Data for (Study ST000390)

(Analysis AN000626)

Values for each metabolite have been scaled by dividing by the mean across all factors

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Metabolite	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18	F19	F20	F21	F22	F23	F24	F25	F26	F27	F28	F29
1,5-anhydroglucitol	0.5077	0.2908	1.2242	0.6454	1.5208	1.2849	1.3474	0.9212	0.9363	0.9451	0.6804	0.9983	1.5281	1.3988	0.7189	0.8358	1.2329	1.2101	0.3104	0.3239	1.4149	0.9733	0.7537	0.9887	0.7404	1.2321	1.0038	0.9850	1.0189
1-hexadecanol	1.1822	1.0620	0.4018	0.6705	0.7613	1.6019	1.1490	0.9110	0.6423	1.1311	1.2539	1.1051	0.5988	0.9430	2.9249	0.8347	1.5303	0.6410	1.0479	1.0581	1.5968	0.8035	0.8854	0.8112	1.1643	0.7856	1.1835	1.0386	0.8007
1-monopalmitin	0.9990	1.1046	0.5890	1.9389	0.9068	1.3642	0.8106	1.3392	0.8817	1.1709	2.7303	0.8910	0.8522	0.5317	1.8279	0.9808	0.6938	0.6723	0.8808	0.9202	0.8468	1.4770	0.8367	0.5765	1.2413	0.8092	1.2089	1.1971	0.8550
1-monostearin	1.3971	0.7393	0.7524	1.3578	1.0544	1.3396	1.1748	0.7713	0.7928	0.6622	1.6066	1.1693	0.9598	0.9510	2.1626	1.1223	0.8710	0.8019	1.1686	0.8892	1.1351	0.7233	1.1982	0.8077	0.9183	0.8310	1.2897	1.0212	0.4062
238267 trisaccharide	0.5716	0.8870	0.1774	0.7933	0.9042	1.6261	0.5876	0.3252	0.7902	1.1235	0.7243	0.5880	0.5001	0.5470	1.6704	1.9496	0.7564	0.7884	0.9190	0.8870	0.6701	1.8084	0.9986	0.6258	0.6948	0.9510	0.9689	1.1512	1.6140
2-aminoadipic acid	0.4064	0.3393	0.5949	0.6075	0.9049	1.9648	0.8750	3.1881	0.4540	4.3569	0.6493	0.7597	0.5069	0.8190	1.2819	0.7373	1.2400	0.4985	3.3682	0.5488	0.8002	0.7164	0.6535	0.6452	1.4495	0.5530	0.6666	1.5977	1.0134
2-hydroxybutanoic acid	0.3563	0.2317	0.9813	0.3542	0.9300	0.8570	1.1396	0.4865	0.8329	0.4486	0.1839	0.8475	1.6209	1.6491	0.6544	0.7362	1.7439	1.1191	1.5492	1.5416	2.1042	1.5170	1.0642	1.0117	1.3620	1.1022	0.9152	0.8391	0.9945
2-hydroxyglutaric acid	2.2903	0.6448	0.8720	1.3623	0.5894	0.9039	0.6522	1.1161	0.8720	1.5840	0.5384	0.8474	0.6134	0.6795	0.9661	1.0273	1.0718	1.1580	1.0304	0.7131	0.6739	0.2922	1.0496	0.6146	2.2821	0.9940	0.5390	1.9419	0.9164
2-ketoisocaproic acid	0.9793	0.8385	0.4225	0.8710	1.2328	1.1082	0.8845	0.6153	0.7485	0.8255	0.9511	1.1241	0.7908	0.9869	2.9400	0.7114	1.4917	0.5633	1.0031	0.9825	1.3064	0.5893	1.4769	1.2414	0.7366	1.1548	1.2788	1.0470	0.9581
2-monoolein	1.0037	1.5086	0.5359	2.1715	0.8581	1.1431	1.0962	0.6846	0.8333	0.8705	2.1653	0.9066	0.5622	0.8271	1.7812	0.8524	0.7574	0.6134	0.6645	1.1493	1.2329	0.7899	0.7806	0.6134	1.2639	0.8054	1.2135	1.3436	0.7896
2-monopalmitin	1.4078	0.6896	1.3109	3.6947	1.0068	0.7623	1.0531	0.1498	0.6428	0.8813	0.5420	1.7298	0.6863	0.8735	4.1023	1.0116	0.4803	0.2941	0.4340	0.3999	0.5618	0.5089	1.1625	1.2690	0.8453	0.7799	1.1723	0.9361	0.9246
2-phenylpropanol NIST	2.8299	0.3689	0.9780	1.9658	1.0176	0.9507	0.9650	1.0374	0.7740	0.4432	2.1713	1.3543	1.4930	0.5558	1.3221	1.1814	1.0696	0.9445	1.0745	0.9396	0.6214	0.4060	1.1983	0.4036	1.0762	0.6239	1.0399	0.6957	0.8781
3-aminoisobutyric acid	1.1668	0.4647	0.7512	0.7780	1.0987	1.0451	1.0590	0.4937	0.8342	0.6741	1.7512	0.8793	0.5254	0.8209	1.3138	1.0651	0.6586	0.7370	3.2129	1.8838	0.8726	0.4866	1.0089	1.2017	1.1893	1.0257	0.8461	0.8705	0.9906
3-hydroxybutanoic acid	0.1989	0.1476	0.4107	0.1710	0.6442	0.6034	0.8535	0.2634	0.6099	0.2509	0.1672	1.2715	0.5931	1.9966	0.1861	1.0629	0.6929	1.8229	3.6316	3.8555	2.5908	1.8503	0.8157	0.4170	1.1072	0.6553	0.6591	0.7294	1.0466
3-phenyllactic acid	0.7153	0.7081	0.3649	0.6828	0.5311	0.9574	0.6219	0.5022	0.9502	0.4371	1.0911	0.6340	0.4986	0.7569	2.1027	0.5720	1.0098	0.6991	0.6937	0.6268	0.6828	0.4408	0.8032	0.6503	0.7527	0.6720	1.4383	2.6066	1.0626
3-phosphoglycerate	0.9875	0.1024	1.9700	3.0106	1.5748	0.8016	1.4969	0.2617	0.4610	0.5753	0.2719	1.6901	1.5679	1.5300	1.2303	0.4619	0.6303	0.6360	1.5331	0.8023	1.4225	0.1479	0.7987	0.7561	0.4034	0.5639	1.5706	0.6929	0.8064
4-hydroxybutyric acid	0.4906	0.7887	0.7358	1.8792	0.7170	1.3792	0.7981	0.8075	1.0236	0.7925	0.7321	0.7748	0.7302	0.8698	1.5849	0.8553	0.8679	1.0736	2.3113	1.9981	0.8491	0.8717	0.7321	1.1094	1.0629	1.0226	0.8311	1.2547	1.0017
4-hydroxyproline	0.9304	0.2815	0.3893	0.5511	0.5131	0.6060	0.4702	0.2955	2.5399	0.4393	0.3694	0.4349	0.4482	0.5141	1.0822	0.5434	0.4632	0.4303	0.4792	4.9466	0.4652	0.3734	2.6322	0.4552	0.3913	0.5191	1.1545	1.4897	0.4302
5,6-dihydrouracil	0.3516	0.8334	0.4270	1.4247	0.7261	1.6199	0.5942	0.6484	1.8780	0.7124	0.5525	0.3783	0.6199	0.4715	0.7238	1.1237	0.5594	2.1268	0.7946	2.0595	0.5251	1.1964	0.5358	0.5457	1.1416	1.9339	0.7007	1.2849	1.0516
5-aminovaleric acid	0.4981	1.6262	0.5151	0.5719	0.6471	0.6592	0.6022	0.9394	0.6499	0.9039	0.7947	0.4927	0.5783	0.6067	0.9933	0.5052	0.4101	0.6975	3.2908	11.6072	0.4896	0.8713	0.6518	1.1594	0.7914	0.8046	0.7548	0.7115	0.8639
5^-deoxy-5^-methylthioadenosine	0.7951	0.8440	0.6942	1.4893	0.6040	1.1483	0.5642	0.6820	1.3242	0.7859	1.4495	0.6442	0.5031	0.5168	1.3976	0.8354	1.0719	0.7263	1.3440	4.2187	0.7645	0.3180	0.6198	0.4312	1.0102	1.3976	0.7993	1.3410	1.0765
5-hydroxynorvaline NIST	1.1232	0.7992	0.8338	0.8122	0.9936	1.2269	1.0147	0.6048	1.1232	0.7474	1.4257	1.0534	0.7517	0.9353	2.1644	1.1168	0.8943	0.8144	1.0800	1.2831	0.7863	0.5573	0.9965	0.8684	1.0815	0.9375	0.9018	0.9224	0.9365
5-methoxytryptamine	3.5183	2.3912	0.8954	0.7426	0.7900	1.4748	1.1245	0.5530	0.6004	0.8743	1.1113	0.8058	0.8085	0.9481	2.0594	1.1798	0.9191	1.5169	0.6557	0.6821	1.3905	0.5372	0.8006	0.6478	1.1008	0.7374	1.0534	1.2298	0.6964
acetophenone NIST	2.5822	0.1980	0.9804	1.9975	1.0027	0.3821	0.9297	1.1598	0.7793	0.2179	2.0296	1.4511	1.3219	0.3214	0.9594	1.4828	0.6818	1.3719	0.9202	1.0078	0.3627	0.2354	1.1292	0.3018	0.7976	0.3172	1.3480	0.6640	0.9429
adenine	0.9999	1.1486	0.6512	1.7639	0.6051	1.3127	0.7640	0.5999	1.1620	0.9076	1.8562	0.9025	0.5487	0.6281	2.0049	1.1879	1.0127	0.6204	1.2563	1.2178	0.6615	0.5230	0.8153	0.6358	1.1623	1.0768	0.8146	1.3998	0.9076
adenosine	0.8310	0.2358	0.5338	0.6519	0.1501	1.3470	0.6419	0.4920	1.3076	1.0393	3.7126	0.7625	0.2082	0.8505	0.4379	1.4447	1.7824	0.7171	1.2458	0.3190	0.4451	0.2351	1.6694	0.1017	0.9960	0.5349	1.0793	1.3379	0.9262
adenosine-5-phosphate	0.6433	0.4097	0.5658	2.0309	0.2002	0.8043	0.4068	0.4920	1.7465	0.3560	0.9559	1.0217	0.4581	0.6597	0.5013	1.0140	2.1925	0.3943	0.9720	1.1110	0.3864	0.0682	0.8887	0.1205	1.2270	0.9965	0.2856	2.2910	1.0543
adipic acid	1.6689	0.6599	0.5699	0.9094	1.0594	1.3096	1.1973	0.6163	0.6105	0.8658	0.7731	1.1130	2.8912	0.8590	3.0610	0.8356	1.0492	0.5495	0.8985	0.8985	1.0867	0.6626	1.0144	0.5836	0.9503	1.3076	1.0442	0.9128	0.8334
alanine	0.5370	1.3147	0.7826	0.6694	0.8676	0.8972	0.8122	1.3560	1.1349	1.3619	1.1387	0.7397	1.0267	0.8273	1.0081	0.9911	1.1893	0.8881	1.1494	1.1950	0.7229	0.9625	0.8730	1.5796	1.2955	1.0879	0.9220	1.0852	1.0969
allantoic acid	0.7712	1.0167	0.4439	0.9993	0.9733	1.4159	1.5396	0.4612	0.6450	0.5158	0.5381	1.2047	0.9026	1.9800	1.6639	0.7162	0.7055	0.6460	1.6688	1.0055	2.0978	0.6522	0.9191	2.9484	0.8042	0.9348	1.1915	0.7954	0.5882
alpha ketoglutaric acid	0.1102	0.7528	0.4039	1.4688	0.9226	0.4728	0.7470	0.5508	0.8664	1.2485	1.2210	1.1292	1.1475	1.8360	3.9566	0.5891	0.5829	0.7160	0.8216	0.9180	0.3488	0.6610	0.9976	1.3311	0.7773	1.3587	1.4723	1.4688	0.7426
aminomalonic acid	0.8101	1.0894	1.2165	0.8123	0.9477	1.1593	0.8790	0.8913	1.1654	1.3877	0.5994	0.7038	0.7064	0.8985	0.5593	0.8602	0.7010	0.9835	0.7239	1.1401	0.8123	0.8913	0.8782	1.0511	1.4341	1.1095	0.9741	1.2507	1.1972
arabinose	1.0307	0.9947	1.0620	1.1749	0.8157	1.4716	0.9632	0.9490	1.0322	1.3431	1.4416	0.8109	0.6908	0.7292	0.9731	1.1497	1.1881	0.7713	0.9514	1.4200	0.7088	1.2326	0.8137	0.5382	1.3999	0.6415	0.9337	1.1368	0.8780
arabitol	1.0922	0.6396	0.7724	1.0234	0.8536	1.4096	0.8481	1.2497	1.2005	1.6826	0.5264	0.9414	0.8118	0.9963	1.9040	1.1677	1.8204	0.8585	1.3899	0.8954	1.1070	1.0676	0.5100	0.0541	1.4399	0.9397	0.7687	1.0547	0.8211
arachidic acid	0.7909	0.4334	0.3756	0.6956	0.3878	0.3431	0.5169	0.4196	0.3463	0.2648	0.9081	0.6976	0.4775	0.3091	0.6978	0.4684	0.3155	0.8157	22.6039	0.3952	0.2879	0.2697	0.5148	0.3416	0.3512	0.2592	0.4390	0.6470	0.5303
arachidonic acid	0.3789	1.4079	0.5635	1.7400	0.6816	0.5755	0.7829	1.6170	1.0065	1.6191	0.9167	0.8597	0.6472	0.4195	1.0282	1.0581	0.4963	1.3313	0.1173	1.0845	0.6108	2.5155	0.7394	0.1034	1.1384	1.0098	1.1417	1.6442	1.0046
ascorbic acid	0.5542	0.6840	0.3795	0.5842	0.7664	0.9461	0.8063	0.3195	3.4763	0.4494	0.8688	0.9778	0.6416	1.1758	1.8224	0.5808	0.6316	0.5692	0.4469	0.4469	1.1484	0.5193	0.9203	0.4444	0.5792	0.5991	0.8163	0.8450	0.6640
asparagine	0.7427	1.5362	0.7590	1.0537	1.0132	1.1183	0.8080	0.9131	1.0643	0.9414	0.6946	0.8897	1.0223	0.8481	0.6626	0.8566	0.6707	0.9869	0.9359	1.4109	0.5598	0.5336	1.2001	1.1108	1.0358	1.4981	0.9712	1.2496	1.1168
aspartic acid	2.5145	0.3048	1.1624	1.6574	1.2488	1.2783	0.9642	0.6644	0.8663	0.9397	0.6463	0.9704	1.0899	1.0028	0.7816	1.3234	0.9175	1.1068	0.8691	0.8999	0.8867	0.7000	1.1530	0.9585	0.5488	1.5391	0.9282	0.9242	1.0097
azelaic acid	1.2265	0.8278	0.6828	1.1480	0.6737	1.2719	1.2062	0.4713	0.5619	0.8640	0.7915	1.3927	1.3021	0.4290	3.4077	0.8942	0.9546	0.5106	1.9848	1.0000	1.5407	0.4048	0.7210	0.4229	0.8519	1.2205	1.3051	1.0007	0.7452
behenic acid	1.2568	0.5142	0.9349	1.3975	0.8069	1.2459	0.9072	0.7229	0.7902	0.7668	1.0536	1.0142	0.5966	0.8866	2.3610	1.2605	1.2129	0.5037	0.9470	0.7306	0.9646	0.6405	1.5509	0.7174	0.7108	0.8196	1.3287	1.1952	0.7540
benzoic acid	1.4750	0.4668	0.7001	1.3838	1.1043	1.3302	1.1224	0.6278	0.7603	0.6611	1.2722	1.1869	1.0280	0.9341	2.4721	0.9583	1.1309	0.8329	1.0230	0.8622	0.9403	0.6533	1.1550	0.8230	0.8810	0.8198	1.1057	0.9828	0.8294
beta-alanine	1.0221	0.9825	1.0886	0.8186	0.5208	0.4676	1.3168	0.6679	1.1610	0.6758	0.7364	0.8149	1.3141	0.7430	0.9178	0.7457	1.1538	0.6717	0.8800	0.9981	1.9390	1.0761	0.9549	1.2230	1.2822	1.3600	1.0418	0.9438	1.0235
biuret	0.7556	0.3097	0.5244	0.8878	0.7143	1.3027	1.2253	0.3097	0.5012	0.4625	0.6730	1.5505	0.7763	2.0873	1.6599	0.6262	0.8155	0.6503	1.2718	0.7205	1.4411	0.5285	0.8905	1.1727	0.6428	1.0736	1.4189	0.9605	1.1130
capric acid	1.7938	0.6582	1.1628	0.7443	1.4303	0.9645	1.0777	0.4870	0.7406	0.9159	1.2757	1.4132	1.0020	0.9185	2.2744	1.1440	1.1396	0.6846	0.9293	0.9357	0.7743	0.4962	1.2396	0.8675	0.9822	0.8147	1.0879	0.9575	0.6453
caprylic acid	1.5887	0.5885	0.7873	0.8882	1.3256	0.9221	1.2065	0.4765	0.7529	0.7005	1.3560	1.3885	1.0148	0.8736	2.2679	0.9482	0.9766	0.8003	1.3343	0.7628	0.8859	0.2816	1.1023	0.9687	0.8117	0.5624	1.0395	0.9507	0.9186
cellobiotol	0.6815	2.3442	0.2709	0.6795	0.9632	1.5098	0.5494	1.5424	1.1093	1.7371	3.6973	0.5742	0.3588	0.6518	1.5370	1.8898	0.6463	0.8590	0.5707	0.3430	0.5213	0.5655	0.7552	0.7955	1.3967	0.6380	0.8582	1.1570	1.0614
cholesterol	1.0674	0.7936	0.6897	1.7182	1.0484	1.5121	0.9805	0.6470	0.8596	0.8234	1.7231	1.0927	0.7735	0.9454	2.2546	1.0065	1.0072	0.9936	1.1396	1.1018	0.9628	0.6973	1.2723	0.9597	0.9768	1.0942	1.2826	0.9946	0.4718
citric acid	0.9198	0.2679	1.4884	0.7094	1.4769	1.9980	1.3856	0.4174	0.5223	0.9080	0.2383	1.6039	1.1693	1.6639	1.0738	1.1569	0.8447	0.2998	0.6867	0.3587	1.4665	0.3888	1.3358	0.3725	0.4497	1.1902	1.1279	0.8605	0.8301
citrulline	0.8468	0.7460	0.5092	0.7871	1.2767	1.2114	1.1841	0.4495	0.6691	0.4943	0.4234	1.5023	1.1228	0.9848	2.1169	0.7305	0.6071	0.5316	0.9400	0.8561	0.7143	0.6826	1.5095	1.5257	0.7833	0.8113	1.3366	0.9235	0.9612
conduritol beta epoxide	2.4074	0.4852	3.3428	1.7473	1.2078	1.0824	0.7484	0.5225	0.8805	1.1945	1.0728	1.6645	0.6571	1.5768	1.3134	1.5755	1.3398	1.6044	0.8060	0.6668	0.3873	0.2569	0.5077	0.3285	0.6848	0.4688	0.5505	0.7746	0.9935
creatinine	0.3423	1.3101	0.8933	0.4595	0.5538	0.8305	0.7515	0.4961	1.1522	1.3655	1.2695	0.6486	0.7287	0.6692	0.5993	0.8233	1.2935	1.3351	2.5469	3.3758	0.6785	1.0200	0.5967	0.7478	1.1320	1.5715	0.9410	0.9803	0.9958
cysteine	1.0349	1.4729	1.2552	1.2149	0.9796	1.0587	0.6431	1.1000	1.3095	1.6801	0.9069	0.7405	0.7889	0.5963	0.2410	1.0143	1.1602	1.0811	0.4468	1.9222	0.8248	2.5405	0.8322	0.1302	0.7697	1.0158	0.8298	1.2959	1.0616
cysteine-glycine	1.6444	2.5811	0.5745	1.2239	1.9296	1.5507	1.0840	0.7827	0.5750	0.5121	0.9409	0.9769	1.0782	1.2094	1.7818	1.0831	0.6848	0.5308	0.7577	1.0179	1.0699	0.6078	1.2267	1.1115	0.8187	0.7244	1.0507	0.9513	0.9048
cystine	0.6507	0.8635	0.8092	0.7571	2.5479	0.7956	1.1005	0.4094	0.9493	0.7366	0.3411	1.3569	2.0083	1.3811	0.8407	1.1820	0.5554	0.5146	0.4361	1.2373	0.5378	0.5025	1.8649	0.2678	0.5872	0.6823	0.8779	0.8391	0.8805
cytidine-5^-diphosphate	0.8050	1.9571	1.3060	0.3185	0.6122	0.6643	1.2999	0.9695	0.9984	2.5021	1.7568	0.6099	0.8749	1.3815	0.8694	1.0342	0.4634	1.9512	0.6073	0.6261	1.3532	2.9872	0.4978	0.6530	0.8297	1.2493	1.1879	0.6785	0.9718
cytidine-5-monophosphate NIST	1.4860	1.6491	0.7112	1.7671	0.4000	1.0542	1.2226	0.6542	1.2695	0.7815	2.0461	0.5697	0.3944	0.4298	0.7914	1.0569	1.1689	0.3182	0.4013	1.2819	0.5143	0.2512	0.8016	0.1220	1.5324	1.2302	0.6512	2.1054	0.5940
digalacturonic acid	0.9686	1.7917	0.6074	0.8677	0.9522	1.4962	0.7132	1.3157	0.9677	1.7683	3.0183	0.6578	0.4843	0.8537	1.6604	1.5279	0.7047	0.9463	0.6144	0.4995	0.6895	0.6871	0.8630	0.7340	1.2742	0.7059	1.0706	1.0152	1.0470
dihydroabietic acid	1.1446	0.7495	0.4271	1.1424	1.7233	2.1130	1.0156	0.6726	0.6169	0.9396	0.3288	0.8986	0.6129	1.0720	6.6112	0.7876	1.2834	0.6588	1.6101	1.2823	0.7986	0.8179	1.1638	0.8734	1.0442	1.0955	1.1278	1.0770	0.3609
dihydrosphingosine	1.6949	0.9988	0.8441	2.7711	1.8681	1.2678	0.9816	0.3733	0.5301	0.5683	0.9349	1.1047	1.3099	1.0677	3.4571	0.6070	0.7752	0.5583	0.8206	0.4826	0.6390	0.4405	2.9560	1.0089	0.7141	0.4876	1.2573	0.8576	0.6875
dodecane	0.6925	0.3476	0.7105	1.7672	1.0947	1.3209	1.0141	0.3766	0.6767	0.7187	1.7369	1.2349	1.1299	0.9588	3.0060	1.3241	1.2664	0.8981	0.8195	0.9091	0.8636	0.5311	1.1579	0.4194	0.7321	0.5822	1.2187	0.9748	0.7060
dodecanol	1.5784	0.5167	0.8348	1.2197	0.9624	1.3423	1.1663	1.8012	0.7335	0.7071	1.3190	1.4801	0.9655	0.7821	2.0241	1.0505	0.9492	0.8419	1.0465	0.6777	1.1995	0.5511	1.0495	0.7071	0.8672	0.7456	1.1015	0.8360	0.7810
erythritol	0.5391	0.4124	0.8972	0.8309	0.9938	0.9998	1.0884	0.8550	1.1288	0.4848	0.8550	1.2309	0.7464	1.0371	1.3278	0.9392	0.9023	0.8510	1.4635	0.9043	1.4525	0.8228	0.8785	0.3339	1.1668	0.7987	0.9488	1.0934	0.9292
erythronic acid	0.7965	1.3177	0.6982	1.2145	0.8998	1.0866	0.9047	0.5310	1.1807	1.0916	2.1389	0.8260	0.9490	1.0399	1.9373	1.0121	1.2907	0.9809	0.8605	1.1604	0.6490	1.1112	0.9113	0.8162	0.9359	1.7160	0.9938	1.0190	0.7878
erythronic acid lactone	0.1750	0.3406	0.0882	0.0285	1.6991	0.7092	1.0718	0.2433	0.7058	0.3592	0.7661	1.2632	1.0797	1.2280	1.1965	0.6559	1.0609	0.2791	0.9467	0.9614	1.1905	1.4172	1.3537	1.8015	0.9076	0.3704	1.3655	0.7675	1.5013
ethanolamine	1.0388	1.1010	1.1086	0.7752	0.8670	1.2530	0.9001	1.1747	0.9916	1.1371	0.6254	0.6211	0.7005	1.0121	0.3344	0.7214	0.6826	1.3084	0.7664	1.1110	0.7935	0.6219	1.3014	0.8876	2.1430	0.6830	1.0305	1.2689	1.0445
ethanol phosphate NIST	2.1320	2.4932	1.4426	0.7655	0.7273	1.2601	0.7741	0.8612	0.9288	0.8265	3.0637	0.7890	0.8391	0.9242	0.8041	0.9844	0.5470	0.9387	0.9775	0.6440	0.9314	1.0920	1.1824	0.5618	1.4163	0.3559	0.9782	1.1915	0.9487
FAD	1.3748	1.3529	0.7605	1.3821	0.8958	1.6819	0.8903	1.0969	0.9973	1.8721	2.7423	0.8373	0.6179	0.8446	2.2670	0.8605	1.3382	1.0640	0.8337	1.4260	0.7313	0.9360	0.7362	0.6435	0.8702	1.5137	1.0357	0.9571	0.7638
fructose	0.8732	1.3687	0.4038	1.0279	0.4333	0.7591	1.1690	0.7735	0.5087	1.0475	3.3628	0.5482	0.5487	0.9892	1.2324	1.5169	0.4857	0.5087	2.1291	0.5225	0.5375	0.8168	0.6883	0.4628	2.5089	0.4248	0.8474	1.5318	0.8309
fructose 1 phosphate	0.9137	0.9615	0.6509	1.2780	1.0779	1.8394	1.0458	0.6271	0.8712	0.6271	0.8958	0.7485	0.7793	0.7435	1.6960	1.2223	0.6420	0.7166	1.6274	0.8421	0.9436	1.0511	1.4830	1.1466	0.6868	1.1884	1.0914	1.0548	0.8494
fructose-6-phosphate	0.6697	2.5230	0.4211	1.0659	1.5997	0.5131	1.1900	0.1442	0.5562	1.1537	0.2420	0.9838	1.6859	1.2134	1.7174	1.5502	0.1906	0.3009	1.4563	0.6738	0.5835	2.0638	1.7273	0.9432	0.8874	2.8860	1.1191	0.4003	0.9051
fucose	0.7264	0.7872	0.4618	1.2895	0.8689	1.4920	0.6930	0.8277	1.1026	0.8898	1.2881	0.8362	0.5691	0.6738	1.2287	0.8288	0.6981	0.8540	1.2057	3.2999	0.8088	0.7021	0.8934	0.6441	1.0307	1.3691	0.8469	1.2726	1.0634
fucose+ rhamnose	0.4784	0.5307	0.6702	1.0034	0.5979	1.1893	0.5077	0.6640	1.9304	0.5471	2.3576	0.5413	0.3487	0.4838	0.9337	0.6989	0.7120	0.8260	1.2670	4.3499	0.5240	1.0937	0.6490	0.5384	1.1957	1.2496	0.6320	1.3203	0.9736
fumaric acid	1.1198	0.3246	1.0649	1.2472	1.5047	0.9584	0.9999	0.9316	1.0020	1.4115	0.3938	1.2092	1.3060	1.0947	0.9687	0.9037	0.9712	0.7041	1.2555	1.1405	1.8004	0.3498	0.8675	0.6990	1.0163	1.1231	0.5711	1.3140	0.9190
galactose-6-phosphate	1.0345	1.9320	0.5763	1.0628	1.4454	0.8337	1.0705	0.3259	0.6247	0.8880	0.5716	1.0038	1.4313	1.0038	2.7492	1.3604	0.5834	0.3850	0.8786	0.5905	0.9400	1.9084	1.0597	1.1289	0.8676	2.0784	1.2482	0.5958	1.0245
gamma-tocopherol	1.4130	1.6596	0.6989	1.8955	1.0062	0.7097	0.6813	0.4371	0.9856	0.6708	4.2108	1.3502	0.5366	0.5052	1.4671	1.6481	0.8222	0.7660	0.3960	1.2485	0.7595	0.9802	0.5929	0.3916	1.1663	0.5842	0.9129	0.9851	0.8961
gluconic acid	0.9974	0.9658	0.7323	1.2720	1.4566	0.6376	2.4280	0.7259	0.4308	1.1868	0.5555	1.1200	1.7423	1.1331	1.3604	0.6944	0.4845	0.4624	1.0163	0.7622	1.5718	1.0700	1.1163	0.5145	0.6397	0.5334	0.9808	0.6048	0.9350
glucose	0.3714	1.1345	1.3383	0.2361	1.0659	0.6483	1.5301	0.3860	0.4498	0.5962	0.1408	1.8539	1.1779	2.4127	0.6350	1.0109	1.0703	0.5265	0.8025	0.3378	1.8383	1.1836	1.2069	1.2057	0.6530	0.5156	1.1015	0.5772	1.0331
glucose-6-phosphate	0.9362	1.8105	0.4105	0.9097	1.3852	0.7029	1.1522	0.1595	0.5493	1.0692	0.7620	0.9362	1.6185	1.4620	1.5358	1.4713	0.2998	0.3470	1.2995	0.7812	0.5996	2.6552	1.2129	1.2021	0.9126	2.7556	1.1666	0.5268	0.9356
glucuronic acid	0.6463	0.9560	0.6553	0.9291	0.9089	1.2118	1.1164	0.5880	0.9509	0.7406	0.5431	1.1355	0.6777	1.5193	1.1580	0.9036	0.9717	0.8483	1.6158	0.8595	1.4093	0.6957	1.0652	0.7944	1.1460	0.9829	0.8079	1.1630	0.9445
glutamic acid	0.9768	0.5223	1.2285	0.9491	0.8562	1.0838	0.8907	0.7490	1.2200	1.3503	1.2432	0.7839	0.9882	0.7209	0.5091	1.2172	1.3214	1.0533	0.7104	0.8933	0.6338	0.7521	0.8807	0.6142	1.1793	1.7410	0.7842	1.2317	1.0307
glutamine	0.6921	0.8807	0.6160	0.6646	1.0095	1.2311	0.9062	0.5867	0.9393	0.7111	0.8729	1.6778	1.1104	0.8669	0.9272	1.0341	0.7441	0.9159	1.0877	1.0941	0.6468	0.6843	1.1543	0.6603	0.9971	1.0006	1.0877	0.9243	0.9279
glyceric acid	1.3993	0.3060	0.8969	1.6062	1.1352	0.8591	0.7800	0.7319	1.1398	2.1499	1.3692	0.6350	0.7393	0.7014	0.5985	1.1220	1.5944	1.1590	1.0887	1.1431	0.5914	1.1000	0.7302	0.6245	1.5971	1.1507	0.8864	0.9846	1.0873
glycerol	1.0464	1.1254	0.7664	1.1512	0.6728	0.9983	0.8525	1.4824	0.9276	1.3121	0.7476	0.7244	0.8050	0.9757	1.0638	0.9415	0.7978	1.4191	1.2073	1.4132	1.1114	1.5430	0.6493	0.7115	1.1810	0.8748	1.0423	1.1992	1.0919
glycerol-3-galactoside	0.5051	1.8258	0.2447	0.9505	0.3827	0.6478	0.3910	1.4415	0.6974	1.4195	0.7968	0.4076	0.2800	0.5113	0.4565	0.4808	0.4517	0.6368	0.2972	1.2423	0.3608	0.7011	0.4178	0.4596	0.6076	0.6306	1.2421	3.6969	1.2981
glycerol-alpha-phosphate	1.7232	2.1526	1.0314	1.3384	0.3801	0.6933	0.7281	0.5698	0.8942	1.7228	7.6431	0.8640	0.5992	0.8506	1.1873	1.4226	0.9619	0.6919	0.8823	0.4605	1.0386	0.9615	0.6125	0.4389	1.5372	0.5964	0.6100	1.1985	0.8824
glycerol-beta-phosphate	1.7591	0.4891	0.8014	1.5330	0.9391	1.0337	0.9967	0.6699	0.8569	1.2207	1.4221	0.9234	0.8282	1.0604	2.5441	1.0487	1.2453	0.9823	0.8508	0.9124	0.9617	2.5564	0.8713	0.6083	1.2494	1.1097	0.8975	1.0742	0.7581
glycine	0.9879	0.7428	1.2983	0.9285	0.9850	1.0340	0.9916	1.2645	1.1431	1.1531	0.7258	0.8687	1.0530	0.8885	0.7179	0.9764	0.9128	1.1255	0.7357	1.1645	0.8078	1.1196	0.9839	0.8831	1.1643	0.8591	0.9932	1.0772	0.9508
glycocyamine	0.8247	0.9660	0.7381	0.9250	0.8908	1.0525	0.8395	0.5331	0.7074	0.8612	1.1072	0.9432	1.0229	0.8088	1.6130	1.0449	0.9204	1.3168	1.0958	2.1552	0.8657	1.0297	0.8718	0.7746	0.9781	1.4854	0.9756	1.1044	1.1396
glycolic acid	1.8167	0.5422	0.7680	1.3217	0.9331	1.3921	1.0301	0.7231	0.8389	1.3859	1.0263	1.0719	0.8786	0.8739	2.7170	0.8286	1.0719	0.7811	1.1326	0.8306	0.8948	0.8190	1.0918	0.7471	1.0575	0.8237	1.0351	1.0279	0.9244
guanine	1.0155	0.2211	0.4695	0.5904	1.3294	0.6734	1.0347	1.3619	1.0400	1.1903	0.6206	0.7472	1.2562	1.0206	0.8300	0.9612	0.3552	2.1370	0.9415	0.8274	0.9000	1.3109	1.2236	1.5356	1.4220	0.7609	1.0746	0.8285	1.0113
guanosine	1.6837	0.7247	1.5688	1.4392	0.7291	1.0827	0.9860	0.8371	0.8190	1.6727	1.7458	0.7546	0.9586	0.9130	1.5015	1.2664	0.4341	1.4932	0.4261	0.8042	1.0380	1.2764	1.2479	0.2977	1.3228	0.8329	1.2051	0.7176	1.0043
histidine	0.4737	1.0077	0.7162	1.2396	1.3073	0.8206	1.0096	0.7472	0.7315	0.5475	0.3025	1.5328	1.6288	0.9255	1.0899	0.7397	0.4794	0.7254	0.7134	0.9149	0.9167	0.6952	1.9307	1.4631	0.7243	0.9483	1.3275	0.7981	1.0321
homoserine	0.7727	0.5795	0.9314	0.7589	0.9073	1.2074	0.9280	0.5243	0.9564	0.8624	1.4075	0.9257	0.7624	1.1591	2.5458	0.9372	1.0038	0.8141	1.2143	1.6075	0.6899	0.7244	0.9935	0.6899	0.9199	1.2971	0.9021	1.0487	1.1407
hydroxycarbamate NIST	1.7279	0.5173	0.8417	1.5477	1.2477	1.2615	1.1552	1.0113	0.7722	0.7632	1.5731	1.1470	0.9498	0.9487	2.7434	1.1155	1.1565	0.9519	0.9127	0.6487	1.3802	0.6127	0.9300	0.7526	1.0353	0.7463	0.9151	0.9201	0.7840
hydroxylamine	1.7108	0.3960	0.7745	1.7977	1.0882	1.5754	1.1297	0.8453	0.6388	0.5203	1.6402	1.4049	1.0366	1.0723	3.2582	1.0288	0.9220	0.9445	1.0627	0.7386	1.2103	0.4813	1.1621	0.4445	1.0147	0.7371	1.1794	0.7687	0.6042
hypoxanthine	0.8220	1.1990	0.4671	0.7289	1.0667	0.9013	0.9127	1.4171	1.0664	1.1576	0.9963	0.7171	1.2066	0.9282	0.6096	0.9039	0.3156	1.7024	0.7145	1.2667	0.7749	1.1694	0.8462	1.5445	1.1618	1.1689	1.0521	1.1574	1.0535
icosenoic acid	0.8981	1.5901	0.4931	1.7293	1.0331	1.1169	0.9805	0.9933	0.7130	0.6494	0.3822	0.8940	0.6210	0.9926	2.2622	0.8888	0.6465	0.7716	1.0956	0.5776	0.9819	0.7730	0.9127	0.7958	0.4334	0.5116	1.5372	1.7183	0.7670
indole-3-lactate	0.6319	0.9325	0.7707	0.6165	0.9768	0.7071	0.8458	0.4740	0.9470	0.6204	0.6281	1.0571	0.7899	0.7437	1.6492	1.1547	2.5336	1.1155	0.8208	0.9383	1.5452	0.9710	0.9749	0.5934	1.1187	1.0789	1.1733	0.9802	0.9017
inosine	1.6909	1.1728	1.6813	1.5116	0.7050	1.0285	0.9649	0.8837	0.8982	1.5608	3.1513	0.8114	0.9056	0.7941	1.2636	1.3639	0.5505	1.3085	0.3775	0.8259	0.9279	1.0006	0.9696	0.1910	1.1642	0.8427	1.0659	0.8082	0.9755
inosine 5^-monophosphate	0.3771	0.2066	0.2480	0.6535	0.2970	0.4081	0.2974	0.5579	1.8223	0.3513	0.3771	1.0870	0.3229	0.3513	0.9040	0.9897	5.4979	0.1821	0.3526	2.9614	0.2660	0.2196	0.4477	0.3151	1.7831	5.2874	0.3519	1.3270	0.7720
inositol-4-monophosphate	1.1731	0.4335	0.8525	1.3225	1.1604	1.4810	1.0483	0.4918	0.5146	0.7760	0.9618	0.9600	0.7960	0.8270	2.3098	1.0225	0.8179	0.6722	1.4573	0.5683	1.2387	0.6121	1.0577	1.0747	0.8282	0.6922	1.8362	0.9582	0.7877
inositol allo-	3.7747	1.5154	0.9132	0.7833	1.1671	1.4013	0.9766	0.6258	0.5260	0.8817	0.9525	1.1749	0.5570	1.3068	1.9877	0.8443	0.7341	1.6689	0.6928	0.7577	1.4682	0.3857	1.1625	0.6258	0.9867	0.5983	0.9009	1.2108	0.9377
inositol myo-	1.2734	0.1894	1.0077	0.6012	1.2302	1.2395	1.0419	0.6464	1.1211	1.1865	1.0309	1.0413	0.9231	1.0185	1.0173	0.9098	1.4194	0.9364	0.7452	0.5232	1.6804	1.2147	0.6073	0.6546	0.6837	0.9143	1.0070	1.1418	1.0487
isoheptadecanoic acid	1.4896	0.6058	0.9634	1.8849	0.8702	1.0560	1.0280	0.9705	0.8105	0.7142	1.5091	1.1698	0.9497	0.8262	2.2000	1.0892	0.9458	0.7851	1.1728	1.1763	0.8380	0.5802	1.1009	0.7904	0.8064	0.6867	1.0052	0.9908	0.9169
isoleucine	0.5581	2.3717	0.6506	0.9653	0.9659	0.9845	0.8581	1.3162	1.0837	0.9398	0.8449	0.7291	1.0256	0.7957	0.9059	0.7766	0.7247	1.1946	0.9186	1.4826	0.8747	1.3598	0.8956	1.0784	1.0733	1.1309	1.1217	1.0740	1.0865
isothreonic acid	0.6404	1.0781	0.7456	0.5897	1.1619	2.3128	0.8330	1.0639	1.0468	2.1732	0.9431	0.9816	0.7151	0.9080	0.8807	0.8909	1.2548	0.6553	1.0846	1.7166	1.5159	0.7625	0.6742	0.5534	1.0366	0.8781	0.7760	1.0145	1.0920
kynurenine	1.1223	3.6896	0.5819	2.8718	2.1071	1.3564	0.9279	1.7984	0.5963	0.5453	0.3007	0.4550	2.1939	0.8802	1.9157	0.4256	0.2910	0.7182	0.6803	1.4738	0.9035	0.2029	1.8575	0.5061	0.5860	0.2910	1.3749	0.8885	1.1060
lauric acid	1.4374	0.6216	1.3050	1.1097	1.2721	0.7695	0.9589	0.4365	0.9596	0.6635	1.7124	1.3553	0.9481	0.6574	1.3392	1.0618	1.0512	0.6722	1.0867	0.8976	0.5731	0.5060	1.2483	0.9232	0.8344	0.5173	1.2112	1.1293	0.7024
leucine	0.7016	3.3182	0.6912	0.9814	0.9868	0.8610	0.8393	1.8783	1.0773	1.1978	0.7679	0.6815	0.9699	0.8018	1.0440	0.6956	0.6524	1.1031	0.7965	1.3508	0.8253	1.4125	0.9503	1.8294	0.9813	1.0171	1.1250	1.0014	1.0989
levoglucosan	1.1876	0.4301	0.5573	0.7981	0.7034	1.1376	1.2627	0.8305	1.3009	1.0497	1.4500	1.5082	0.6114	0.5911	1.7557	1.3103	0.8319	0.4883	0.8441	0.7007	0.7196	0.5329	0.7404	0.4356	0.9505	0.7683	0.8711	0.8650	0.9207
linoleic acid	0.6008	1.0854	0.5223	1.7224	0.8329	0.4355	0.9801	2.4112	0.7700	1.2802	1.1506	0.9660	0.9299	0.8290	1.3258	1.0479	0.7104	1.2731	0.4017	1.3509	1.3595	1.7436	0.7192	0.3644	1.2765	0.8875	1.1100	1.1242	1.0084
lysine	0.5376	0.2277	0.7604	1.9377	1.8905	0.7260	1.1100	0.1802	0.3148	0.2163	0.2937	1.8871	1.6366	0.9063	2.8098	0.5353	0.4607	0.1800	0.5911	0.4502	0.7310	0.1801	3.3486	1.1630	0.7247	0.4352	1.8256	0.5381	0.7537
maleimide	1.4924	1.7608	1.2439	1.2823	0.9571	1.2498	0.9813	0.6336	0.7456	1.1722	1.4824	1.0563	0.7303	0.8821	2.0660	0.9680	0.7237	0.6845	0.7554	0.6328	0.5953	0.8004	0.9077	1.2523	1.4335	1.3073	1.1241	1.1447	0.8384
malic acid	0.8582	0.4178	0.7645	1.3402	1.1541	1.1304	0.8144	0.9340	1.0339	1.5315	0.6349	0.8405	0.9367	0.6245	0.4964	1.1839	1.3463	1.0589	2.0546	1.3784	1.1162	0.5490	0.8861	0.5219	0.9900	1.3279	0.6331	1.3309	0.9852
maltose	0.6413	2.3774	0.2407	0.6109	0.9830	1.5302	0.5518	1.6214	1.0829	1.7509	3.7969	0.5746	0.3527	0.6613	1.5759	1.8881	0.6722	0.8149	0.5793	0.3203	0.4961	0.5804	0.7323	0.8515	1.3778	0.5945	0.8532	1.1792	1.0657
maltotriose	0.8681	1.0022	0.0584	0.7561	1.7844	1.8083	0.5063	1.1439	1.0250	2.6148	0.5662	0.6709	0.2452	0.8226	2.7345	2.2271	0.1560	0.7898	0.6313	0.5703	0.7614	0.6254	0.9592	0.1378	1.1094	0.5112	0.9905	1.1025	1.0017
mannitol	0.4792	0.2882	1.5811	1.0241	0.8226	0.5736	1.3170	0.7718	0.7884	0.8091	0.2815	1.9278	1.1249	0.6620	0.4825	1.2519	1.0382	0.8313	0.6088	0.5084	0.9462	0.5508	1.5792	0.3044	1.2299	0.5742	0.7900	0.6684	1.1724
mannose	0.8566	0.7535	0.1786	1.0228	0.9566	0.5978	0.9103	0.5922	0.8428	0.9017	0.6279	1.1708	1.0273	1.2765	0.7916	1.3972	0.1262	0.4251	1.1198	0.8940	1.4176	0.2549	1.8472	0.4763	1.7637	0.9830	0.8856	0.9576	1.1429
methanolphosphate	4.0530	0.9200	0.8199	3.5842	1.0085	1.4107	0.8446	0.6396	0.8826	0.8658	1.1075	0.8410	0.8037	0.7761	1.2343	0.9558	0.9138	0.5218	1.1572	1.0974	0.6503	0.4839	1.2192	0.4625	1.0539	0.9901	0.8125	1.2534	0.8739
methionine	0.6996	3.2146	0.7706	1.1414	1.1565	0.9506	0.8726	1.5474	1.0554	1.1414	0.7102	0.7450	1.0189	0.8551	1.0479	0.7613	0.5276	1.0939	0.2883	1.3145	0.7079	1.5103	0.9230	2.1854	0.9064	1.0054	1.1141	1.0092	1.1079
methionine sulfoxide	0.6335	0.7862	0.3474	0.8668	0.7319	2.8861	1.4300	0.4840	0.4740	0.7808	0.4818	0.9258	0.9765	0.8652	1.3637	0.4915	0.4802	0.4651	4.3933	0.6593	0.7453	0.5109	0.8966	3.5276	0.6249	0.9314	1.4390	0.7113	0.7914
myristic acid	1.4612	0.6781	0.9520	2.0041	0.8992	0.9800	1.0013	1.0294	0.7678	0.8023	1.4344	1.2097	1.0571	0.8592	1.7042	1.1067	1.0048	0.7998	0.9636	1.0205	0.8747	0.7518	1.0326	0.7063	0.9150	0.5880	1.1284	1.0267	0.8568
N-acetyl-D-mannosamine	1.3778	1.0169	0.7116	1.3345	0.8034	0.9839	0.7907	0.7590	1.1728	0.8168	1.1922	0.6848	0.8941	0.8096	1.5593	0.9966	1.4242	1.8006	0.8972	1.6841	1.0664	1.2458	0.7219	0.8725	1.2224	1.1984	0.8325	1.1068	0.9011
nicotinamide	0.4896	2.0660	0.8075	0.3510	0.6837	1.2052	0.7721	1.8778	1.2208	1.8402	1.2309	0.5362	0.7848	0.9438	0.4309	0.8892	0.9161	1.4816	0.4834	0.8456	0.9313	1.3640	0.7904	0.8732	1.3915	1.1867	0.9631	1.1842	1.1825
N-methylalanine	0.3038	0.0074	1.2517	0.6804	1.0365	1.0136	0.9688	0.6339	1.1241	0.6849	1.3046	0.9225	1.2315	1.0988	0.7321	0.9963	1.4398	1.1351	0.8899	1.7660	0.9054	0.9082	0.9124	1.0997	1.2623	1.5139	0.8342	0.8428	1.0618
octadecane-1,12-diol NIST	1.6724	0.6928	0.3624	1.6445	1.0413	1.1488	1.0582	0.7804	0.7610	0.6650	0.8959	1.2881	0.7546	0.9975	2.9784	0.8249	1.0452	0.9039	1.0373	0.9377	0.8242	0.5814	1.2012	0.8123	1.0525	0.9557	1.2110	0.9641	0.7787
octadecanol	0.6655	0.3638	0.3793	0.6067	0.6738	1.4025	0.7304	0.6100	0.4491	0.4592	1.0537	5.5127	0.4209	0.7908	2.3347	0.5597	0.9854	0.3300	0.6499	0.5263	0.7908	0.3671	0.5701	0.6999	0.7309	0.8008	0.6351	0.7256	0.6279
oleic acid	0.8811	1.2514	0.6879	2.0341	0.9013	0.6515	1.0142	1.4404	0.6854	0.7066	0.9141	1.0995	0.8988	1.0731	1.0052	1.0258	0.6881	1.1711	0.7012	1.4468	1.1696	1.1554	0.9335	0.7138	0.9550	0.6744	1.2180	1.1245	0.9498
ornithine	0.5492	0.4604	0.8971	1.0243	1.5603	0.9978	1.2498	0.6358	0.5942	0.3764	0.5093	1.7278	1.4489	1.1811	1.3333	0.7253	0.5918	0.4791	1.1958	0.8286	0.9866	0.4404	1.5355	1.3943	0.5878	0.7069	1.3090	0.8233	0.9133
orotic acid	0.8179	0.6234	0.5835	0.8628	0.7007	0.8802	1.2293	1.2119	1.5990	1.1869	0.7331	0.7389	0.8902	0.7456	1.2318	0.7389	1.4862	0.5212	0.8353	0.5710	0.8827	0.4887	0.7447	1.0672	0.8096	1.4163	0.9694	1.2767	0.9453
oxalic acid	1.3065	0.1864	1.2650	0.7872	1.1029	1.1005	1.2033	0.6073	0.8942	0.7022	1.0593	0.9707	1.0764	1.1463	1.2276	1.3700	1.2003	0.7665	1.1033	0.6501	0.9818	0.4773	1.0744	0.4077	0.8323	0.8524	0.7076	0.9166	1.2566
oxoproline	1.0306	0.6997	1.0994	0.7050	1.0257	1.0185	0.9593	0.8751	1.1675	1.0675	0.9546	0.8549	0.9501	0.9983	0.5443	1.1805	1.0844	1.1947	0.9643	0.9624	0.8303	0.8013	0.7611	0.6091	1.0634	1.3467	0.9660	1.0256	1.0453
palmitic acid	1.7489	0.5237	1.0181	2.1615	0.9692	0.9054	1.0611	1.0907	0.8014	0.5856	1.6164	1.2818	1.0378	0.7381	1.6502	1.2450	0.9614	0.9148	1.1773	0.8943	0.7876	0.6358	1.1104	0.6506	0.6977	0.6034	1.0249	0.8851	0.8851
pantothenic acid	1.0438	0.4483	0.6446	1.0910	0.9760	0.9808	1.5114	0.5638	0.8952	0.8870	1.0246	1.1392	1.0621	1.1872	1.4046	0.9821	0.9438	1.2526	0.5243	0.8023	0.9399	0.7879	1.0467	0.5917	0.9011	0.9457	0.8945	0.9151	0.9854
pelargonic acid	1.6744	0.5590	0.7276	0.8462	1.6671	0.9955	1.0936	0.4037	0.7561	0.7678	0.9427	1.2902	0.7983	1.2282	2.3288	0.9687	1.0621	0.7492	1.4625	0.6696	0.9382	0.4714	1.2516	0.8965	0.8771	0.7734	0.8974	0.9913	0.9509
pentadecanoic acid	0.9970	1.3818	0.8823	1.3066	0.8571	1.1895	1.0904	0.7522	0.7325	0.9609	1.0262	1.1987	0.9058	1.1907	1.2468	0.9297	0.8824	0.6685	0.8508	1.0258	1.1841	0.7175	0.9559	0.9158	0.8621	0.7100	1.2666	0.9505	1.0259
phenylalanine	0.5761	2.9015	0.6384	0.8780	0.9844	0.9670	0.8619	1.6177	0.9965	1.4162	0.6579	0.7571	0.9546	0.8818	1.2153	0.7755	0.5387	1.0867	0.7217	1.4144	0.6106	1.3358	0.9871	1.7953	1.0990	0.9535	1.1130	1.0405	1.0840
phenylethylamine	1.7950	0.2879	0.8742	1.1349	1.6663	0.7224	1.3843	0.3956	0.8753	0.3145	1.1621	0.5114	1.4176	0.9880	0.7049	0.8910	0.6634	0.7788	0.4267	1.0356	1.1057	0.2302	1.7341	0.3223	1.0577	0.8988	1.3143	1.0702	0.9370
phenylpyruvic acid	0.7794	0.8944	0.5540	0.9296	0.9261	1.0775	0.9023	0.7230	1.0602	0.8850	1.2841	0.7555	0.7993	0.8252	1.4625	0.9578	0.9824	0.9402	1.1926	1.2172	0.7536	0.8263	1.2215	0.9461	1.1534	1.0799	1.2483	0.9789	1.0042
phosphoethanolamine	0.3629	0.3302	1.2100	2.1999	1.0292	1.2510	0.8673	0.3948	1.1579	1.2625	0.6160	0.9577	0.9821	0.9296	0.7100	1.1158	0.7454	0.9489	0.7241	1.0909	0.5504	0.2704	1.1234	0.1033	0.9929	1.8713	0.6384	1.4352	1.1261
phosphoric acid	1.8472	0.7399	1.1398	1.5107	0.9814	1.7810	0.9736	0.5555	1.0279	0.8604	0.9991	0.8771	0.7808	0.8533	1.3858	1.1583	1.1991	0.9696	1.6000	0.9924	0.9183	0.6299	0.7892	0.6631	0.8674	0.3858	0.8613	1.1729	0.8424
pipecolic acid	0.8559	0.8386	0.6441	0.5965	0.6787	0.9337	0.8408	0.7522	0.8943	0.9294	1.1153	1.0029	1.0029	1.0353	1.7032	1.1037	1.3055	0.9402	0.9402	1.1196	0.9294	0.8429	0.8905	0.8473	1.0994	1.2579	0.9991	1.1137	1.1537
proline	0.3948	2.0008	0.5110	0.7713	0.8335	0.7089	0.7346	1.4444	1.4688	1.2207	0.9951	0.6535	0.7423	0.6241	0.5374	0.9611	0.7145	0.9310	0.6683	1.2609	0.6309	1.1012	0.8655	1.0835	1.2629	1.1732	1.0650	1.1900	1.1588
pseudo uridine	0.3859	0.5549	0.6261	0.6650	0.8179	0.8462	1.0866	0.7828	1.1362	0.6294	0.6739	1.0983	0.8307	1.0136	0.9752	0.9826	0.8484	1.0553	1.1320	1.2727	1.3822	0.9207	1.2566	0.6605	1.1576	0.7161	1.0289	0.9704	0.9878
putrescine	0.8001	1.9730	0.4036	0.8452	0.9485	1.1194	1.0699	0.5033	0.7259	0.9900	0.5461	0.9651	0.6280	0.8084	2.2935	0.8432	0.6434	0.5354	1.2393	1.7700	0.5793	2.2151	1.3739	0.8571	1.1863	1.0898	0.9316	1.2663	0.8932
pyrophosphate	0.5663	0.1895	0.7238	1.1850	0.9510	0.9487	0.9989	0.7740	1.0312	1.0663	2.1737	1.0313	0.8425	0.7455	1.2718	1.1744	1.3083	0.6610	1.5241	0.8094	0.4635	0.6211	1.2467	0.5000	1.0450	0.6690	1.1499	0.9947	0.8565
quinic acid	0.6106	0.3675	0.4127	0.5880	2.3433	1.5886	2.0296	0.2601	1.9137	0.4353	0.7236	0.6322	0.4975	0.6134	1.7526	0.4947	0.7067	0.4268	2.5921	1.1137	0.6388	0.3166	1.2569	0.4805	0.4372	0.5371	0.9215	0.5766	0.5264
ribitol	0.6908	0.8459	0.5176	0.9163	0.6888	2.1126	0.7975	1.5366	1.2459	2.3623	1.4057	0.5431	0.5428	0.5025	1.2325	1.2211	0.9798	1.1822	0.7814	1.1359	0.7572	0.8821	0.5505	0.3686	1.2856	1.4259	0.7650	1.4377	0.9049
ribonic acid	0.7669	0.3515	0.5054	0.7494	2.4836	3.2649	0.9125	1.0370	0.6518	1.1677	0.6158	1.0597	0.5998	1.0341	1.0602	0.7562	1.3667	0.4241	1.7153	2.4095	2.8002	0.5403	0.7039	0.8801	0.9392	0.8482	0.8151	1.0566	0.6410
ribose	4.7088	1.7587	0.6086	1.5207	1.2827	1.1401	0.7172	0.4717	0.6061	1.6119	1.4580	0.9045	0.8679	0.8330	1.2613	1.0879	0.3798	0.6442	0.5608	1.0824	0.6570	0.9306	1.8399	0.6014	1.7254	0.8252	1.0031	0.9331	0.9197
salicylaldehyde	2.6945	0.6006	0.9130	0.8012	1.0503	0.7171	1.0635	1.4018	0.7647	0.7352	2.4710	1.0111	1.0113	0.7413	2.1693	1.3156	1.5445	1.0268	1.0699	0.7851	0.8255	0.4067	0.6684	0.6073	1.4390	0.5279	1.0695	0.8037	0.7845
serine	0.9079	1.3130	1.0007	1.3418	1.2627	1.1038	0.9647	1.2037	0.8902	0.8677	0.6535	0.9338	1.1055	0.8595	1.0454	0.8084	0.7240	0.9661	1.0477	1.0076	0.6579	1.1337	1.2260	1.3683	0.9281	0.9437	1.0536	1.0721	1.0720
shikimic acid	1.6112	2.9555	0.5931	1.4135	0.7677	1.7199	0.9085	0.6721	0.9044	0.7018	1.0313	0.9808	1.3921	0.7166	1.6870	1.0384	0.7891	1.1334	0.9555	0.6936	0.7380	0.5502	0.7787	0.8665	0.7655	0.6721	1.1544	1.1894	0.7966
sorbitol	0.4187	0.7601	0.5926	0.6441	0.6554	0.3333	0.8206	0.7536	0.6208	0.9694	0.1159	0.9522	0.5097	0.2399	0.8905	1.7276	0.9742	0.8237	10.7405	0.7383	0.5974	0.7987	0.5550	0.7681	0.8577	0.1707	0.8406	0.6878	0.6017
spermidine	1.3887	0.4781	0.8232	1.3305	2.0518	0.7775	1.0436	0.3451	0.5613	0.7234	0.5821	1.3374	1.4011	1.1766	2.1287	0.9840	0.6341	0.7567	0.7463	1.2681	1.4594	0.6444	1.7892	1.0103	0.6070	0.4657	1.0727	0.9303	0.8907
stearic acid	2.3601	0.4356	1.1627	2.1183	0.8808	0.7398	1.0778	1.2178	0.8151	0.4993	1.8048	1.3664	1.1474	0.5692	1.4918	1.3566	0.9053	0.9625	1.3462	0.8127	0.5667	0.5124	1.2249	0.4892	0.6609	0.5619	0.9403	0.7846	0.9015
stigmasterol	1.9401	0.6549	0.4655	1.6188	1.1039	1.0813	1.1029	0.7250	0.7852	0.9186	1.0586	0.9275	0.6549	1.1575	3.1717	0.9721	0.7950	0.6261	0.6488	1.0154	1.3634	0.8403	1.3950	0.5890	1.0009	0.7414	1.0607	1.1101	0.8545
succinic acid	0.7673	0.1778	0.8327	1.3922	0.8908	0.9051	0.8901	0.6950	1.1229	0.4779	0.4556	0.7817	0.7057	0.8131	0.4910	1.0982	0.9832	1.0263	1.6643	0.7138	1.1606	0.7665	0.7845	0.3763	0.8815	0.2694	0.8729	1.9290	0.9930
sucrose	0.5075	0.9025	1.9709	0.6517	0.1590	0.4206	1.4915	0.6319	0.6655	3.1103	8.3988	0.5365	0.7178	2.2286	0.4957	0.8939	0.7692	2.7904	2.1673	2.9563	0.5411	0.1580	0.3561	0.1402	0.3864	0.0632	0.9158	0.4098	0.7043
tagatose	0.9476	0.5686	0.9258	0.8747	1.1663	1.0788	1.2429	0.4592	0.7062	0.7946	0.8383	1.1104	0.6305	1.4834	2.1796	0.7897	1.0424	0.5358	0.8893	0.6633	1.2319	0.8893	1.1226	2.3108	0.5783	0.7508	1.1927	1.1408	0.9428
taurine	1.0919	0.7058	1.5068	0.8522	0.7663	0.8095	0.8784	0.7053	1.4118	0.9783	0.6937	0.6665	1.1923	0.9787	0.4235	0.9072	1.8387	1.4897	1.1795	1.0234	1.0840	1.2205	0.9227	0.6891	0.9644	1.9603	0.7641	0.9283	1.0632
threitol	0.8076	0.3383	0.7357	0.5582	1.1015	1.4017	1.1739	0.4947	1.0354	0.5116	0.8203	1.0726	0.9620	1.0275	1.3700	0.8168	0.8076	0.8563	0.7040	0.7738	1.0021	1.2178	1.5307	1.1628	1.2812	0.9725	0.9218	0.9620	1.0247
threonic acid	1.1541	0.1780	1.4746	1.0094	0.9527	0.6435	0.9410	0.5719	1.2404	1.3818	0.9427	0.8913	1.2221	0.9148	0.7835	1.2774	1.8062	1.1569	0.9009	0.9874	0.8331	0.5887	1.1083	0.4418	1.0887	1.2136	0.7675	0.8394	1.0387
threonine	0.7568	1.3706	0.8883	1.1351	1.1124	1.0681	0.9083	1.1299	1.0550	0.8426	0.9367	0.8166	1.0627	0.8698	0.9064	0.7922	0.8858	1.0817	0.9574	1.2486	0.6591	1.0103	1.1070	1.2144	1.0327	1.0193	1.0013	1.0815	1.1242
thymine	0.9337	1.8738	0.5023	0.8693	0.8403	1.0818	0.8685	0.8629	0.8725	0.9401	1.0753	1.0592	0.6439	1.1236	2.5886	0.8178	1.2073	1.1430	0.9562	1.8963	0.8049	0.5216	0.9959	0.7019	1.0625	1.2814	1.0271	1.0641	0.9072
tocopherol alpha	0.8732	1.6934	0.8931	2.5106	0.6016	0.9292	0.6655	0.4926	1.7740	1.4152	3.1989	0.8040	0.4330	0.2695	0.9057	1.4496	1.3294	1.4805	0.2776	0.9154	0.1993	1.2520	0.9489	0.0994	2.1033	0.6534	0.3561	1.0863	0.7341
trans-4-hydroxyproline	1.3096	0.6406	1.1630	1.1228	0.7765	1.2280	0.9361	0.7612	1.1039	0.8415	1.5460	0.7722	0.6914	0.8014	1.2032	1.2958	0.9574	0.7943	0.8084	1.3261	0.8084	0.9101	0.8597	0.7021	1.3750	1.6878	0.9349	0.9943	0.9634
trehalose	0.6706	2.4690	0.2245	0.5975	0.9208	1.5771	0.5245	1.5561	1.1386	1.8981	4.0850	0.5385	0.3378	0.5812	1.4251	1.8766	0.7044	0.7815	0.5397	0.3194	0.4253	0.5714	0.7217	0.8209	1.4157	0.5945	0.8208	1.1555	1.1245
triethanolamine	1.5288	0.5633	1.6583	0.7347	0.7627	0.9778	1.3421	0.9341	0.7815	0.5423	4.1177	0.9976	1.1562	0.7574	2.8233	0.8216	0.8519	0.7574	0.7714	0.5685	0.7102	0.4198	1.0554	0.8012	0.9504	1.0076	1.2109	0.8930	0.8000
tryptophan	0.0754	0.5549	0.0351	0.1860	0.9333	0.0624	1.1448	0.6269	0.9371	0.5127	0.6128	1.3319	0.6225	1.3254	1.3981	0.9564	0.7063	0.9228	0.6248	1.6128	0.9532	1.4927	0.9357	5.3658	1.1773	0.9190	1.0103	0.7826	1.0644
tyrosine	0.5940	2.6040	0.6189	1.1115	1.0674	0.8451	0.8894	1.5027	0.9973	1.2537	0.5744	0.8623	1.0967	0.7730	1.1876	0.7968	0.6604	1.0332	0.6914	1.4075	0.6282	1.0294	1.2117	1.1536	1.0512	0.9182	1.0668	1.0216	1.1257
UDP GlcNAc	1.1734	1.6310	0.9852	1.5793	0.5461	0.8708	0.4470	1.1808	1.6711	1.5166	1.2915	0.5720	0.5148	0.5443	1.3063	1.3063	1.3911	0.4207	0.8506	0.7528	0.2915	0.4760	1.0283	0.2435	1.6986	1.6236	0.4922	1.8086	0.7909
UDP-glucuronic acid	0.7795	0.8837	0.7295	1.0338	0.6503	1.6361	0.8790	1.5673	1.1239	1.7257	1.7007	1.1185	0.4898	0.5773	1.4590	1.2283	0.7316	0.5461	0.9233	1.1130	0.5711	0.8170	0.8726	0.6544	1.1046	1.0921	0.9937	1.2115	0.7749
uracil	0.7377	1.2478	0.6723	1.1829	1.0917	1.0762	0.7557	2.1313	1.2746	1.4054	0.7364	0.3976	1.0101	0.5410	0.2616	0.9580	0.3458	1.6130	0.8478	1.3769	0.4170	1.2222	0.9141	1.5269	1.1474	1.0977	0.9517	1.3715	1.0455
urea	0.3221	0.2940	0.6541	0.7926	0.9759	1.5619	1.1975	0.6753	1.0089	0.5820	0.8911	0.9010	0.7111	0.8964	0.9751	0.8644	1.0512	0.6916	1.0480	0.9358	1.7443	1.0388	0.9497	1.1746	1.3724	1.8771	0.9414	1.0461	1.0140
uric acid	0.3281	0.2875	1.0624	0.4352	0.7702	0.6090	0.7685	0.6196	1.3381	0.8537	0.4925	1.0304	1.7175	0.6015	0.4583	1.2897	1.8204	1.4299	0.6498	1.5902	2.2849	2.0541	0.8061	0.0403	0.9626	1.5931	0.8004	1.2143	0.6574
uridine	1.5701	1.5569	0.2960	0.1540	1.2892	0.7865	1.0647	0.9792	0.5747	1.1727	0.2857	1.1703	1.3047	1.0568	2.1421	0.8889	0.1572	1.0447	0.8357	1.3130	0.9460	1.1240	1.5678	1.4756	1.4138	0.6436	1.3780	0.5558	1.0214
uridine-5^-monophosphate	1.8360	0.2138	0.6120	1.7991	0.6489	2.4296	0.9208	0.1253	0.8461	0.6046	0.9880	0.7754	0.6931	0.7447	2.2563	0.9549	0.9069	0.6378	0.7300	0.7595	0.6710	0.5751	1.0249	0.5899	1.7721	1.4231	1.5254	1.0461	0.7472
valine	0.5726	1.6379	0.6513	0.8458	0.9830	0.9115	0.9794	1.3514	1.0304	0.9417	0.7372	0.8232	1.0631	1.0079	0.9423	0.7176	0.8014	1.0303	1.0047	1.3105	1.1513	1.3553	0.9984	1.9061	0.9618	1.0903	1.0479	1.0075	1.1050
xanthine	0.2381	4.6829	0.1967	1.2430	0.6361	1.6359	0.4436	0.6323	1.8723	1.0385	0.1139	0.4034	0.7543	0.4274	0.4735	0.6844	1.1839	2.4169	0.6055	3.5369	0.4451	0.7608	0.4218	1.1593	0.6331	1.9537	0.8551	1.1111	0.8578
xanthosine	1.1475	0.4207	0.4590	1.0021	0.9945	1.4152	1.0480	0.4666	1.0901	0.7038	0.9868	0.9983	0.7764	0.9945	3.1287	0.8772	0.7994	1.9162	1.1551	0.8682	0.8797	0.7344	0.9384	0.8415	0.8695	1.0786	1.0843	0.9782	0.7811
xylitol	1.9168	0.8234	0.8499	0.8313	0.7843	1.1484	0.6592	1.8837	1.3042	2.5641	0.4448	0.6672	0.9385	0.5116	0.6103	0.9672	0.8909	1.0061	1.4945	1.8208	1.1265	1.5409	0.7982	0.5057	1.4019	1.5236	0.7607	0.9063	1.0821

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1	Sex:F | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma | Tumor Present:No
F2	Sex:F | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma | Tumor Present:Yes
F3	Sex:F | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:No
F4	Sex:F | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:Yes
F5	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma, multiple primaries | Tumor Present:No
F6	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma, multiple primaries | Tumor Present:Yes
F7	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma | Tumor Present:No
F8	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma | Tumor Present:No
F9	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma | Tumor Present:Yes
F10	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma | Tumor Present:Yes
F11	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ bac | Tumor Present:No
F12	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:No
F13	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/BAC | Tumor Present:No
F14	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma w/ BAC | Tumor Present:No
F15	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ bac | Tumor Present:Yes
F16	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:Yes
F17	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/BAC | Tumor Present:Yes
F18	Sex:F | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma w/ BAC | Tumor Present:Yes
F19	Sex:M | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma | Tumor Present:No
F20	Sex:M | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma | Tumor Present:Yes
F21	Sex:M | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:No
F22	Sex:M | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:Yes
F23	Sex:M | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma | Tumor Present:No
F24	Sex:M | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma | Tumor Present:No
F25	Sex:M | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma | Tumor Present:Yes
F26	Sex:M | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma | Tumor Present:Yes
F27	Sex:M | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:No
F28	Sex:M | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:Yes
F29	Sex:- | Smoking Status:- | Diagnosis:- | Tumor Present:-