	0.4683	0.1540	0.0493	0.0750	0.0963	0.0493	0.0527	0.1080	0.1328	0.1066	0.1580	0.0724	0.0882	0.0493	0.0753	0.0493	0.0519	0.0493	0.0742	0.1269	0.1361	0.1259	0.1181	0.9410	0.8724	1.2623	1.8359	2.7887	4.3885	2.3643	3.0696	4.1184	5.9146	4.6741	5.4347
N-arachidonoyltaurine	N-Arachidonoyl taurine	1.0982	0.1389	0.1389	0.1389	2.4195	0.9018	4.5284	0.1389	0.1389	0.1389	0.1389	0.1389	0.5453	0.8947	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	1.2580	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389	0.1389
N-carbamoylaspartate	N-Carbamoylaspartic acid	0.2070	1.7151	4.5157	4.1413	0.2431	0.2973	0.7161	2.4342	2.6395	3.3883	4.2017	2.0247	7.3106	10.7617	1.1413	0.2070	0.4147	0.7015	0.2070	0.2070	0.5009	0.5267	0.6882	1.1460	0.8382	0.6510	0.2070	0.2070	0.9082	0.6489	0.5172	1	1.6299	1.4779	4.2481	3.8983	0.2070	0.2070	0.2070	0.2070	0.2070	0.2070	0.2070	0.2070	0.5159	0.6078	0.6306	3.4312
N-delta-acetylornithine	N(5)-Acetyl-ornithine	1.8991	0.5481	1.5149	1.1567	1.7809	0.8980	0.9891	0.8980	1.5868	1.3203	1.0551	0.5481	7.1863	6.1814	0.5481	0.5481	0.5481	0.5481	0.5481	0.5481	0.5481	0.6916	0.5481	1.1397	0.5481	0.5481	0.5481	0.9476	0.5481	0.5481	0.5481	0.5481	1.0127	1.0021	1.0906	1.2793	0.6570	0.5481	0.7528	0.8308	0.8811	0.9005	0.7650	0.8053	0.5481	0.5481	0.5619	1
nervonoylcarnitine (C24:1)*	CAR 24:1	3.7673	0.3340	0.3340	0.3340	3.6561	0.9163	1.1632	0.3340	0.3340	0.3340	0.3340	0.3340	1.7381	1.4120	0.8600	1.1445	0.3340	0.4613	0.9450	1.3939	0.3340	0.3340	0.5167	1.0986	0.3340	0.3340	1.0548	0.9192	0.3340	1.7322	0.8020	2.1670	0.3340	0.3340	0.3340	0.3340	1.2727	0.8363	0.9452	1.1011	0.5865	0.4377	0.3340	0.3571	0.3340	0.3340	0.3340	0.3340
N-formylmethionine	N-Formylmethionine	1.2620	0.7727	1.5769	1.3138	1.3771	0.9895	1.1687	1.1794	1.3791	1.3152	1.0917	0.5733	5.0348	4.7687	1.7297	0.1582	0.7253	0.7745	0.2642	0.3126	0.7629	0.8653	0.6399	0.6818	0.6100	0.6386	0.2832	0.7269	0.3249	0.3688	0.2674	0.3415	0.7087	0.7278	0.8565	0.7847	1.0503	1.0105	1.2876	1.4753	2.9486	3.6203	2.5077	2.9091	2.3501	2.6583	2.4818	3.0077
N-formylphenylalanine	N-Formylphenylalanine	0.5068	0.1896	0.8394	1.0762	0.4565	0.3582	0.5381	2.0107	1.1614	1.1779	1.1534	0.5787	1.1008	0.1896	2.2275	1.2653	1.0469	1.1060	0.4438	0.6052	1.5093	2.3139	0.9531	3.6362	1.5413	1.4699	0.8257	1.2821	0.5727	0.7438	0.8410	1.5453	1.8803	1.6191	1.4318	1.1833	0.1896	0.1896	0.1896	0.2255	0.2366	0.3061	0.1896	0.1896	0.3268	0.2869	0.2855	0.2278
N-glycolylneuraminate	N-Glycoloylneuraminic acid	0.7354	0.7102	1.2392	1.4236	0.7152	0.5897	0.5897	1.1592	1.2842	1.5019	1.2358	0.5897	3.2039	2.8261	1.3257	0.5897	0.7275	0.5897	0.5897	0.6200	0.5897	0.5897	0.5897	1.3992	0.7774	0.7629	0.5897	0.8862	0.5897	0.9821	0.5897	1.1422	0.5897	0.5897	0.5897	0.5897	0.5897	0.5897	0.5897	0.5897	1.2092	0.9386	0.5897	0.5897	0.9841	0.8990	1.0415	1
nicotinamide	Niacinamide	1.3501	0.8326	0.8874	0.7852	1.5096	1.2769	1.3200	1.0971	0.8049	1.2284	1.1087	0.5383	5.3465	5.5204	1.4886	0.2023	1.1382	1.1895	0.5865	0.9383	1.3311	1.7050	1.0672	1.4544	1.3717	1.4647	0.3675	1.1829	0.7015	0.8399	0.6210	1.0617	1.4520	1.5751	1.5219	1.6830	0.3495	0.2844	0.3080	0.3491	0.4656	0.2378	0.5412	0.5870	0.5197	0.4893	0.4699	0.4783
nicotinamide ribonucleotide (NMN)	Nicotinamide ribotide	1.1225	0.1547	0.1590	0.2751	1.3017	1.9686	2.8704	0.0838	0.1719	0.0673	0.0860	0.1315	0.0321	0.0328	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.0243	0.5986	0.6069	1.3816	1.5025	1.5143	2.5379	1	1.2497	1.6488	1.4834	1.5868	1.6047
nicotinamide riboside	Nicotinamide riboside	54.7766	9.4283	2.2685	0.7056	88.5390	21.6470	57.8441	0.1263	1.2397	0.3065	0.1263	1.7195	0.6290	0.6982	0.2472	0.1263	0.3421	0.2675	0.1263	0.3476	0.2831	0.6782	0.1263	0.9055	0.2300	0.2394	0.1263	0.4049	0.1263	0.3718	0.1911	0.4497	0.8589	1.0945	0.5011	0.7168	1.8209	2.1526	3.3274	3.2452	29.5778	84.6630	5.0852	5.2225	2.2300	2.2152	1.7672	1.6302
nisinate (24:6n3)	THA	1.7093	0.6989	0.6800	0.7231	3.5753	2.5603	5.1958	3.7066	0.5256	0.8121	0.7357	0.3051	1.7050	2.2064	1.8968	6.6879	1.7753	5.2273	4.4307	5.5980	0.8272	0.9378	0.9415	9.9915	2.1538	3.8923	2.8150	2.9623	0.5978	16.7954	3.4614	22.0348	0.3787	1.4566	1.1199	1.0585	0.6791	0.4339	0.3284	0.5652	0.3157	0.6647	0.4441	0.2075	0.1457	0.1470	0.0730	0.1375
N-monomethylarginine	Targinine	0.6453	0.7716	0.3712	0.3507	0.8742	0.5361	0.6922	0.4784	0.4767	0.3957	0.3063	0.6046	2.5118	2.2078	4.1043	1.0060	1.2019	1.8540	0.5573	0.9291	1.3926	1.4830	0.9940	1.5901	1.4293	1.2600	1.2989	1.6105	0.7896	1.8128	1.7154	2.1990	1.5860	1.3762	1.5362	1.3116	0.2202	0.1654	0.4424	0.3508	0.8374	0.8309	0.4948	0.4027	2.0752	1.9325	2.0514	1.2192
N_N_N-trimethyl-5-aminovalerate	N,N,N-trimethyl-5-aminovalerate	1.2192	0.4786	1.0954	1.0569	1.2038	0.6671	0.8736	0.8366	1.0116	1.0564	1.1097	0.3609	16.6996	16.2993	0.9884	0.5549	0.8559	1.2070	0.2749	0.3657	0.5000	0.6715	0.4502	0.3372	0.9099	0.8935	0.4096	1.4370	0.3037	0.8641	0.6743	0.9730	0.8118	0.6792	1.0508	0.8296	3.0441	2.5892	2.1244	2.3441	3.6466	4.0049	3.1650	3.3274	4.6325	5.0786	4.3482	6.2451
N_N_N-trimethyl-alanylproline betaine (TMAP)	N,N,N-Trimethyl-alanylproline betaine	1.0324	0.0381	0.3451	0.0381	0.9944	0.8412	1.0078	0.0381	0.4500	0.2080	0.4999	0.0381	6.5076	6.5104	2.3686	1.0150	1.3194	1.0299	0.4537	1.0819	1.0543	1.0435	1.0056	1.5470	1.8223	0.0381	0.0381	1.8630	0.2247	1.0387	0.0381	1.0345	0.6386	0.4188	0.7833	0.6816	0.6258	0.5548	0.4845	0.4816	0.5371	0.7330	0.0381	0.4237	2.0166	2.5183	0.0381	1.9638
N-oleoylserine	NA-Ser 18:1(9Z)	1	0.7929	0.3701	0.4148	2.3478	0.4585	3.0564	1.6961	0.3701	0.3701	0.3701	0.3701	1.1198	1.8301	0.3701	2.7406	0.3701	1.4697	0.3701	0.3701	0.5831	0.8130	0.3716	3.4529	0.8475	2.2719	0.3701	0.7683	0.3701	3.0403	0.3701	0.3701	0.3701	0.3701	0.3701	0.3701	0.3701	0.3701	0.3701	0.3701	0.3701	0.8216	0.3701	0.3701	0.3701	0.3701	0.3701	0.3701
N-oleoyltaurine	N-Oleoyl taurine	27.3898	1.6884	1.2924	1.2130	58.2884	23.6156	85.8810	5.7002	1.6225	1.3152	1.4793	0.6932	7.8142	11.5802	0.5064	2.0103	0.1162	1.0481	0.6359	0.9519	0.1162	0.1162	0.8857	20.9804	0.7725	1.7664	0.8539	0.2922	0.8369	1.4655	0.1162	4.5205	0.1162	0.4852	0.6423	0.7144	0.1162	0.1162	0.1162	0.1162	0.2748	0.5319	0.1162	0.1162	0.4545	0.5942	0.1891	0.7311
nonadecanoate (19:0)	Nonadecylic acid	1.2655	0.8629	0.6886	0.6893	2.4276	1.5971	3.8377	1.9353	0.6558	0.6535	0.6104	0.5847	1.5883	1.6029	1.2801	4.0156	0.8951	2.2723	1.9873	2.8468	0.7792	0.8810	0.7997	4.8102	0.9836	1.6116	2.3648	1.6604	0.7093	5.9935	1.4640	8.3701	0.4839	1.2739	1.0164	1.0833	0.9250	0.7668	0.6102	0.9525	0.9806	1.6395	1.4053	0.9180	0.8344	0.8679	0.4615	0.7948
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*	Cer 17:1;O2/16:0	1.5939	0.4456	0.4619	0.5000	1.7586	1.3167	1.7415	0.5855	0.6310	0.5897	0.5442	0.2964	1.9207	1.7303	2.0943	1.3792	0.8426	1.8035	1.4213	1.6985	1.5707	1.6516	1.4876	3.3200	1.0497	1.0278	1.6324	2.2010	0.5474	1.3008	0.9132	1.4303	1.4221	1.4166	1.0621	0.9722	0.2507	0.2472	0.3230	0.2830	0.5082	0.4902	0.3355	0.3566	0.1632	0.1684	0.1474	0.1447
N-palmitoyl-sphingadienine (d18:2/16:0)*	Cer 18:2;O2/16:0	2.4190	0.5430	1.0683	0.4361	0.6651	0.5555	0.7562	1.8710	2.6809	1.7118	1.6773	1.0744	1.1991	1.1153	1.4253	0.8607	0.5282	1.1185	1.0381	0.7817	0.5979	0.5300	0.7282	1.4895	0.6019	0.5957	0.9879	1.1068	0.7890	0.5678	1.5436	0.6742	0.7782	1.5819	2.0506	0.5832	2.6438	2.5861	2.6246	3.4107	1.4912	1.2736	0.9567	1.0121	0.0984	0.1204	0.0920	0.0945
N-palmitoyl-sphinganine (d18:0/16:0)	Cer 18:0;O2/16:0	13.5696	0.7597	1.1294	1.2940	14.4896	9.1122	14.0898	0.8145	0.7705	0.7875	0.7681	0.4341	2.7106	2.1922	2.5157	0.6568	0.6375	1.8693	3.0210	3.3674	1.9270	2.3515	3.1260	8.2773	0.9615	0.9228	2.6129	3.3452	0.2631	0.7930	0.4920	1.0385	2.4658	2.4402	2.1332	1.8389	0.2559	0.2353	1.1302	0.8209	0.8190	0.8561	0.3191	0.3453	0.1524	0.1701	0.1411	0.1792
N-palmitoyl-sphingosine (d18:1/16:0)	Cer 18:1;O2/16:0	2.9736	0.5960	0.5897	0.6459	3.1189	2.3546	2.9415	0.7936	0.7994	0.7116	0.6603	0.4232	1.4818	1.3393	1.7088	0.9735	0.7426	1.3696	1.3316	1.5600	1.5807	1.7521	1.4215	3.0824	0.9030	0.9172	1.2766	1.6039	0.5235	0.9935	0.7816	1.0676	1.5077	1.4833	1.2042	1.0803	0.7883	0.6933	1.0065	0.9447	1.2222	1.3327	0.9396	0.8720	0.5321	0.5626	0.5485	0.4780
N-palmitoyltaurine	N-Palmitoyl taurine	9.1160	0.1357	0.1357	0.1672	20.5154	7.8718	27.8502	0.9210	0.1357	0.1357	0.1357	0.1357	1	1.8100	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	1.4403	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.1357	0.3595	0.1357	0.1357	0.5139	0.5435	0.2865	1.7378
N-stearoyl-sphingadienine (d18:2/18:0)*	Cer 18:2;O2/18:0	2.6174	0.3969	0.4162	0.4312	2.7159	1.8225	2.4372	0.5282	0.6152	0.5439	0.4372	0.2216	1.0031	0.9242	1.0002	0.5747	0.3749	0.9874	1.1835	1.3491	1.1669	1.3481	0.9998	3.1513	0.4856	0.4260	1.3866	1.2707	0.2318	0.9462	0.6913	1.1555	1.0737	1.0589	0.8818	0.7544	2.1474	1.8638	2.7103	2.7802	2.0699	2.2779	1.8388	1.7019	0.1096	0.1311	0.1414	0.0986
N-stearoyl-sphinganine (d18:0/18:0)*	Cer 18:0;O2/18:0	34.0344	0.5524	0.8346	0.9292	37.1172	22.2543	33.8049	0.6199	0.5797	0.6186	0.5240	0.1568	2.0357	1.6567	1.0662	0.2488	0.1194	0.7638	2.6447	3.2695	2.0485	2.0928	2.1460	8.3239	0.3267	0.2926	2.2836	1.6492	0.1194	0.4358	0.1194	0.9338	1.2924	1.2630	1.2396	1.2175	0.1194	0.1194	0.9034	0.5874	0.6211	0.8266	0.1194	0.1194	0.1194	0.1194	0.1194	0.1194
N-stearoyl-sphingosine (d18:1/18:0)*	Cer 18:1;O2/18:0	8.3234	0.4228	0.4470	0.4955	8.7426	6.1606	8.2230	0.5586	0.5897	0.5405	0.4922	0.2832	1.1849	0.9894	1.0135	0.4185	0.3266	0.7838	1.4318	1.6461	1.5433	1.7518	1.1686	4.3486	0.4225	0.4490	1.3908	1.2366	0.2026	0.8111	0.5509	0.9670	1.0106	1.0217	0.8003	0.6865	1.2834	1.1306	2.0068	1.8096	2.2775	2.3289	1.6325	1.6020	0.3181	0.3209	0.3132	0.2384
N-stearoyltaurine	N-Stearoyl taurine	16.1437	1.2688	0.9559	1	35.0675	15.2810	49.0157	5.0871	1.2942	1.3675	1.2701	0.5194	2.9517	3.6369	0.3879	0.6461	0.1639	0.1639	0.1639	0.1639	0.1639	0.1639	0.2795	4.7722	0.1846	0.5564	0.1639	0.1639	0.3098	0.9738	0.1639	2.8602	0.1639	0.1639	0.1639	0.4059	0.1639	0.1639	0.2190	0.3775	0.8671	1.6574	0.7098	0.3992	1.7816	1.9611	0.8308	5.1282
octanoylcarnitine (C8)	CAR 8:0	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	16.5724	21.7126	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	1	0.3040	0.3040	0.3040	0.3040	3.1948	1.8281	0.5992	0.5860	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.3040	0.6023
oleate/vaccenate (18:1)	Oleic acid	0.7897	0.4147	0.2408	0.2488	1.5478	1.0566	2.0543	1.5747	0.3015	0.4003	0.3496	0.1894	0.8682	0.8696	1.5774	3.7526	0.9107	2.2015	1.1900	1.6590	0.7546	0.8423	0.6309	3.8794	1.2734	1.8966	0.9520	1.6736	0.3086	4.9163	1.2550	5.9415	0.3534	1.1002	0.7174	0.6794	1.1525	0.7400	0.5487	0.8261	1.1479	1.7764	1.1918	0.6733	1.0480	1.1499	0.5944	1.0750
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	DG 18:1_20:4	0.8448	0.6069	0.4443	0.3724	0.8438	0.7098	1.4564	0.4359	0.3670	0.4247	0.3630	0.3669	0.9975	0.8291	1.3601	1.0463	1.4607	1.5822	2.2125	2.1983	0.8270	1.0025	1.1964	1.4087	1.3141	1.2907	2.0395	1.8102	0.7211	1.9701	1.2080	2.1161	1.2417	1.2472	1.0948	0.9922	0.8626	0.7515	0.6243	0.5659	1.2511	1.3273	1.0890	1.0440	0.6997	0.6606	0.6708	0.4987
oleoylcarnitine (C18:1)	CAR 18:1	4.8165	0.9981	0.9390	0.8716	5.3389	2.4628	4.8643	0.4700	1.5811	0.4627	0.6832	0.7872	38.5952	49.8752	0.6632	1.6829	0.6703	0.7503	1.4159	1.7859	0.9589	1.1759	1.4505	7.2934	0.8451	0.9423	1.2956	0.4756	0.3882	5.1118	3.1321	9.5899	0.7407	0.9389	1.0019	1.3255	7.3395	5.1523	1.6107	1.7512	0.8418	1.3916	0.5832	0.5941	0.3457	0.3210	0.3091	0.3448
oleoylcholine	Oleoylcholine	0.9841	0.4617	0.4617	0.4617	1.1454	0.5693	1.7841	0.4617	0.4617	0.4617	0.4617	0.4617	2.0321	1.8548	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	0.4617	1	0.6478	0.5245	0.5213	1.6918	2.1609	0.8487	0.6605	1.1393	1.2613	0.9410	1.0713
oleoyl ethanolamide	Oleoyl-EA	1.0612	0.9973	0.5620	0.5325	3.0443	1.5652	3.7715	2.2492	0.6624	0.7826	0.7770	0.4633	1.2915	2.5251	1.0654	2.5962	0.3943	1.5497	0.3219	0.6370	0.4427	0.4905	0.6061	5.2168	1.0027	1.3846	0.5083	0.6630	0.2617	2.8956	0.4365	3.8146	0.3624	1.1031	0.6580	0.8061	1.2704	1.2154	0.6017	1.2560	0.7503	1.7847	1.1258	0.4703	1.5156	1.6888	0.8824	2.1105
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	DG 18:1_18:2	1.0089	0.6378	0.5870	0.6276	1.0837	0.9987	1.6910	0.5314	0.5845	0.5656	0.5540	0.3914	1.5541	1.3999	0.9500	1.4450	1.8578	1.7607	1.7971	1.8902	0.7760	0.8841	1.0013	1.8695	1.7506	1.7806	1.1931	1.7298	0.7624	2.0927	1.3064	1.8682	0.8715	0.8709	0.6778	0.6566	1.1980	0.9371	0.8714	0.8963	1.8147	1.7327	1.4710	1.5809	0.5997	0.6082	0.5891	0.5256
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*	DG 18:1_18:1	0.5817	0.2084	0.1176	0.1176	0.6656	0.5230	1.1698	0.1945	0.2848	0.2818	0.1526	0.1176	0.8527	0.7195	1.6784	1.5897	2.0566	2.1030	2.0822	2.1516	0.9925	0.8509	0.9219	1.8685	1.8999	1.6927	0.9003	2.7392	0.3432	1.9444	1.2450	2.1164	1.0972	1.0075	0.7621	0.6536	1.2272	0.8842	0.8116	0.6957	2.1935	2.5414	1.3879	1.3818	1.0979	0.9111	1.0700	0.6117
O-methyltyrosine	O-Methyltyrosine	0.6974	0.7705	0.9566	1.2004	0.6554	0.4337	0.5626	1.0343	1.2758	0.9406	1.3393	0.6557	1.4626	2.0708	0.6502	1.7555	1.1120	2.5667	2.3004	2.1919	0.7018	1.0844	0.9886	0.7834	1.4149	1.5838	1.8924	3.2100	0.7862	1.8176	1.0628	0.6650	1.1252	1.8532	0.8458	1.2108	0.4808	0.4135	0.1843	0.2715	0.6518	0.7816	0.2648	0.4413	1.0114	1.0431	0.8805	1.0838
ophthalmate	Ophthalmic acid	0.9647	0.0635	0.0647	0.0635	1.0445	1.3728	2.5197	0.0635	0.0635	0.0635	0.0635	0.0635	4.7941	5.7141	0.8935	0.0715	1.1490	0.6514	0.2749	0.3985	0.0635	0.0635	0.0635	0.0635	2.7783	2.9984	0.1006	1.0739	0.5110	0.5699	0.4083	0.7161	1.0353	1.0442	1.1219	1.2254	0.0635	0.0635	0.0635	0.0635	0.0635	0.0635	0.0635	0.0635	0.0635	0.0635	0.0635	0.0635
ornithine	Ornithine	4.8410	0.5224	0.7951	0.6529	5.1498	2.8189	3.2458	0.7974	1.5396	0.7661	0.5787	0.4437	5.0480	5.0638	0.9862	0.4142	0.4813	0.8847	0.5975	0.7714	0.3132	0.3590	0.4952	0.6795	0.3047	0.3142	0.4825	0.7918	0.2567	0.8982	0.6451	1.1960	1.1569	1.0138	1.1148	1.0823	3.2934	2.9909	8.5807	6.7457	6.1126	8.6935	6.0973	4.0050	1.1385	1.0667	1.1563	2.0162
orotate	Orotic acid	0.2615	2.6108	3.0929	4.3548	0.4533	0.3886	0.4294	1.6281	0.2172	1.1686	5.4986	1.6026	3.3273	5.0444	3.2455	0.1122	0.4560	0.9265	0.0414	0.0737	0.9312	1.0688	0.7664	2.1804	0.5367	0.4869	0.0471	0.2424	0.7077	0.5391	0.4952	1.1874	1.6409	1.5480	3.6174	3.2539	0.3951	0.2384	0.3631	0.4849	1.8597	1.7072	0.8656	1.4880	1.9337	1.8860	1.9151	7.5306
orotidine	Orotidine	7.1784	0.3600	1.3125	1	6.2194	5.8390	6.7297	1.1546	1.6188	1.7904	1.2212	0.2864	8.1443	7.6998	2.3304	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.2807	0.1749	0.4995	0.4056	0.3539	0.1402	0.1402	0.2270	0.1402	0.1402	0.1402	0.1402	0.1402	0.3026	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.1402	0.5621	0.5288	0.5753	1.1176
O-sulfo-L-tyrosine	Sulfotyrosine	0.3680	1.6302	1.9723	2.2430	0.3680	0.6888	0.5853	2.5041	2.3981	2.3525	2.2796	1.0463	1.5457	0.3680	1.4649	0.3680	0.3680	0.3680	0.3680	0.3680	0.3680	0.3680	0.3680	2.7752	0.3680	0.3680	0.3680	0.3680	0.3680	0.3680	0.3680	0.6313	0.3680	0.3680	0.3680	0.3680	0.7514	0.3680	0.7116	0.7367	0.9221	1.0013	0.6679	0.3680	0.6631	0.7566	0.7435	1
o-Tyrosine	o-Tyrosine	0.3451	1.0348	0.7052	0.6119	0.3451	0.5122	0.6158	0.7116	1	0.8294	0.7284	0.6556	1.6599	1.8886	2.1843	0.3451	1.1479	1.7748	0.5462	0.3451	1.4214	1.7267	1.0188	2.2463	1.3718	1.4089	0.3451	1.2369	0.8095	0.3451	0.3451	0.7467	1.7670	1.6001	1.4073	1.2395	0.3668	0.3451	0.3506	0.3451	0.3451	0.3451	0.5118	0.3451	1.0776	0.9037	0.8235	0.4000
palmitate (16:0)	Palmitic acid	0.7705	0.7709	0.5907	0.5095	1.5774	1.0242	1.9751	2.4688	0.6533	0.7108	0.6767	0.4717	0.9909	0.9445	1.0916	2.3770	0.5348	1.4781	0.8948	1.1770	0.5497	0.5713	0.6362	3.0400	0.7933	1.3513	1.1672	1.0170	0.5033	3.5233	0.9401	4.4046	0.3779	1.0697	0.9352	0.9601	1.1725	0.8749	0.7480	1.1124	1.5195	2.1511	1.7988	1.0091	1.3538	1.3876	0.7715	1.5567
palmitoleate (16:1n7)	Palmitoleic acid	0.5551	0.3945	0.2537	0.2449	1.0884	0.7386	1.5813	2.1439	0.4692	0.6132	0.5413	0.2121	0.8059	0.7758	1.1145	2.7298	0.7036	1.4760	0.9985	1.4059	0.4405	0.4752	0.6652	4.7472	1.0313	1.5932	0.6742	1.0015	0.3366	5.3603	1.0074	8.1664	0.2991	0.7072	0.5268	0.5326	1.6749	1.2319	0.9300	1.1375	2.0377	3.4044	1.8820	1.1376	1.5789	1.6071	0.9315	1.1170
palmitoleoylcarnitine (C16:1)*	CAR 16:1	2.3942	0.5843	1.1121	0.9472	1.7525	1.3119	1.7172	0.6821	1.9605	0.8261	0.8672	0.7117	64.8358	90.8882	0.4969	0.8963	0.5198	0.3959	0.7619	1.0057	0.5065	0.6055	1.0195	3.5393	0.2829	0.6845	0.6202	0.2829	0.2829	2.5020	1.7530	6.4540	0.9943	0.9305	1.2871	2.0134	15.0110	8.7748	2.8516	2.8970	1.8434	2.5182	0.9163	1.0093	0.4744	0.3979	0.3307	0.3769
palmitoleoyl ethanolamide*	Palmitoleoyl-EA	0.4203	0.4203	0.4203	0.4203	0.4762	0.5393	0.4203	0.7450	0.6453	0.4203	0.4203	0.4203	1.4787	1.6005	1.6421	0.4203	0.4203	0.4203	0.4203	0.4203	0.4203	0.4203	0.6113	0.7758	0.4203	0.4203	0.4203	0.4203	0.4203	0.4203	0.4203	0.4203	0.4203	0.6395	0.4642	0.4203	2.2708	2.1301	1	0.9575	1.5189	1.4625	0.4203	0.7144	5.4521	4.4579	5.5400	2.8357
palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]*	DG 16:1_18:1	0.2896	0.4300	0.2365	0.2365	0.3390	0.2365	0.6193	0.4533	0.4690	0.4570	0.6337	0.2365	0.8838	0.8905	1.0689	0.9240	0.2365	1.2606	0.2365	1.2092	0.2672	0.2365	0.8491	1.4445	1.1501	1.3231	0.5499	1.1206	0.2365	1.4774	0.7575	1.1977	0.4296	0.4888	0.2827	0.3427	5.8974	3.8047	2.5128	1.0534	7.4386	8.9910	3.8638	4.1633	1.9430	2.1818	2.0840	1
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*	DG 16:0_20:4	0.7904	0.3041	0.3041	0.9298	1.2002	1.5712	2.2104	0.3041	0.3041	0.7288	0.3041	0.7099	0.3041	0.8090	0.4043	1.3163	1	1.0701	0.3041	0.3041	0.3041	0.3041	0.3041	0.3041	0.3041	0.3041	0.3041	1.6531	0.3041	0.3041	0.6265	0.3041	0.6367	0.3041	1.2421	0.3041	0.6132	0.3041	0.7806	0.3041	2.1898	2.5162	2.5582	1.9318	1.2399	1.5072	0.8898	0.9199
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*	DG 16:0_20:4	0.8730	0.8737	0.5970	0.7103	0.9062	0.8347	2.0163	0.7241	0.7093	0.7334	0.6725	0.5786	1.2853	1.1103	1.2500	0.6897	0.8960	1.2092	1.1206	1.1958	0.4059	0.4228	0.7141	1.1137	0.7195	0.7076	1.7742	1.3595	0.3108	0.7559	0.4803	0.9879	1.4614	1.2843	1.3779	1.1977	1.1540	0.9610	1.0121	0.8116	2.5585	2.7143	2.6128	2.4755	1.5505	1.6253	1.4594	1.3925
palmitoylcarnitine (C16)	CAR 16:0	2.9295	0.9978	1.8582	1.4059	3.0401	1.0686	1.9183	1.2925	3.3004	1.8298	1.5607	0.7891	24.1706	25.1355	0.6783	0.5626	0.3935	0.3938	0.6604	0.8390	0.8879	1.0378	1.1453	3.9325	0.4888	0.5122	0.9564	0.3789	0.3471	2.1220	1.5247	5.3691	0.5674	0.6577	0.8097	0.9010	2.7734	1.9282	1.0022	1.1851	1.0039	1.4123	0.6243	0.7026	0.4610	0.4317	0.4067	0.6284
palmitoylcholine	Palmitoylcholine	1.2849	0.5673	0.5673	0.5673	1.2633	0.5855	1.3637	0.6828	0.6786	1.0091	0.7910	0.5673	2.5598	2.3804	0.5673	0.5673	0.5673	0.5673	0.5673	0.5673	0.5673	0.5673	0.5673	0.9982	0.5673	0.5673	0.5673	0.5673	0.5673	0.5673	0.5673	0.5673	0.5673	0.5673	0.5673	0.5673	1.0609	0.9672	0.7924	0.7089	1.6337	1.8295	0.9419	1.0018	0.5673	0.8647	0.5673	1.8710
palmitoyl-dihomo-linolenoyl-glycerol (16:0/20:3n3 or 6) [2]*		0.4611	0.3062	0.5179	0.5301	0.3714	0.2898	0.5076	0.2534	0.2870	0.3752	0.3855	0.2212	1.3469	0.9987	1.4384	0.8081	1.0852	1.5742	1.7117	1.8510	0.5993	0.6610	0.7669	1.7568	1.2078	1.1927	2.3665	1.6929	0.5804	1.8087	0.9785	1.9265	1.2468	1.2075	1.2869	0.9879	0.2667	0.2090	0.2090	0.2090	1.6802	1.7482	1.3530	1.4390	0.9694	1.1317	1.0504	1.0013
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	SM 18:0;O2/16:0	1.7396	1.0470	1.5727	1.6448	1.8389	1.0583	1.7814	1.1326	1.1406	1.2480	1.2721	0.7728	1.0904	0.9960	1.4255	0.4011	0.7627	1.3016	1.1295	1.3038	0.4444	0.4689	1.0857	1.4036	0.8498	0.8750	1.0040	1.4051	0.5187	0.5360	0.4104	0.6243	1.3955	1.4380	1.4181	1.3859	0.1969	0.1843	0.4131	0.3688	0.6269	0.6789	0.4166	0.4222	0.2494	0.2486	0.2426	0.2888
palmitoyl ethanolamide	Palmitoyl-EA	1.1546	0.9356	0.8893	0.9859	1.1942	1.0001	1.4864	1.3492	1.3902	1.2623	1.3320	0.6532	2.2749	2.0205	1.5193	0.5228	0.6502	0.8427	0.4239	0.5792	0.7527	0.9404	0.9560	1.2842	0.7230	0.6720	1.0493	0.6361	0.3361	0.5685	0.5825	0.6898	0.9999	1.0329	0.9033	0.8871	2.0919	1.6355	1.0950	1.0828	1.4462	1.4743	0.9154	0.9972	3.7891	3.4265	3.9246	3.9250
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	DG 16:0_18:2	0.9050	0.7056	0.8160	0.7480	0.7365	0.4621	2.1146	0.5698	0.6229	0.9197	0.7460	0.3131	2.1671	1.8477	1.5846	0.8291	0.5427	1.4907	2.9133	1.8549	0.4151	0.7181	1.1502	2.3342	1.6511	1.6717	1.1742	1.5598	0.2624	2.1163	1	2.3588	0.9864	0.7596	1.2263	1.1078	0.2624	0.9691	1.0943	0.8345	2.5941	2.9532	2.6904	2.9551	0.9971	0.8609	1.0122	0.8767
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*	DG 16:0_18:1	0.4991	0.3581	0.2912	0.3346	0.5904	0.4663	1.2312	0.4679	0.3756	0.4505	0.4675	0.1176	1.1404	0.8451	1.3474	0.5767	0.9352	1.1037	1.1502	1.1605	0.4971	0.5889	0.6764	1.5342	0.9027	0.7758	0.7538	1.4643	0.2240	1.1246	0.6180	1.3482	1.0826	1.0568	0.9432	0.7957	1.4711	1.0884	1.5602	1.2462	4.3479	4.7065	2.9777	3.2164	1.5973	1.5468	1.6008	1.3288
palmitoyl sphingomyelin (d18:1/16:0)	SM 18:1;O2/16:0	1.1414	0.9524	0.9469	0.9949	1.1877	0.9198	1.1412	1.0278	1.0132	1.0349	1.0293	0.8052	0.9164	0.8633	1.4406	0.8172	1.0666	1.1744	1.0651	1.0734	1.2214	1.2605	1.0718	1.2011	0.9863	1.0051	0.9566	1.1769	0.7604	1.0630	0.9019	1.0151	1.2559	1.2780	1.0985	1.0502	0.3052	0.2889	0.3500	0.3407	0.6091	0.6213	0.5597	0.5661	0.7074	0.7225	0.7086	0.7120
palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0)	EPC 18:1;O2/16:0	1.1742	0.8300	0.8620	0.9684	1.3673	0.7516	0.9908	1.2407	1.1781	1.1203	1.1064	0.6497	1.0407	1.1784	1.5659	0.8276	1.0622	1.1870	0.7315	0.7466	1.4799	1.4244	1	1.5298	1.1655	1.0654	0.5514	0.8233	0.6732	1.0902	0.7991	1.0130	1.4475	1.5018	1.3410	1.1990	0.1364	0.1364	0.1364	0.1364	0.3351	0.3218	0.3461	0.3998	0.6162	0.4461	0.5350	0.5961
pantetheine	Pantetheine	5.7623	2.6096	2.1100	2.5519	5.4999	4.2325	5.3799	2.1335	2.7731	1.8113	1.8864	1.9802	4.0178	4.0462	1.1901	0.5479	0.7172	0.8632	1.1848	0.9594	0.8116	0.7459	1.0099	1.8613	0.7320	0.7379	0.3829	0.6220	0.8043	0.9026	0.8746	1.7919	0.5843	0.6624	0.7038	0.7623	0.5217	0.5920	0.9901	1.2637	4.5888	6.0769	3.3357	4.1315	0.2725	0.3603	0.2594	0.3733
pantothenate (Vitamin B5)	Pantothenic acid	0.9585	1.0273	3.9003	2.7776	0.9064	0.7794	1.2405	1.7494	3.3908	3.2437	2.2394	0.7456	9.6145	11.4674	0.8861	0.1334	0.3043	0.4849	0.2014	0.2789	0.3764	0.4404	0.2287	0.4949	0.4885	0.5226	0.2328	0.7291	0.2453	0.2609	0.2011	0.4484	0.9281	0.9909	1.2288	1.2294	1.1583	1.0091	1.1173	1.2300	3.7562	4.1979	2.8531	3.2335	2.1438	2.4275	1.8694	3.9632
p-cresol sulfate	p-Cresol sulfate	0.6722	0.8493	0.9423	0.9934	0.7084	0.7334	1.0399	0.7053	1.0066	0.6952	0.8604	0.5684	6.3994	6.2668	4.1311	3.9136	1.1309	2.0418	1.1975	1.7523	2.8289	3.0685	0.9270	1.6864	1.5927	1.7221	1.9801	4.6462	0.7510	1.2164	1.0349	1.4916	1.5330	1.6480	1.1101	1.1586	0.6967	0.7069	0.5594	0.5025	0.6558	0.6586	0.5288	0.6179	0.5323	0.6348	0.5434	0.8315
penicillin G	Penicillin G	0.0685	2.4725	1.5588	2.2548	0.0685	0.0685	0.0685	2.0851	2.5867	2.9043	3.1601	1.6134	7.5764	8.3092	1.0315	0.0685	0.4167	0.4355	0.0710	0.1772	0.2279	0.3282	1.1057	4.0569	1.1499	1.3100	2.7353	0.0950	0.9685	0.2596	0.1541	0.3168	0.2090	0.2363	0.1619	0.2060	0.6154	0.6695	0.3032	0.3524	1.2001	1.6456	0.5348	0.5981	1.5763	1.7015	1.2461	2.3322
pentadecanoate (15:0)	Pentadecylic acid	1.1214	1.0023	0.8430	0.7282	2.2820	1.6011	2.8255	3.0728	0.7448	0.8115	0.8212	0.7097	1.1575	1.2584	0.9807	3.5169	0.7798	1.7290	1.0822	1.4899	0.7048	0.7465	0.7441	4.0447	0.9816	1.6023	1.3046	1.1397	0.7244	5.0157	1.3061	6.6451	0.4585	1.2485	0.9374	0.9902	0.8842	0.7098	0.6513	0.9977	0.8612	1.5294	1.4158	0.8389	0.8835	1.0113	0.5240	1.1178
phenol red	Phenolsulfonphthalein	1.3459	1.0179	1.0096	1.2698	1.4262	1.2110	1.4014	1.1348	1.1222	0.9904	1.3122	0.5063	2.1080	1.9940	1.2434	0.3181	0.6572	0.8670	0.6774	1.2295	1.1488	1.2937	0.4043	1.7113	0.3162	0.3596	0.8003	0.4009	0.1317	0.8225	0.5878	1.1162	1.1396	1.1240	0.9466	0.8617	0.4353	0.4783	0.4877	0.4331	0.8983	0.9289	0.6299	0.7252	1.3795	1.4735	1.4423	1.9967
phenol sulfate	Phenyl hydrogen sulfate	1.2953	0.9822	0.8727	0.8911	1.4579	1.7282	2.9080	1.2548	1.7749	1.3266	1.2369	0.7016	18.8989	17.7438	1.0673	1.1305	0.5302	2.2004	0.6316	1.0178	1.5978	1.6825	0.6535	2.3323	0.9652	0.9777	2.6762	6.1648	1.2013	0.5075	0.4182	0.7086	2.0804	2.0886	1.8352	1.7274	0.1610	0.1821	0.1088	0.1186	0.1377	0.1667	0.1343	0.1499	0.0770	0.0800	0.0804	0.1164
phenylacetylglycine	Phenylacetylglycine	3.6139	0.2895	1.6186	1.4024	3.0857	3.2035	3.8561	0.7783	1.2510	1.4255	1.1672	0.3671	19.4812	17.0291	1.1055	0.2473	1.0317	0.9683	0.5066	0.9082	1.2701	1.3622	0.2267	0.8194	0.5268	0.5927	1.6251	0.6075	0.2500	0.8507	0.6410	1.5792	2.2589	2.2582	2.6069	2.4298	1.0444	0.9173	0.6932	0.6927	0.7793	0.8511	1.2219	1.1720	0.7902	0.8700	0.8406	0.8224
phenylalanine	Phenylalanine	0.6474	0.9384	0.8000	0.8925	0.7379	0.5177	0.6356	0.8807	0.7598	0.8345	0.8056	0.6648	1.9182	1.8692	2.2888	0.9658	1.1843	1.6780	0.9494	1.2161	1.1841	1.3264	1.0342	1.6134	1.3379	1.2617	1.1780	1.4238	0.7611	1.2518	1.0758	1.3134	1.5062	1.4250	1.3633	1.2556	0.2405	0.2133	0.3744	0.3624	0.8210	0.7612	0.4795	0.4683	1.2281	1.2469	1.2248	0.8538
phenylalanylalanine	Phe-Ala	0.3073	2.1725	0.2560	0.6972	0.8995	0.4468	0.4720	0.3344	0.2547	0.1884	0.3193	1.3136	0.2794	0.4175	2.2244	3.1529	4.1365	3.4478	6.1656	4.1665	6.0750	6.7009	7.8435	1.4084	6.2269	6.3887	3.2060	2.6430	3.3830	2.9918	1.6365	1.1005	4.0979	4.4351	4.2125	3.9798	0.0997	0.1047	0.1894	0.1356	0.2019	0.1803	0.3789	0.4544	0.5799	0.7760	0.4254	0.2479
phenylalanylglycine	Phe-Gly	0.3051	1.8389	0.4070	0.9074	0.7527	0.3627	0.4690	0.4328	0.3016	0.2519	0.3788	1.1712	0.6232	0.7364	3.0104	1.8148	2.9498	2.8939	2.1987	2.0604	2.7972	3.0243	3.7107	1.5549	3.6767	3.8074	1.4675	1.9908	1.9923	2.5342	1.5025	1.0926	2.9973	2.9811	2.7881	2.6872	0.0490	0.0617	0.1335	0.1257	0.3244	0.2115	0.2840	0.3224	0.7747	0.8692	0.7081	0.2593
phenyllactate (PLA)	Phenyllactic acid	0.0752	0.0752	0.0752	0.0752	0.0752	0.0987	0.0752	0.0752	0.0752	0.1539	0.0752	0.0752	1.8741	2.1080	1.1672	0.1850	0.3466	0.4260	0.0752	0.2147	0.3465	0.4477	0.2496	0.5148	0.3180	0.3707	0.0752	0.6120	0.0752	0.1924	0.2559	0.5456	0.9781	1.0219	1.1053	1.2502	2.7513	2.3368	1.3362	1.6923	4.5755	4.2078	1.3777	1.8167	9.6600	12.9049	10.2155	21.6917
phenylpyruvate	Phenylpyruvic acid	0.0987	0.0987	0.1171	0.1199	0.0987	0.0987	0.0987	0.2082	0.1962	0.1804	0.1427	0.0987	2.8034	2.2409	5.8625	0.7887	1.8138	2.3247	0.3447	0.4058	1.8121	2.7071	1.2360	1.0548	2.6635	2.9347	2.6535	4.7652	0.3052	0.8522	0.7387	1.3205	1.4254	1.2392	1.3338	0.8264	0.4333	0.2762	0.4323	0.3333	1	0.6850	0.3300	0.2959	15.7515	12.8231	19.0921	7.6470
phosphate	Phosphoric acid	1.1636	1.0036	0.9472	1.0198	1.1516	0.8445	1.1104	0.9600	0.8749	0.9964	0.9733	0.7356	1.1658	1.1396	1.5376	0.6814	1.1671	1.1632	0.9711	0.8655	0.9757	1.0987	1.0359	1.2355	1.2171	1.2671	0.8284	1.0764	0.7631	1.0350	0.7561	0.8385	0.9877	0.8925	0.8842	0.8139	0.7016	0.8708	0.8774	0.8060	1.3235	1.2704	0.9551	1.0087	1.1033	1.2137	1.1626	1.0805
phosphocholine	Choline phosphate	2.1228	0.7801	1.9669	1.5835	2.0837	1.4884	2.0087	3.3006	4.2102	4.4187	3.4207	0.6729	5.7770	5.5452	1.2273	0.3375	0.3567	0.7748	0.3316	0.4070	0.4036	0.4297	0.4415	0.6669	0.6584	0.6625	0.4761	0.9891	0.6381	0.3422	0.3129	0.5454	0.8579	0.8048	0.7937	0.7270	1.4875	1.2630	1.8091	2.2817	3.3371	3.2722	2.0866	2.2194	1.0109	1.0599	0.9548	2.1946
phosphoenolpyruvate (PEP)	Phosphoenolpyruvic acid	6.7435	4.5656	3.8111	3.2035	5.5925	3.2592	5.8469	5.6817	9.1125	5.9856	3.6540	3.4223	0.0096	0.0096	0.7005	0.0611	0.2340	0.3623	0.0096	0.0638	0.6979	0.7785	0.2663	2.2635	0.2402	0.2525	0.0283	0.1566	0.1423	0.1753	0.1868	0.5115	0.7667	0.7803	0.9151	0.8499	1.5134	1.3641	1.0849	1.3829	2.4648	2.4434	0.7059	0.8209	2.9613	3.0523	3.1024	5.2669
phosphoethanolamine (PE)	Phosphoethanolamine	0.8859	0.4245	0.2881	0.1984	0.8114	0.3215	0.2638	0.3213	0.4620	0.2510	0.1915	0.3378	42.1640	40.7038	3.4369	1.5007	2.8360	2.3056	0.9533	1.2856	1.0229	1.0905	1.3019	1.4510	4.4300	4.5465	1.1077	3.8689	0.8980	3.5744	3.1231	5.3181	0.9771	0.8883	1.2386	1.0977	0.2962	0.2912	0.2108	0.2078	0.0856	0.0749	0.0869	0.0622	1.4272	1.4199	1.3914	3.4593
phosphopantetheine	Pantetheine 4'-phosphate	4.9439	4.0488	0.9736	0.9234	5.8125	2.7685	4.6172	1.8167	2.6213	1.2926	0.7176	2.1043	1.1564	0.8403	5.7706	0.1173	1.0479	1.4542	0.2129	0.2479	0.8846	1.0480	0.9907	2.3277	1.0093	1.2012	0.2062	0.7367	0.5682	1.1738	0.7688	2.6236	0.4743	0.5222	0.5493	0.4886	0.3180	0.3220	0.9141	0.9522	3.1477	3.6845	2.0793	2.1065	0.5855	0.8490	0.5456	1.9735
phytosphingosine	Phytosphingosine	0.5592	0.7821	0.7329	0.9400	0.6008	0.4910	0.7079	0.9550	0.9640	1.1711	1.0508	0.5100	3.3889	2.9937	3.0585	0.6653	1.1045	1.1392	0.5416	0.5675	1.7807	1.7877	1.5388	2.6417	1.1368	1.1826	0.4723	0.9849	0.7785	0.9362	0.5431	1.0151	1.4461	1.5088	1.1781	1.0455	0.5507	0.4914	0.6017	0.5718	1.8621	1.9485	0.8629	0.9818	2.0423	2.1972	1.9024	2.0526
pipecolate	Pipecolic acid	0.2656	1.4949	1.2453	1.3193	0.8818	0.6877	0.4367	2.2482	2.4727	2.4421	1.5717	1.3457	4.0941	3.1534	1.1351	0.2656	0.2656	0.6900	0.2656	0.2656	0.7888	0.5027	0.2656	1.8070	0.2656	0.2656	0.2656	0.2656	0.2656	0.2656	0.3516	1.4552	1	0.8719	0.9158	0.7473	0.5803	0.9549	0.5424	0.7093	0.6691	1.2126	0.3521	0.7135	1.8240	1.4598	1.5446	2.3985
proline	Proline	0.7646	1.1161	0.8732	0.8217	0.8469	0.6248	0.7177	0.8739	0.8780	0.8538	0.7260	0.8099	4.6392	4.3242	2.5155	0.6926	1.1433	1.3375	0.7337	1.0020	1.4128	1.5364	1.2879	1.8779	1.1681	1.1375	0.9980	1.1132	0.6672	0.9179	1.0287	1.5304	1.3408	1.1935	1.2849	1.1514	0.6750	0.5534	0.5296	0.5414	0.6704	0.6408	0.4922	0.5518	1.1757	1.1979	1.1737	1.0974
prolylglycine	Pro-Gly	0.8706	1.1090	0.8774	1.2747	1.4808	0.5545	0.6202	1.1062	0.6737	0.9466	1.1260	0.6890	1.2344	1.5430	2.0816	0.9278	0.9569	1.5009	1.1326	1.4078	1.0272	1.1120	0.8809	1.4007	1.3315	1.2982	1.0074	1.1636	0.5547	0.6857	0.5649	0.9312	1.0455	1	0.9129	0.9821	0.1469	0.1469	0.1469	0.1469	0.6997	0.8073	0.4730	0.5163	1.3928	1.4206	1.1923	0.8532
propionylcarnitine (C3)	CAR 3:0	1.0079	0.6909	1.5617	1.3688	0.9281	0.7173	0.7766	0.3923	0.5566	0.5632	0.5775	0.5352	9.2780	12.9095	1.7969	0.6971	1.2040	0.9151	0.8022	0.9921	0.4042	0.4679	1.1052	1.0403	1.4631	1.7025	0.5512	0.6423	0.5873	1.8610	1.4169	2.8435	1.2349	1.2381	1.2874	1.4421	0.9703	0.7916	0.7015	0.8222	1.3028	1.3977	0.6855	0.8298	1.7150	1.8581	1.5750	2.5302
pseudouridine	Pseudouridine	4.5819	1.6065	2.0944	1.1390	5.0525	1.7251	3.6378	2.6545	7.7033	5.3350	2.6270	1.8573	2.0230	2.7436	1.7351	0.4467	0.4030	0.7437	0.5989	0.7061	0.9565	1.0048	0.5748	1.4681	0.9012	0.7649	0.3535	0.6914	0.2104	0.3651	0.2816	0.5409	1.4668	1.3581	1.3328	1.0748	0.6957	0.6340	0.3355	0.4772	3.1167	2.1926	0.3822	0.6802	1.1208	0.9325	0.9691	0.9952
pterin	Pterin	0.5534	0.5534	0.5534	0.6301	0.5534	0.5534	0.5534	1.1941	0.9620	1.1176	1.0991	0.5534	3.7273	3.8340	1.0543	0.5534	0.5534	0.5534	0.5534	0.5534	0.8750	0.8712	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.5534	0.6382	0.6122	0.5534	1.0380	0.5534	0.5534	0.5534	0.5534
putrescine	Putrescine	1.9119	0.2098	0.5369	0.5486	1.5969	0.3416	0.3168	0.7931	1.2766	1.2138	1.0183	0.2098	6.3847	6.1689	1	0.2098	0.2098	0.2098	0.2098	0.2098	0.2098	0.2098	0.2098	0.4618	0.2098	0.2098	0.2098	0.2098	0.2098	0.2098	0.2098	0.2098	0.2098	0.2098	0.2098	0.2098	0.4036	0.4712	0.2725	0.3349	0.2098	0.2098	0.2098	0.2098	5.2459	6.2255	5.5492	2.4656
pyridoxal	Pyridoxal	0.5883	0.6034	1.2413	1.3990	0.5589	0.6519	0.5832	1.0447	0.8761	1.4671	1.3031	0.4004	4.4842	4.7761	1.3676	0.5132	0.9663	1.0949	0.7536	0.9837	1.1584	1.4367	0.7987	1.1094	0.9453	1.0836	0.4297	1.0163	0.4511	0.8698	0.5830	1.3042	1.0316	1.1027	0.9128	0.9307	0.9274	0.6641	0.9298	0.9300	1.6888	2.1310	1.4000	1.4827	1.2085	1.3131	0.9739	1.2101
pyridoxal phosphate	Pyridoxal 5'-phosphate	0.8933	1.1549	1.0884	0.9557	1.1383	1.0193	0.9611	2.1425	2.8419	2.1808	2.1812	0.7415	0.2304	1.1956	0.2304	0.2304	0.2304	0.2304	0.2304	0.2304	0.2304	0.4172	0.2304	0.2304	0.2304	0.2304	0.2304	0.2304	0.2304	0.2304	0.2304	0.2304	0.2304	0.3660	0.2304	0.2304	0.6258	0.2304	0.5916	0.2304	0.2304	0.2304	0.2304	0.2304	0.9698	1.2628	0.9807	1.1610
pyridoxamine	Pyridoxamine	0.6687	0.4250	1.3529	1.1786	0.6100	0.4254	0.5889	1.0162	1.0201	1.5963	1.2191	0.2734	3.6046	3.3580	1.2917	0.3156	0.8108	0.9838	0.4280	0.5640	1.0955	1.0206	0.6000	0.8111	0.7672	0.7601	0.2657	0.8728	0.3482	0.9178	0.7522	1.1398	0.5309	0.5573	0.5457	0.6047	1.0666	1.2248	1.3051	1.1744	2.9844	3.8671	1.9066	2.2038	1.3681	1.4688	1.1597	1.3736
pyridoxamine phosphate	Pyridoxamine 5'-phosphate	1.5743	0.5039	0.6754	0.9324	1.2458	1.3783	1.3584	1.2056	1.1813	1.2207	1.1933	0.3324	0.9687	1.7859	1.3886	0.5213	0.6622	0.8417	0.3563	0.2917	1.0201	1.2824	0.5135	0.8917	0.4408	0.6054	0.6742	1.0041	0.3489	0.4310	0.3050	0.4603	0.9289	1.0740	0.7769	0.7852	1.1559	0.9959	1.0469	1.0817	1.6854	1.7355	1.3448	1.4306	0.8928	1.2481	1.0378	1.3977
pyridoxate	4-Pyridoxic acid	0.6821	0.4831	0.4831	0.9073	0.4831	0.4831	0.4831	0.7676	0.8956	0.4831	1.1354	0.4831	3.5061	2.5737	6.1706	0.4831	1.6858	2.8735	0.6131	0.4831	2.3912	2.6985	0.4831	0.4831	0.4831	0.8110	0.7663	2.5655	0.4831	0.4831	0.4831	0.7099	2.1771	1.9120	1.3041	1.4165	0.4831	0.4831	0.4831	0.4831	0.4831	0.8677	0.5477	0.4831	0.8291	0.7579	0.7924	1.0927
pyridoxine (Vitamin B6)	Pyridoxine	0.2948	1.1791	1.4339	1.8278	0.2948	0.2948	0.2948	1.0258	1.4025	1.2150	1.5551	0.6212	5.4846	5.7152	1.2002	0.2948	0.9662	0.9843	0.5685	1.2402	0.6335	0.8122	0.2948	0.8028	0.4403	0.5321	1.1645	0.4236	0.2948	1	0.6015	1.1937	1.7682	1.7521	2.0899	1.8905	0.2948	0.2948	0.4220	0.2962	0.2948	0.5017	0.4408	0.4036	0.9786	1.1670	0.9305	2.1832
pyroglutamine*	Pyroglutamine	1.1307	0.4865	1.2178	0.9336	1.1392	0.9486	0.9912	0.6743	0.9608	0.8418	0.6986	0.3639	8.4227	7.7106	1.1102	0.6188	1.0088	1.2923	0.7231	1.0681	0.9052	0.9859	0.5480	0.6502	0.9706	1.0651	0.5679	1.4725	0.4994	1.1178	0.7764	1.3719	1.3814	1.6090	1.6847	1.9179	1.0715	1.0383	0.9183	1.1788	0.6422	0.8276	0.7390	0.8460	3.7496	3.9688	3.5094	3.6268
pyruvate	Pyruvic acid	0.8998	1.5470	2.1864	1.6834	0.7958	0.6105	0.9485	1.9548	2.3271	2.8573	1.9952	1.2775	8.0318	6.7317	0.9091	0.0855	0.3593	0.3853	0.0855	0.3386	0.5656	1.1456	0.4635	2.1291	0.5396	0.7335	0.1351	0.2738	0.1811	0.2892	0.2788	0.6917	0.5414	0.7148	0.6304	0.5956	1.1437	1	1.3318	1.9455	1.9409	5.8341	1.3720	1.5476	3.0337	2.6736	2.9469	3.1268
(R)-3-hydroxybutyrylcarnitine	CAR 4:0;3OH	1.7606	0.4185	0.7487	0.8032	1.6156	1.3281	1.5870	1.0172	0.8145	0.8242	0.6546	0.5333	4.1450	4.4441	1.3007	0.8205	0.9598	0.8054	0.6988	0.6263	1.2489	0.8769	0.8883	0.9828	0.8785	0.6176	0.8578	1.2906	0.3649	1.2614	1.4109	1.2304	0.7861	0.5527	0.9316	0.7710	1.6451	1.2197	1.2450	1.1729	1.2139	1.1652	1.0815	0.9269	2.2585	2.3346	2.2275	2.8458
retinol (Vitamin A)	Retinol	0.7873	0.6929	1.0519	0.8169	0.7655	0.5791	0.8495	0.5049	0.5342	0.9963	0.7613	0.5483	2.2591	1.6483	0.8557	0.7060	0.5410	0.7510	5.1382	4.1472	0.5049	0.5049	2.2415	3.0312	1.0067	1.1111	3.8884	0.6066	2.2193	1.6886	1.0037	2.4608	0.5049	0.5049	0.5049	0.5049	1.1893	0.9554	1.2393	1.1440	1.9539	1.6235	1.4206	1.5896	0.6725	0.5900	0.7272	0.7309
ribitol	Ribitol	0.7341	0.1261	0.5515	0.3314	0.4235	0.4320	0.4623	0.3241	0.3606	0.4436	0.2245	0.1555	23.5817	17.4832	3.4572	1.2447	0.4083	0.4991	0.1962	0.3302	4.0352	4.3224	1.6587	1.7177	2.8465	2.3379	0.9300	3.7299	0.2248	0.7175	0.4338	0.8962	4.7329	4.7128	5.4941	4.5481	2.5882	2.3493	1.8510	1.5011	1.0291	0.9709	0.7074	0.7215	1.7493	1.6833	1.7040	1.4444
riboflavin (Vitamin B2)	Riboflavin	1.4370	1.1099	0.5795	0.5026	1.9273	0.7532	1.3985	0.4689	0.6453	0.5653	0.4815	0.7974	0.9516	0.8010	3.6433	1.0938	1.9184	2.6101	1.0302	1.1382	1.0041	1.1803	1.4867	2.3067	1.3564	1.3324	1.8098	2.2195	0.6202	1.5199	1.0741	1.6388	1.3052	1.0164	0.9254	0.6998	0.5118	0.5200	0.5918	0.6486	0.9959	1.3843	0.6294	0.6255	0.7130	0.7820	0.7888	0.8749
ribonate	Ribonic acid	0.4716	0.5424	1.2696	1.0922	0.5417	0.3821	0.4750	0.9436	1.6430	1.6297	1.0913	0.3427	19.1962	17.5439	1.3251	0.3779	0.9099	0.6016	0.4349	0.4856	0.7785	0.8554	0.8836	2.0186	1.1871	1.0976	0.4461	0.3675	0.4704	1.3127	1.0564	1.6222	0.8606	1.1641	1.4742	1.3602	0.5158	0.5757	0.4080	0.6943	1.6159	1.5770	1.0649	0.9210	1.2341	1.3071	1.3903	2.4393
ribose	Ribose	2.6726	0.9833	2.3635	1.8854	1.6705	0.8852	1.2165	2.9756	2.0688	3.1789	1.6856	0.7110	7.9399	3.3584	2.9152	0.2537	1.6524	0.9206	0.5188	0.7243	0.5136	0.6665	1.0864	2.0741	1.7164	1.3933	0.2988	0.7521	0.4518	0.6191	0.6812	1.0821	1.0223	0.9364	1.0635	0.7429	0.4059	0.2644	0.8630	0.6751	3.1278	3.2365	1.0438	1.0167	0.4492	0.3362	0.5370	0.3939
ribose 1-phosphate	Ribose 1-phosphate	2.2162	1.3209	5.1669	4.6073	1.2240	0.4643	0.9509	2.7169	3.3114	4.2209	3.8351	0.6436	10.8573	14.5319	0.5204	0.1242	0.8006	0.1838	0.8996	0.7855	0.6300	0.2049	1.2108	1.3014	0.3393	0.4360	0.1242	0.1242	0.1476	0.9441	0.4213	0.6870	0.2779	0.1899	0.2549	0.2182	0.5023	1.0887	1.8312	1.0491	1.7076	0.2274	1.9223	2.1576	1.7836	2.6916	2.3429	4.7413
ribulonate/xylulonate/lyxonate*		0.6934	0.3240	0.3240	0.9723	0.7142	0.3240	0.7003	0.7165	1.0357	0.7675	1.0116	0.3240	6.7875	6.3662	1.3590	0.3240	0.3240	0.3240	0.3240	0.3240	0.3240	0.5908	0.3240	0.3240	0.3240	0.3240	0.3240	0.3240	0.3240	0.3240	0.3240	0.5128	0.8842	0.7735	1	1.0769	0.4808	0.3240	0.3240	0.3240	1.1115	1.3873	0.3240	0.3240	1.4524	1.4221	1.6697	1.5140
ribulose/xylulose 5-phosphate	Ribulose 5-phosphate	3.5357	1.9725	11.7544	5.2904	0.7745	0.3210	0.2637	9.1381	10.2527	12.3661	6.8461	1.7922	56.1154	24.3623	2.4266	0.1000	1.1508	0.1000	0.4405	0.1000	0.6062	0.1000	0.8346	1.4224	0.8389	0.7963	0.1000	0.2436	0.1000	0.4084	0.6151	0.9869	1.5667	0.6501	2.4247	0.7742	0.1842	0.1000	0.1000	0.1000	1.0131	0.1000	0.1000	0.1000	0.1000	0.1000	0.1000	0.2385
S-(1_2-dicarboxyethyl)glutathione		0.5611	0.2690	1.9587	1.0605	0.2741	0.2690	0.2704	0.7103	0.9948	1.3816	1.0052	0.2690	18.3467	15.3175	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690	0.2690
S-1-pyrroline-5-carboxylate	1-Pyrroline-5-carboxylic acid	0.3445	1.0209	0.6339	0.4209	0.5885	0.6270	0.9162	0.4965	0.8715	0.2900	0.4405	0.6830	6.6553	5.6860	1.4953	0.2900	1.2739	0.7191	0.2900	0.2900	0.8541	0.2900	1.4293	1.4330	0.7945	1.0923	0.2900	0.7657	0.5148	0.8988	0.2900	0.7592	0.9940	0.8492	1.0060	0.9628	21.5897	19.1621	38.8618	32.6021	41.3345	42.9212	40.5548	34.0095	7.6282	9.7783	7.0874	14.4661
(S)-3-hydroxybutyrylcarnitine	CAR 4:0;3OH	2.9466	0.4790	0.7983	0.9190	3.1976	2.4358	2.4366	0.7262	0.8508	0.8544	0.8916	0.4790	18.9936	17.4545	1.2876	0.9321	0.7935	0.9553	0.4790	0.4790	0.6677	0.6687	0.9493	0.8878	1.0065	0.4790	0.7001	1.0237	0.4790	1	0.7728	0.9066	0.8277	0.9602	0.6002	0.7608	2.9709	2.3030	1.9246	2.3128	2.8600	2.9560	2.2947	2.3950	1.7924	1.9691	2.0586	3.3214
S-adenosylhomocysteine (SAH)	S-Adenosylhomocysteine	2.4549	1.3449	2.1788	2.0686	2.4399	1.8188	2.7891	2.1132	2.3963	2.7987	2.7470	0.8124	5.1250	4.2737	1.4317	0.4003	0.7852	0.9106	0.2882	0.5670	0.7443	0.9536	0.5929	1.4490	0.6654	0.7457	0.3923	0.7299	0.3760	0.5170	0.4345	1.0464	0.7432	0.7999	0.8031	0.7372	0.5085	0.5059	0.6312	0.6861	1.9268	1.9217	1.2163	1.4211	1.0738	1.3977	1.1495	1.8324
S-adenosylmethionine (SAM)	S-Adenosylmethionine	0.2962	0.2962	3.2352	2.1605	0.4011	0.2962	0.2962	0.6191	1.8761	1.7930	1.5097	0.3325	30.1646	34.3502	0.2962	1	0.2962	0.2962	0.2962	0.2962	0.2962	0.2962	0.2962	0.8352	0.3947	0.2962	0.2962	0.4550	0.2962	0.3116	0.2962	0.2962	0.2962	0.2962	0.5888	0.2962	0.2962	0.2962	0.2962	0.3330	4.2471	6.0280	1.4062	2.0992	0.2962	0.5371	0.6001	3.6075
sedoheptulose	Glucoheptulose	0.2822	0.1666	0.1666	0.1666	0.2572	0.1666	0.3281	0.1666	0.1666	0.1666	0.1666	0.1666	0.3653	0.1666	0.6180	0.1666	0.1666	0.1666	0.1666	0.1666	0.1666	0.1666	0.2587	0.5776	0.1666	0.1666	0.1666	0.1666	0.1666	0.1666	0.1666	0.1666	0.1666	0.1666	0.1666	0.1666	2.2294	2.1220	6.8818	9.2750	27.2092	32.5137	14.2363	12.8608	0.9916	0.7520	1.0084	1.0410
sedoheptulose-7-phosphate	Sedoheptulose 7-phosphate	0.9978	0.6132	1.1927	1.0126	0.9094	0.5939	0.9909	1.5204	1.2091	1.7098	1.4051	0.3957	3.6719	2.2752	1.8505	0.2289	1.3492	1.0199	0.2914	0.4764	0.7850	0.8307	0.9530	0.8777	1.0022	0.9863	0.3313	0.6946	0.4174	0.6771	0.7530	0.8265	0.6677	0.5936	0.6180	0.5326	1.7412	1.4892	2.7794	3.1568	8.0651	5.1490	3.7330	2.9970	11.7379	11.8390	12.6370	15.0813
serine	Serine	0.6137	1.1084	0.6878	0.7021	0.7264	0.5226	0.6426	0.7769	0.6641	0.7081	0.5901	0.8021	1.8533	1.7067	3.3609	0.9497	1.1903	1.7701	0.5833	0.9588	1.2700	1.3579	1.0412	1.8019	1.3616	1.2196	1.1897	1.4521	0.7212	1.4154	1.3558	1.7202	1.5419	1.3735	1.4229	1.2173	0.2086	0.1849	0.3225	0.2889	0.7519	0.6826	0.4026	0.3772	1.4753	1.4377	1.5539	0.9174
serotonin	Serotonin	0.2269	1.1108	1.3143	1.2580	0.2269	0.2269	0.2269	0.7996	1.1754	1.6158	1.5213	0.8892	1.4352	1.7061	0.3404	0.2269	0.2269	0.2269	0.2269	0.2269	0.2269	0.2269	0.2269	0.2269	0.2269	0.2269	0.2269	0.2269	0.2269	0.2269	0.2269	0.3359	0.2269	0.2269	0.2269	0.2269	0.2269	0.2611	0.6458	0.7765	2.2681	3.0220	1.1483	1.6493	0.5650	0.6032	0.3736	0.5444
spermidine	Spermidine	3.5943	2.5754	3.9693	2.5709	3.2183	3.4700	3.2100	3.5510	7.3688	5.0002	2.9656	4.4517	14.4551	13.3986	0.9770	0.1006	0.2453	0.1877	0.1059	0.1121	0.2017	0.2066	0.3177	1.3602	0.4762	0.4394	0.0559	0.1634	0.2300	0.2048	0.2738	0.8412	0.3559	0.3287	0.5100	0.5236	1.5960	0.7635	1.4537	1.6718	1.6303	1.6544	0.7305	0.6379	1.0230	1.1017	1.0395	2.8243
spermine	Spermine	0.7192	13.1206	4.4033	3.8056	1.5941	3.3582	0.9818	2.7119	4.5987	2.5623	1.7092	12.4151	0.7921	0.8715	1.5881	0.1801	0.1870	0.4631	0.1942	0.2667	2.0187	1.8874	0.5707	11.1602	0.4616	0.4577	0.1957	0.2358	0.1801	0.3460	0.4857	2.1062	0.3589	0.2617	0.3965	0.3653	2.1309	1.1005	1.6676	1.7833	0.6191	0.6721	1.6056	0.5932	1.4580	1.3931	1.2104	1
sphingadienine	Sphingadienine	0.5696	0.7387	0.8372	1.0066	0.6142	0.5634	0.8346	1.0881	0.7193	1.1508	1.0586	0.5010	2.7427	2.3696	2.7757	0.6173	1.0727	0.9934	0.8143	0.8648	1.8161	2.1022	2.0691	5.8949	1.2797	1.4244	0.7521	0.8406	1.0868	1.5914	1.0211	1.8962	1.1350	1.1573	1.0744	1.0173	0.8042	0.6393	0.8511	0.9518	1.1136	1.2158	0.7420	0.6686	0.6512	0.6608	0.6271	0.5973
sphinganine	Sphinganine	1.2235	0.8946	1.0971	1.0810	1.4373	0.9851	2.1226	1.0393	0.9757	1.1428	1.0149	0.5971	3.8237	3.4088	3.0208	0.7508	0.9439	1.2753	0.7371	0.8508	0.8569	0.9012	1.5923	5.1652	1.1908	1.1767	0.7734	1.3350	0.7575	1.1118	0.6931	1.3052	1.9056	1.9566	1.6837	1.4675	0.1704	0.1579	0.3299	0.2742	0.6287	0.6096	0.2584	0.2794	0.7879	0.8495	0.8103	1.1090
sphingomyelin (d17:1/14:0_ d16:1/15:0)*	SM 31:1;O2	1.1569	1.0225	0.9698	1.0700	1.3274	1.0742	0.9684	1.3883	1.4285	1.4278	1.3120	0.7065	1.2859	1.1255	2.0778	0.6767	1.1627	1.0049	0.5274	0.6105	2.0993	2.5216	1.3541	2.7189	1.0576	1.1416	0.3913	0.9462	0.4040	1.2419	0.7969	1.2131	0.9321	0.9951	0.7923	0.6744	0.3565	0.2932	0.3736	0.3228	1.2498	1.2289	0.7090	0.8636	0.7656	0.8017	0.7040	0.5698
sphingomyelin (d17:1/16:0_ d18:1/15:0_ d16:1/17:0)*	SM 33:1;O2	0.8940	0.8918	0.8760	0.9612	0.9336	0.6220	0.8536	1.0496	1.0751	1.0840	1.0654	0.6575	1.3105	1.2522	2.0127	0.9619	1.4057	1.2830	1.1125	1.2495	1.4734	1.5777	1.3672	1.6515	1.2858	1.2478	1.0208	1.3758	0.6503	1.3758	0.9792	1.4213	1.1335	1.1851	1.0386	0.9215	0.1632	0.1441	0.1935	0.1755	0.4874	0.5121	0.3825	0.4119	0.6386	0.6439	0.6032	0.5832
sphingomyelin (d17:2/16:0_ d18:2/15:0)*	SM 33:2;O2	1.3606	1.4562	1.4948	1.6397	1.4943	0.9128	1.3809	2.0411	2.0154	1.9404	2.0369	0.9327	1.6992	1.4830	2.0501	0.6581	1.3428	0.9936	0.8911	1.0051	2.5779	3.0925	2.0551	4.1731	1.4327	1.3262	0.6658	0.6528	0.6374	1.3746	0.9949	1.3313	0.8456	1.0423	0.7704	0.7103	0.1629	0.2025	0.1532	0.2809	0.7914	0.7478	0.4915	0.4733	0.7551	0.8942	0.7226	0.7198
sphingomyelin (d18:0/18:0_ d19:0/17:0)*	SM 36:0;O2	7.3799	0.8600	1.5768	1.7358	7.9207	3.6786	7.3183	0.9494	1.0129	1.0104	1.0832	0.4971	1.1557	1.0495	0.9156	0.2296	0.5591	1.2962	1.5217	1.7443	0.4342	0.4899	1.1889	1.9172	0.7569	0.7977	1.4172	1.5375	0.2877	0.5377	0.3603	0.6729	1.5416	1.5978	1.6335	1.4272	0.1337	0.0642	0.3361	0.3287	1.0486	0.9896	0.4131	0.4329	0.0642	0.0642	0.0970	0.1114
sphingomyelin (d18:0/20:0_ d16:0/22:0)*	SM 38:0;O2	6.9107	0.5581	1.0730	1.2509	8.9437	3.5995	8.6655	0.9600	0.8762	1.1149	1.0400	0.2755	1.8968	1.5873	1.4562	0.3299	0.7041	2.0707	2.0023	2.3578	0.7807	0.8233	1.4278	3.2505	0.8359	0.9501	1.9182	2.0215	0.2989	0.8167	0.3771	0.8798	2.3759	2.5680	1.9935	1.9829	0.2594	0.2126	0.5396	0.4262	1.9687	2.0663	0.7723	0.7246	0.3349	0.2888	0.3352	0.5185
sphingomyelin (d18:1/14:0_ d16:1/16:0)*	SM 32:1;O2	1.3128	1.2922	1.1635	1.3352	1.5024	1.1307	1.2585	1.4223	1.4539	1.4650	1.4337	0.8648	1.0954	1.0144	1.7911	0.6020	1.0734	1.0035	0.5540	0.6082	1.5673	1.6494	1.2653	1.8366	0.9808	0.9965	0.4446	0.8306	0.5314	0.9517	0.6613	0.9480	1.0739	1.1522	0.9266	0.8582	0.5358	0.5323	0.5911	0.5555	1.1346	1.1665	0.8113	0.8268	0.9292	0.8997	0.9252	0.7957
sphingomyelin (d18:1/17:0_ d17:1/18:0_ d19:1/16:0)	SM 35:1;O2	1.6085	0.7024	0.8665	0.9409	1.6926	1.2581	1.5541	0.5234	0.5104	0.5472	0.5499	0.5522	1.0697	0.9409	1.1555	0.9376	1.3483	1.4022	1.2930	1.3523	1.6687	1.7735	1.4853	1.7646	1.2108	1.3291	1.1038	1.4522	0.8215	1.4511	1.2120	1.4470	1.1166	1.1400	1.0225	0.9775	0.0538	0.0449	0.0514	0.0506	0.1121	0.1097	0.0839	0.0952	0.2995	0.3138	0.2989	0.2865
sphingomyelin (d18:1/18:1_ d18:2/18:0)	SM 36:2;O2	1.7283	1.0966	0.9560	1.0315	1.7504	1.3990	1.7112	1.2026	1.1647	1.1354	1.1142	0.8879	0.6916	0.6421	0.6950	0.5894	0.6742	0.7472	1.1343	1.1889	1.2391	1.1634	0.9024	1.2856	0.7388	0.7245	1.1085	0.8324	0.5016	1.1776	1.0596	1.3168	0.8173	0.8554	0.7747	0.7409	0.9063	0.8458	1.0016	0.9984	1.2961	1.2240	1.1252	1.2366	0.4034	0.3793	0.3936	0.3774
sphingomyelin (d18:1/19:0_ d19:1/18:0)*	SM 37:1;O2	5.4929	0.3051	0.3589	0.3573	5.9917	3.5113	5.6925	0.4098	0.5434	0.4717	0.4660	0.1958	1.0692	0.8659	1.4884	1.0813	1.0710	2.1259	3.9753	4.0705	0.8203	0.8784	0.7323	1.2398	0.9309	0.8791	3.8656	2.8847	0.4946	1.3160	0.9182	1.2175	1.3621	1.4787	1.1933	1.0696	0.1958	0.2156	0.2511	0.1958	1.0039	1.0758	0.7913	0.7080	0.8783	0.9961	0.7365	1.0092
sphingomyelin (d18:1/20:0_ d16:1/22:0)*	SM 38:1;O2	2.6442	0.3867	0.4438	0.4740	2.8296	1.7529	2.6862	0.6345	0.6276	0.6710	0.6797	0.2809	1.0200	0.9243	1.3698	0.9498	1.0315	1.7244	1.8734	2.0938	0.6260	0.6733	0.7564	0.9800	0.9155	0.9572	1.9978	1.8232	0.4887	0.7926	0.6579	0.7704	1.4065	1.4811	1.2565	1.2860	0.8343	0.7921	0.8804	0.8713	2.0507	2.1717	1.5058	1.5428	1.5758	1.6493	1.5771	1.6996
sphingomyelin (d18:1/21:0_ d17:1/22:0_ d16:1/23:0)*	SM 39:1;O2	2.1229	0.4982	0.5494	0.6191	2.3046	1.3082	2.4607	0.7277	0.7349	0.8099	0.7829	0.2476	1.5348	1.4393	1.9051	0.6682	1.0241	1.5897	1.5137	1.7630	1.3901	1.4895	1.3292	2.2249	0.9844	0.9490	1.5548	1.5139	0.3177	1.1736	0.6324	1.1842	1.5017	1.5721	1.2756	1.1380	0.1520	0.1364	0.2004	0.1831	0.8008	0.8765	0.4009	0.4730	0.9215	1.0156	0.9443	0.9369
sphingomyelin (d18:1/22:1_ d18:2/22:0_ d16:1/24:1)*	SM 40:2;O2	1.9912	0.9309	0.8842	0.9662	1.5487	1.2108	1.9509	1.1424	1.1422	1.4155	1.4137	0.6486	1.1319	1.0740	1.3852	0.7958	0.9835	1.0860	0.9942	1.0328	0.7930	0.8138	1.1870	1.9601	0.9116	0.9492	0.9752	1.0058	0.5303	1.0958	0.8436	1.1338	0.7808	0.8196	0.7110	0.7440	0.6139	0.5534	0.6585	0.6466	1.1019	1.1731	0.7929	0.8038	1.0639	1.1164	1.0435	1.1403
sphingomyelin (d18:1/22:2_ d18:2/22:1_ d16:1/24:2)*	SM 40:3;O2	2.1178	1.0983	1	1.2032	1.9556	1.3415	2.2827	1.2499	0.4419	1.2727	1.3787	0.9100	1.0737	1.1537	1.2448	0.5627	0.7434	0.6615	1.0463	1.1868	0.7098	1.0328	1.4367	2.1191	0.7802	0.6796	1.1241	0.5244	0.6507	1.2695	1.0734	1.7116	0.7677	0.6157	0.4571	0.4419	0.6461	0.4419	0.6222	0.7089	0.5146	0.4419	0.4419	0.4630	0.7704	0.4419	0.8343	0.7232
sphingomyelin (d18:1/24:1_ d18:2/24:0)*	SM 42:2;O2	1.3192	0.7290	0.7192	0.7828	1.0803	0.6757	0.9405	0.8848	1.2412	0.9891	0.9414	0.4186	1.0430	0.9113	1.7981	0.6408	1.0096	1.3505	1.0590	1.1371	1.7679	1.7197	1.2516	1.6688	1.0014	0.9631	0.8958	1.2617	0.3411	1.0918	0.6363	0.9400	1.2513	1.2548	1.2849	0.7687	0.3487	0.2955	0.4921	0.5399	1.0137	0.9986	0.6263	0.6233	1.3518	1.3751	1.3513	1.1795
sphingomyelin (d18:1/25:0_ d19:0/24:1_ d20:1/23:0_ d19:1/24:0)*	SM 43:1;O2	1.4851	0.4446	0.6210	0.6748	1.5954	0.9793	1.3793	0.7155	0.7617	0.8234	0.7453	0.2744	2.7606	2.4181	5.6878	0.8176	1.3570	1.9152	0.5404	0.5570	1.9044	2.1365	1.3992	1.8792	1.5338	1.4909	1.0207	1.4582	0.6284	0.8225	0.5024	0.8568	2.9358	2.9799	2.3438	2.0306	0.2603	0.2143	0.3564	0.3595	0.7958	0.8538	0.5124	0.5051	1.8770	1.8897	1.7985	1.5479
sphingomyelin (d18:2/14:0_ d18:1/14:1)*	SM 32:2;O2	0.8045	1.0904	0.9377	1.2294	0.9982	0.9938	0.9538	1.6250	1.6308	1.5946	1.4828	0.7027	0.8455	0.8459	1.3858	0.5388	1.0018	0.7185	0.4760	0.5815	3.0425	3.0485	1.3929	3.0464	0.8725	0.8334	0.3623	0.4749	0.4043	1.0767	0.6815	0.9811	0.7383	0.7861	0.6740	0.5221	1.3584	1.2384	1.2139	1.0199	2.4970	2.8605	1.5313	1.5574	1.1733	1.1167	1.0690	0.7325
sphingomyelin (d18:2/16:0_ d18:1/16:1)*	SM 34:2;O2	1.0157	1.5427	1.4264	1.6373	1.1767	0.7757	1.0144	1.9659	1.9936	1.9248	1.9246	1.0543	1.1362	1.0761	1.4945	0.6267	1.0625	0.8696	0.7895	0.8513	1.9946	2.1810	1.5565	2.1831	1.0185	1.0418	0.6106	0.6084	0.6285	1.1119	0.7830	1.1756	0.9782	1.0643	0.9856	0.9199	0.4429	0.4333	0.5104	0.5041	0.7597	0.7909	0.6578	0.6753	0.7423	0.7159	0.7291	0.7696
sphingomyelin (d18:2/21:0_ d16:2/23:0)*	SM 39:2;O2	1.6414	0.1707	0.4974	0.1707	1.5230	1.1107	0.1707	0.1707	0.9198	0.7802	0.8242	0.1707	1.1431	0.8484	1.5597	1.0850	1.1574	1.3302	1.5189	1.4691	0.8877	0.9436	1.0041	1.9592	1	1.0678	1.3892	1.3040	0.2376	1.2269	0.9937	1.3974	0.5904	0.1707	0.5057	0.4763	0.1707	0.1707	0.1707	0.1707	0.1707	0.1707	0.1707	0.1707	0.2517	0.4011	0.4647	0.6872
sphingomyelin (d18:2/23:0_ d18:1/23:1_ d17:1/24:1)*	SM 41:2;O2	1.2060	0.7468	0.6886	0.8039	1.3016	0.7133	1.1763	0.9719	0.9654	1.0562	0.9975	0.3841	1.2372	1.0995	2.0124	0.6389	1.1025	1.4000	1.0673	1.2023	1.3915	1.5591	1.5614	2.5033	1.0354	1.0972	1.0290	1.3616	0.3490	1.3499	0.7535	1.2687	1.1740	1.2452	0.9557	0.8206	0.2054	0.1607	0.2585	0.2478	0.6540	0.7330	0.3629	0.3912	0.9314	1.0025	0.9379	0.8641
sphingomyelin (d18:2/23:1)*	SM 18:2;O2/23:1	1.5455	1.1551	1.2090	1.1132	1.2547	1.0174	1.2049	1.7657	1.6118	1.8596	2.1468	0.9831	0.9648	1.0830	1.4992	0.7633	1.1695	0.9373	0.7373	1.0169	1.1628	1.8062	1.8755	3.4736	1.1774	1.0802	0.9657	0.8577	0.5419	1.6669	1.2516	1.5158	0.7350	0.6613	0.5313	0.4924	0.3468	0.2780	0.2218	0.3032	0.2509	0.2576	0.2584	0.2206	0.7604	0.8269	0.7800	0.7583
sphingomyelin (d18:2/24:1_ d18:1/24:2)*	SM 42:3;O2	1.2004	1.2790	1.3109	1.3472	1.2254	0.8904	1.1443	1.5429	1.3859	1.7605	1.7563	0.9339	0.9888	1.0112	1.3218	0.8158	1.0744	0.9378	1.1396	0.9841	1.1787	1.2132	1.3808	2.2005	0.9092	0.8976	1.1489	0.8003	0.6764	1.2529	1.0982	1.2437	0.7457	0.8024	0.7496	0.6463	0.8137	0.7299	0.8270	0.7865	1.0420	1.0827	0.7908	0.7809	0.8625	0.8635	0.8540	0.7853
sphingomyelin (d18:2/24:2)*	SM 18:2;O2/24:2	1.4524	1.3735	1.9918	1.5929	1.4862	1.2073	0.4582	2.0739	2.0019	2.3412	2.2968	1.3968	0.9028	1.2567	1.4912	0.5696	1.1822	0.5946	1.0648	1.3053	1.8236	1.6190	2.2269	3.2176	0.9322	0.6319	0.9352	0.4862	0.4582	1.7159	1.1683	1.9451	0.4824	0.5376	0.5720	0.4582	0.7058	0.6291	0.6565	0.6573	0.7317	0.6127	0.6653	0.5819	0.6728	0.8682	0.8183	0.7317
sphingosine	Sphingosine	0.6050	0.7876	0.8535	0.9194	0.6785	0.5707	0.9078	0.9951	0.8201	1.0448	0.9575	0.5776	3.6618	3.3634	2.8661	0.7697	1.2130	1.1186	0.7044	0.7600	1.5471	1.6941	1.6409	4.2339	1.3987	1.4375	0.6335	1.0179	1.0049	1.2871	0.8612	1.4673	1.5773	1.6476	1.3903	1.2203	0.3189	0.2878	0.3468	0.3442	0.8641	0.8868	0.3968	0.4499	1.2502	1.2908	1.1958	1.2341
stachydrine	Stachydrine	1.0612	1.0084	0.7012	0.6326	0.8034	0.3964	0.7160	1.0545	1.0538	0.7687	1.0958	1.1378	4.9033	4.6943	7.4792	0.7258	0.7942	0.5289	0.3321	0.3520	40.1088	22.9103	21.8697	0.6758	0.3321	0.9113	0.5866	0.3321	0.7797	0.3664	0.3321	1	0.6274	0.6500	0.5708	1.2412	1.1614	0.9776	0.4815	1.5294	1.5931	1.9923	1.0354	0.8029	1.7527	2.0521	1.5191	2.0299
stearate (18:0)	Stearic acid	1.1044	0.9867	0.8495	0.7620	1.9669	1.3790	2.4719	2.2002	0.6953	0.7328	0.7217	0.6725	1.1999	1.1805	0.9568	2.1347	0.6306	1.6466	1.0711	1.4503	0.8842	0.9857	0.7446	3.3841	0.9384	1.4661	1.4229	1.1616	0.6848	3.3985	1.0740	4.1597	0.4596	1.2925	1.0997	1.1348	0.8646	0.7270	0.6340	1.0107	0.8151	1.3755	1.2686	0.7253	0.9496	0.9893	0.5271	0.9715
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*	DG 18:0_20:4	1.9824	0.8452	0.6428	0.8154	2.2227	1.3547	1.8985	0.7060	0.7724	0.7347	0.7312	0.4823	0.9465	0.3099	2.2305	0.6978	0.5387	1.4216	0.1708	0.1708	1	1.1343	1.8999	0.3510	1.3774	1.2518	0.1708	1.2481	0.5548	0.1708	0.2254	0.6519	1.4418	1.1782	1.2381	1.0491	0.1708	0.4466	0.4423	0.1708	1.0353	1.2261	0.8150	0.3208	2.0952	1.9220	2.1088	1.3588
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*	DG 18:0_20:4	1.8677	0.9484	0.6656	0.8407	1.9776	1.1622	1.6676	0.7443	0.7262	0.6959	0.6718	0.5833	1.2003	0.8757	0.9493	0.5315	1.2469	1.1864	0.8936	0.9720	0.8792	1.0297	1.3069	0.7855	1.2396	1.2886	1.1072	1.0582	0.6475	1.1224	0.7571	1.1351	1.1572	1.0954	1.0248	0.9752	0.3533	0.2990	0.5207	0.4845	1.1183	1.1767	0.9408	0.9012	1.7064	1.8146	1.7215	1.4008
stearoylcarnitine (C18)	CAR 18:0	5.8418	1.3248	1.2098	1.1782	6.9515	3.0695	5.3897	0.7426	1.1629	0.8064	0.7932	0.8069	15.4591	16.3538	1.3179	0.8349	0.7476	0.8326	1.2201	1.5539	2.1670	2.5449	2.2326	7.6357	0.9196	0.9971	1.8978	0.7536	0.7930	3.8347	2.3269	6.8252	0.8283	0.8602	1.1231	1.1356	1.0029	0.9532	0.8793	0.8713	0.6124	0.7458	0.4862	0.6022	0.6423	0.6534	0.5891	0.9735
stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]*	DG 18:0_22:6	1.3411	0.6302	0.4880	0.5903	1.3737	0.7372	1.4674	0.4195	0.4099	0.3982	0.3572	0.3913	1.0158	0.7576	1.5631	0.9373	1.0301	1.5318	0.9208	1.0638	0.9348	1.0725	0.9481	1.0096	0.9983	1.0017	1.3225	1.3641	0.5644	1.2985	0.8850	1.4934	2.2421	2.0580	1.7020	1.6301	0.3712	0.3552	0.4342	0.4151	0.9767	1.1000	0.9282	0.8971	2.0827	2.0466	2.0092	1.6538
stearoyl ethanolamide	Stearoyl-EA	2.5422	1.2761	1.1923	1.2991	2.7547	1.5655	2.7015	1.5346	1.5302	1.4818	1.4219	0.7965	1.4115	1.2965	1.6100	0.5311	0.5956	0.8044	0.5892	0.6591	0.8855	1.1140	1.1315	2.3041	0.7824	0.7375	0.5824	0.8007	0.3497	0.6149	0.4785	0.7457	0.8436	0.9547	0.8983	0.7550	1.4684	0.9088	0.7456	0.6480	1.0576	1.0453	0.5941	0.5875	3.0231	2.6670	3.1925	2.9388
stearoyl sphingomyelin (d18:1/18:0)	SM 18:1;O2/18:0	3.2477	0.8383	0.8755	1.0564	3.3149	2.4133	2.8349	1.0119	0.9635	0.9881	1.0622	0.7673	0.7662	0.7777	0.8324	0.7168	0.7530	1.0485	1.5173	1.5566	0.8613	0.9360	0.9296	1.1943	0.7499	0.7972	1.5615	1.3622	0.5963	1.2058	1.1459	1.3007	1.1113	1.1446	1.0816	1.0697	0.6489	0.6117	0.6841	0.7193	1.4664	1.5558	1.4131	1.3543	0.6796	0.7123	0.7102	0.7810
succinate	Succinic acid	1.8426	1.3009	2.3422	3.9009	1.6193	1.2313	2.1117	1.3506	1.8165	1.9053	3.0058	0.7576	3.7102	4.6667	0.6913	0.2182	0.2856	0.6768	1.8109	1.6264	0.2810	0.5087	0.6017	0.7220	0.1889	0.2985	0.3979	0.7145	0.4210	0.6196	0.3955	1.0046	0.2720	0.2824	0.2862	0.5115	0.5991	0.7180	0.8193	0.9954	2.0986	2.4924	1.1164	1.6417	2.4495	3.6261	2.6230	5.4223
succinylcarnitine (C4-DC)	CAR DC4:0	1.0357	0.5084	1.0896	1.0061	1.1637	0.7767	0.8868	1.2485	1.3537	1.2070	1.2329	0.0949	2.9443	3.2183	0.9939	0.0949	0.4030	0.0949	0.3458	0.3134	0.0949	0.0949	0.6339	0.5396	0.0949	0.0949	0.0949	0.0949	0.0949	0.3457	0.1437	0.0949	0.0949	0.0949	0.0949	0.0949	0.2591	0.0949	0.0949	0.0949	0.0949	0.0949	0.0949	0.2626	8.8745	9.6196	7.9211	5.4963
taurine	Taurine	2.3070	0.3459	1.6530	1.2431	2.2861	1.7343	1.7203	1.6304	2.7726	2.6949	2.1773	0.2792	35.9025	34.3571	0.6921	0.1288	0.2650	0.2120	0.1372	0.2449	0.4907	0.5502	0.1415	0.1708	0.3719	0.3593	0.2194	0.4345	0.1105	0.3776	0.3360	0.7569	0.3659	0.3853	0.6749	0.6601	10.0160	7.6395	5.0680	5.4459	4.4062	4.6350	4.3873	4.5454	13.6659	15.0335	14.1862	21.1559
taurochenodeoxycholate	Taurochenodeoxycholic acid	0.5907	0.9537	0.2590	0.7254	0.9002	0.7661	1.2209	0.7172	0.4887	0.2910	0.4794	0.2366	0.2366	0.2366	1.9741	0.8699	1.2911	2.9686	1.6873	2.4967	2.2206	2.7722	0.4919	2.8967	0.2366	0.3639	3.2805	0.2524	0.2366	2.6710	1.0463	2.5487	4.0482	4.5992	2.9082	2.4005	0.6909	0.8255	0.8929	0.6479	1.6682	2.3340	1.4415	1.3112	0.8955	0.9302	0.8159	1.6497
tetradecadienoate (14:2)*	Tetradecadienoic acid	3.8764	0.7262	1.1444	1.3122	3.9045	3.4243	4.2034	2.0031	1.7866	2.1339	1.7856	0.5308	6.4107	5.4193	0.7925	0.6483	1.1201	1.0842	0.9619	1.0719	0.2887	0.2132	0.7756	2.0860	1.2517	1.3192	0.5007	1.1155	0.2682	1.8413	0.9946	2.4986	1.0054	0.9379	1.6001	1.3517	0.8220	0.7803	0.5323	0.5206	0.6962	0.7763	0.3328	0.4951	0.1556	0.0496	0.2797	0.2829
thiamin (Vitamin B1)	Thiamine	0.3172	0.9594	1.3043	1.2901	0.4148	0.1927	0.4691	0.8415	1.4410	1.2047	1.0736	0.5242	3.1772	3.5672	1.8233	0.3466	0.4735	1.2701	0.8798	1.4383	0.6288	0.7841	0.8712	1.1732	0.7944	0.9050	1.6159	1.0787	0.5090	0.6773	0.4329	0.8683	0.9030	0.9548	0.9109	0.9414	1.0406	0.9258	1.1625	1.2981	2.1273	2.8900	1.4465	1.7430	2.1094	2.3526	1.8257	2.5301
thioproline	Thioproline	0.7311	1.7501	1.5684	1.5776	0.7716	0.6916	0.5904	0.9783	0.8153	1.0217	1.0416	1.5308	0.9617	0.9337	1.0290	0.8045	0.6418	0.7625	2.7016	2.4357	0.7728	0.8755	2.0123	1.9871	0.8349	0.7375	1.0379	0.7662	0.7157	0.9488	0.6753	0.7984	0.5164	0.5480	0.5766	0.5050	3.8049	3.1638	3.9157	4.4312	5.1575	5.2460	6.0910	5.5817	5.9196	6.1275	5.7697	8.3069
threonate	Threonic acid	0.4478	0.1536	1.6799	0.6398	0.1536	0.9299	0.8477	0.4837	2.6963	1.3015	1.4045	0.1536	11.2554	20.3214	0.1536	0.1536	0.1536	0.3259	0.1536	0.1536	0.1536	0.3530	0.1536	0.4887	0.6138	0.5333	0.3527	0.1536	0.1536	0.5716	1.1897	1.6346	1	1.3724	2.1094	1.9235	0.5687	0.7889	0.1536	0.6021	1.2632	1.3913	0.6487	1.0843	1.6091	2.6481	2.4772	0.1536
threonine	Threonine	0.7413	1.2782	1.1727	1.0863	0.8287	0.5456	0.6934	1.0237	0.9882	1.0105	0.8579	0.8804	4.0475	3.7898	3.4790	0.5742	0.9408	1.4971	0.5377	0.9225	1.2388	1.3588	0.9669	2.2138	1.0626	0.9895	0.8249	1.2612	0.5124	1.1279	1.0904	1.7008	1.4474	1.2679	1.3511	1.1604	0.2407	0.2090	0.3951	0.3681	0.8007	0.6985	0.4258	0.4225	1.3864	1.3381	1.3693	0.9583
threonylphenylalanine	Thr-Phe	0.2507	1.4758	0.2302	0.5644	0.4637	0.4219	0.6631	0.3708	0.3888	0.2427	0.4732	0.6308	0.1814	0.1819	1	6.9841	5.5573	2.4484	26.4797	6.1565	2.6178	3.0661	5.1112	0.8836	4.5552	6.1746	1.8460	1.9879	4.2049	3.4487	1.0941	0.6102	2.2475	3.1696	2.2318	2.6214	0.1758	0.1758	0.1900	0.1758	0.1758	0.1786	0.5250	0.4859	0.1758	0.1758	0.1758	0.1758
thymidine	Thymidine	2.9456	1.6644	2.8281	3.0379	2.3950	2.5932	4.8461	3.0459	5.7457	3.4642	1.5875	1.2454	5.3868	1.5563	0.5239	0.1338	0.1338	0.2281	2.4474	0.9543	0.1338	0.1338	0.1338	0.5795	0.1338	0.1338	0.1338	0.1338	0.1821	0.1338	0.1338	0.1338	0.2278	0.2508	0.2500	0.1811	0.1338	0.1338	0.3157	0.2595	3.8996	3.8127	0.7278	0.9196	0.4263	0.3710	0.4213	1
tiglyl carnitine (C5)	CAR 4:1;2Me	0.3695	0.3924	1.4383	0.6810	0.8944	0.3046	0.6147	0.8559	0.7271	0.6028	0.4366	0.3046	13.1379	12.7665	2.7971	1.3708	1.3868	1.8584	1.2395	1.4355	0.3271	0.9349	1.4536	1.0096	1.1936	1.3380	0.8616	3.0160	0.3456	1.3588	0.9904	2.1295	0.8186	0.6700	0.5757	0.4865	0.3046	0.3046	0.3404	0.3046	0.3046	0.3046	0.3046	0.3046	24.0631	24.2035	22.0626	36.3100
tricosanoyl sphingomyelin (d18:1/23:0)*	SM 18:1;O2/23:0	1.3703	0.5516	0.6258	0.8647	1.4483	0.7873	1.1446	0.8746	0.8118	0.7943	0.7647	0.2484	1.9117	1.3264	1.7349	0.3888	1.0639	1.1371	0.6848	0.7258	1.5169	1.9611	1.1705	1.9791	0.9258	1.1927	0.9699	1.0301	0.3764	0.9024	0.5920	0.9340	1.4996	1.4902	1.4835	1.1986	0.3939	0.2539	0.4518	0.5984	1.2319	1.3742	0.8149	0.6688	1.8237	1.8476	1.8205	1.4535
trigonelline (N^-methylnicotinate)	Trigonelline	0.5000	0.5806	1.2907	1.0192	0.7013	0.5512	0.9654	0.6903	0.9615	0.9670	0.7861	0.4310	3.0030	2.7110	2.3103	0.7098	1.0463	0.9808	0.7873	0.4989	4.5975	3.0637	3.9026	0.9076	0.5540	0.5488	0.6969	1.1655	0.4310	0.8477	0.9548	0.4310	0.8649	0.7541	1.0489	0.9550	2.5335	2.0061	1.8572	1.8243	2.7762	2.8683	2.3846	2.4874	4.6042	5.0421	4.4952	4.9798
tryptophan	Tryptophan	1.2228	1.6413	1.8113	1.9059	1.3474	0.8234	0.9875	1.8114	1.7726	1.9310	1.7791	1.0866	4.1077	4.0563	2.1284	0.4262	0.7096	1.0213	1.1887	1.4665	1.0467	1.1456	1.1898	2.3849	0.9068	0.8235	0.8312	1.0140	0.4804	0.7945	0.6923	1.3641	1.0894	0.9982	1.0018	0.9377	0.0078	0.0099	0.0231	0.0129	0.8633	0.7134	0.4978	0.5526	0.6641	0.5935	0.6741	0.5497
tryptophylglycine	Trp-Gly	0.1004	0.8387	0.1004	0.7215	0.2818	0.1004	0.1004	0.1004	0.1004	0.1004	0.1004	0.5330	0.1004	0.1913	1.8605	0.7502	0.9804	1.1912	2.7069	2.9204	1.9362	2.2972	3.2927	1.9447	2.0581	1.8647	1.5341	1.0196	0.9133	0.9424	0.8164	0.8776	1.2676	1.2842	1.4114	1.2111	0.1004	0.1004	0.1004	0.1004	0.3577	0.2384	0.2905	0.4066	1.0569	1.5061	0.9185	0.3162
tyrosine	Tyrosine	0.5754	1.1366	0.8145	1.0014	0.6505	0.5223	0.5780	0.8848	0.8597	0.8913	0.7512	0.7899	2.4150	2.1421	2.7160	0.8612	1.0047	1.4201	0.6723	1.1095	1.1614	1.2475	0.9986	1.9257	1.3039	1.1815	0.8771	1.3365	0.5822	1.3967	1.0989	1.4962	1.3817	1.2892	1.3230	1.1395	0.2150	0.1767	0.3623	0.3114	0.8042	0.7320	0.3856	0.4345	1.0976	1.1974	1.1873	0.8829
tyrosylglycine	Tyr-Gly	0.1299	1.1496	0.1582	0.3759	0.3298	0.1600	0.2031	0.1599	0.0946	0.0865	0.1386	0.6490	0.1949	0.2261	4.7580	2.3554	3.4373	4.4119	2.6949	3.1038	3.0293	3.5149	3.3610	1.8138	3.4670	3.4337	2.5866	3.1619	2.0330	2.5054	1.9343	1.6120	3.5267	3.2550	3.1041	2.8650	0.1428	0.2052	0.3819	0.3420	0.3854	0.3259	0.3685	0.4754	0.7954	1.1562	0.8504	0.3198
UDP-galactose	UDP-galactose	1.1782	1.2205	2.4566	2.8271	1.0908	0.3030	0.9974	1.0127	3.2637	1.5438	1.3212	1.5360	3.3572	7.0595	0.4063	0.1451	0.1451	0.1451	0.3990	0.3475	0.4433	0.5503	0.5279	2.3849	1.8136	2.1095	0.1451	0.5552	1.0089	1.0026	0.8423	1.8894	0.4905	0.7036	0.8256	1.0242	0.1451	0.1451	0.1451	0.1451	0.1451	0.1596	0.1451	0.1451	0.7119	0.8224	0.5589	0.8873
UDP-glucose	UDP-glucose	0.5494	0.5081	2.8358	5.8204	0.5200	0.1190	0.3207	0.9071	4.1137	1.8718	3.3852	1.1069	17.0969	27.4229	0.5348	0.1190	0.1190	0.1190	0.6871	0.5357	0.5662	0.5912	0.2009	1.1574	2.7295	3.5265	0.1190	0.2574	1.3859	0.8089	1	2.5735	0.6539	0.6901	1.4028	1.4242	0.1190	0.1190	0.1190	0.1190	0.2633	0.2780	0.1190	0.1618	1.2147	2.0197	1.3123	1.3000
UDP-glucuronate	UDP-glucuronic acid	1.0848	0.5121	8.5427	7.3489	0.8121	1.6175	1.9446	7.7401	7.1259	8.1843	7.7863	0.8680	25.4913	24.6362	0.0958	0.0945	0.1102	0.0945	0.3955	0.5575	0.8522	0.9748	0.1927	1.3666	2.4149	3.5031	0.0945	0.0945	1.4087	0.5087	0.5045	2.1577	0.7106	1	1.4526	1.5701	0.6211	0.5192	0.5670	1.0805	1.3071	1.0262	0.5086	0.7419	0.7963	0.9461	0.9445	1.4065
UDP-N-acetylglucosamine/galactosamine	UDP-N-acetylhexosamine	1.6105	0.2902	13.4317	10.5739	1.0193	1.6922	1.3244	21.0099	14.5775	33.6453	26.9353	0.3546	102.1839	99.9133	0.7675	0.1409	0.2680	0.2598	0.5122	0.4539	0.9087	0.9807	0.2647	0.5832	0.6082	0.8506	0.0810	0.2482	0.4490	0.2459	0.1207	0.4008	0.4035	0.4780	0.4864	0.5435	5.7897	4.2909	3.4380	4.8782	2.3711	1.4808	1.5685	2.2991	6.8780	7.5249	7.4855	7.3960
UMP	UMP	0.8641	0.4044	5.6746	11.9836	0.7636	0.6120	1	5.7085	4.6878	11.8068	39.9657	0.4340	59.8936	219.3781	0.7055	0.2089	0.2104	0.2089	0.4270	0.6090	0.4141	0.3012	0.2569	1.1115	0.9396	1.4134	0.2089	0.2675	0.3670	0.6131	0.2089	0.9549	0.3358	0.5179	0.4538	0.6316	12.9800	13.0757	14.4296	13.1143	1.5178	1.0181	17.6693	16.7557	20.7910	23.7958	20.0527	56.0123
uracil	Uracil	10.8544	4.2871	0.3648	0.3605	10.5622	2.9362	8.1388	0.9269	2.1498	0.8618	0.2336	1.7890	7.6205	2.8524	8.1825	0.3854	5.1367	2.8849	0.2187	0.4503	1.4208	2.2909	5.0030	10.4663	5.6031	4.8938	0.4904	0.7627	0.9563	0.6523	0.4277	1.0965	1.2503	1.2698	0.9606	0.9546	0.1249	0.1118	0.1771	0.2021	0.9011	1.0394	0.0758	0.0753	0.9358	0.8993	1.1549	1.2916
urate	Uric acid	0.8196	0.4201	0.7268	0.9263	0.9404	0.7482	0.6073	0.4201	0.8640	0.8865	0.9443	0.4201	8.1749	7.4708	2.0117	0.8140	0.4201	0.7029	0.4201	0.4201	0.4201	0.4201	0.4201	0.4201	0.4201	0.4201	0.4584	0.7062	0.4201	0.5068	0.4201	0.4201	1.0003	0.8604	1.0718	0.9997	4.2068	3.6606	3.3053	3.6706	2.9742	3.2336	1.5523	1.7833	47.2625	46.4247	47.1098	46.8280
uridine	Uridine	1.0363	1.5012	1.7978	1.5766	1.0254	0.8508	0.9541	1.6506	2.2002	1.8755	1.2944	1.3330	2.9658	1.9595	1.3698	0.4815	1.0326	0.9920	0.6946	0.9980	0.6768	0.7406	0.9144	1.5686	1.0267	1.0919	0.4719	1.1474	1.0020	1.5574	1.3434	2.1676	0.7550	0.7049	0.8132	0.6930	0.3510	0.2626	0.5082	0.5597	1.7143	1.6062	0.5261	0.6083	0.7534	0.6806	0.7535	0.9516
uridine 3^-monophosphate (3^-UMP)	3'-UMP	0.6707	0.9737	1.6485	2.2046	0.2364	0.5573	0.0816	1.2223	0.1846	0.7960	0.9193	1.3000	0.0696	0.1592	0.1823	2.2269	0.2195	0.2902	8.6160	7.8911	1.0554	0.7403	1.0895	1.9242	0.8264	0.7414	0.2284	0.4009	0.7533	0.2300	0.5771	0.4425	2.0393	2.2713	2.0953	1.9154	4.7893	2.3656	1.0263	1.2542	9.8800	0.4219	0.3491	2.4298	3.2635	2.6174	2.6009	1.8250
uridine 5^-diphosphate (UDP)	UDP	0.8789	0.2593	2.7787	3.3627	0.5468	0.4999	0.8332	3.5264	1.8127	3.5703	4.4782	0.1531	5.6420	4.2758	0.1531	0.2750	0.1531	0.1531	0.1985	0.2596	0.2466	0.3896	0.2048	0.9458	1.3026	1.9202	0.1531	0.1813	1.1860	0.2672	0.2938	0.6344	0.5370	1.2847	0.9668	1.4311	1.8650	1.5293	1.0421	1.1554	1.0332	0.8641	0.5371	0.5881	1.5432	1.3605	1.5588	1.3716
uridine 5^-triphosphate (UTP)	UTP	1.1292	0.6638	3.0185	3.7838	0.8767	0.6669	1.3276	3.0573	3.1265	3.3255	3.2281	0.1858	1.1233	0.8143	0.1858	0.1858	0.1858	0.1858	0.1858	0.1858	0.1858	0.1858	0.1858	0.1858	0.1858	0.1858	0.1858	0.1858	0.3046	0.1858	0.1858	0.1858	0.1858	0.2836	0.1858	0.1858	0.1858	0.1858	0.1858	0.1858	0.4335	0.4477	0.1858	0.1858	0.1858	0.1858	0.1858	0.1858
valine	Valine	0.6392	1.1443	0.8023	0.8256	0.7253	0.4670	0.5955	0.7951	0.7170	0.8091	0.7467	0.7475	1.7157	1.6196	2.5489	0.7676	1.1434	1.7365	0.6096	0.9648	1.2949	1.4655	1.1724	1.7182	1.2955	1.1689	1.0831	1.2607	0.6766	1.1497	1.0352	1.3963	1.5665	1.3238	1.3601	1.1425	0.2297	0.2097	0.3542	0.3301	0.6723	0.6042	0.4117	0.3873	1.1985	1.1748	1.2097	0.8366
valylglutamine	Val-Gln	0.1812	2.0961	0.2844	0.5601	0.4810	0.3116	0.5504	0.4107	0.3671	0.2828	0.3625	1.2240	0.2636	0.3295	1	5.0976	6.5790	4.0139	9.2299	3.3019	4.2897	5.3219	9.7749	1.2046	7.3782	8.1681	2.7535	2.7499	5.0261	4.4392	1.4616	0.7990	4.4177	5.3903	3.3825	4.3021	0.0667	0.0667	0.0903	0.0667	0.0667	0.1057	0.2045	0.1837	0.1924	0.2232	0.1596	0.1101
valylglycine	Val-Gly	0.1794	1.6728	0.3336	0.9858	0.4974	0.3840	0.6417	0.3651	0.3930	0.2474	0.5106	1.0445	0.1537	0.3322	1.6247	4.0810	5.1109	4.8226	5.2472	4.3296	5.0604	5.1340	5.2539	0.9199	6.1135	6.1566	3.9203	3.5059	3.7029	3.2633	2.1188	1	5.2076	4.9740	4.6871	4.4587	0.0413	0.0413	0.0413	0.0652	0.0413	0.0418	0.1569	0.2541	0.1383	0.1650	0.1061	0.0833
xanthine	Xanthine	0.6750	0.3657	0.5427	0.6984	0.5899	0.5915	0.6377	0.8629	1.0481	0.8547	0.6256	0.2400	21.6072	12.5089	2.9689	0.3440	0.5181	0.4689	0.2027	0.3408	1.2895	1.4549	0.5203	0.7892	1.1713	1.2067	0.4227	0.9519	0.3370	0.4512	0.5633	0.8743	1.6526	1.4203	1.8403	1.6104	10.6093	5.9333	15.8964	13.7072	61.2721	52.2337	14.9566	11.6001	66.9884	61.9279	68.1599	73.1374
xanthosine	Xanthosine	2.1723	0.5247	0.5247	0.5247	0.7573	3.8342	14.6463	0.5247	0.5247	0.5247	0.5247	0.5247	3.2172	2.2482	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	1.0526	0.6547	0.6185	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247	0.9474	0.7941	0.5247	0.5247	0.5247	0.5247	0.5247	0.5247
ximenoylcarnitine (C26:1)*	CAR 26:1	2.7646	0.6396	0.6396	0.6396	3.5845	0.9286	1.3665	0.6396	0.6396	0.6396	0.6396	0.6396	1.1860	0.8771	1.5602	0.6863	0.6396	0.6396	0.6396	0.6396	0.6396	0.6396	0.6486	1.2292	0.6396	0.6396	0.8435	0.6396	0.6396	1.2495	0.8129	1.4177	0.6396	0.6396	0.6396	0.6396	0.9029	0.8591	1.0714	0.6396	0.6396	0.6396	0.6396	0.6396	0.6396	0.6396	0.6396	0.6396