Data for (Study ST000386)

(Analysis AN000621)

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
1,5-anhydroglucitol	1.1717	1.0298	1.0639	1.0972	0.8869	1.1666	0.4967	0.6432	0.9188	1.3038	0.9817	1.1153	0.9204	0.9628	0.9849	0.9137	0.9694	1.0482	0.6919	1.1005	0.4172	1.3475	0.9829	1.1396	0.9545	1.0198
1-monopalmitin	1.3725	0.6592	0.9323	0.9018	0.6938	0.7177	1.4753	0.4705	1.0247	1.0766	0.9410	0.8347	1.0473	1.7434	0.6898	1.0298	0.8684	1.2041	0.6140	1.0367	0.6220	0.4864	1.2972	1.1384	0.8635	0.9136
1-monostearin	1.1699	1.0381	0.8415	0.7765	0.5767	1.7549	1.9897	0.5314	0.5355	0.8280	0.6931	0.8211	1.9046	1.5541	0.6612	1.0310	0.7514	0.5191	0.5376	0.6056	0.9640	0.6303	1.0113	1.2049	0.8077	0.9445
2,3,5-trihydroxypyrazine NIST	1.0005	1.1280	1.1446	1.0118	1.2587	0.9440	2.0623	1.7283	1.3313	1.1873	1.0299	0.9618	1.0360	1.0130	0.8823	0.8652	0.9861	0.7407	0.5083	0.7697	1.4378	0.7262	0.8133	0.7298	0.8735	0.8776
238267 trisaccharide	1.1273	1.1258	1.1095	1.2511	0.8159	0.3829	1.3263	0.9298	1.4243	1.0665	1.3252	1.1744	0.6768	0.9896	1.1041	0.7319	0.8820	0.3829	0.5811	0.8478	0.9845	0.6016	0.9549	0.7042	1.2531	0.7169
2,3-dihydroxybutanoic acid NIST	0.8401	0.7776	1.2773	0.9758	0.7750	1.4133	1.2537	1.2461	1.0144	1.0543	0.9599	0.9523	0.8227	0.8140	0.9859	1.0963	0.9483	0.5623	0.5091	1.2689	0.4255	0.6459	0.9739	1.2082	0.9438	1.3373
2-aminoadipic acid	0.9610	1.4718	1.0405	1.0102	1.1994	0.7151	1.7253	1.2259	0.8627	0.9875	1.1635	1.1855	0.8860	0.8726	1.1947	0.9551	0.7060	0.8967	0.7548	0.4427	0.7491	1.3734	1.2656	1.2429	0.8083	1.1805
2-deoxyerythritol	1.1773	1.1024	1.1900	0.8539	0.4718	0.8330	0.5077	0.6217	1.9113	0.6880	0.9182	0.6707	0.8540	1.1234	1.2257	1.1405	0.9155	0.4124	0.5657	0.8351	0.2300	0.3875	1.8909	0.5802	0.8384	0.7774
2-deoxytetronic acid	1.0139	1.0309	1.1723	0.8880	0.9268	0.9799	2.7375	1.1942	1.1575	1.0074	0.8870	0.8853	0.8992	1.3397	0.9600	0.9522	0.9541	0.2266	0.6920	1.0472	0.6859	0.7716	1.2687	0.9998	0.9068	0.9326
2-hydroxybutanoic acid	0.9450	0.6828	1.0227	0.9953	1.0619	0.6129	1.0103	0.6607	1.0049	0.8823	1.1095	0.9613	0.7977	1.1172	0.8941	1.0473	1.0433	1.3427	1.0935	0.7035	0.8717	1.3013	1.2070	0.9470	1.0809	1.0232
2-hydroxyglutaric acid	0.9462	0.5112	0.8551	0.9425	0.6056	0.6394	0.9254	0.6784	0.9163	0.6810	0.7789	0.7235	1.0335	1.2314	1.1047	1.3198	1.3532	2.0898	0.8058	0.5744	1.4244	1.2217	1.1411	1.0228	0.9384	1.0609
2-hydroxyhippuric acid	0.6617	0.6192	3.1405	0.5590	0.4683	0.3786	0.6283	0.2303	2.5842	0.4547	0.2569	0.2381	0.7465	0.3156	0.4937	1.5880	0.5284	0.1795	0.2342	0.2420	0.2498	0.1795	1.7822	0.2420	0.2216	0.2408
2-hydroxyvaleric acid	2.9688	6.3494	0.8137	0.6355	0.6807	0.5674	1.2106	0.7972	0.5827	0.6895	2.2159	0.5858	0.8649	0.6566	0.7003	0.6986	0.6051	0.1509	0.4688	0.7411	0.5909	0.7312	0.5101	0.7504	0.6364	0.6167
2-ketoisocaproic acid	1.1240	1.0915	1.1252	1.1074	0.9546	1.0903	1.3778	0.9389	0.9490	1.1842	1.2431	1.1784	0.9462	0.9150	0.8072	0.8190	0.7717	0.6606	1.0949	0.9630	0.9178	1.0825	0.9116	0.7764	0.9621	1.0163
2-oxogluconic acid NIST	0.8529	0.7824	1.0031	0.8083	0.9939	1.5209	1.0299	1.4610	0.8043	0.8413	1.0658	0.8223	0.5788	1.2634	0.9460	1.5442	1.1281	0.6946	0.5928	1.1017	0.5149	0.6586	0.9001	0.9041	1.1300	0.9751
3-aminoisobutyric acid	1.4037	0.6465	1.0689	1.2298	1.6356	0.9735	2.0970	0.6293	1.2284	1.1401	1.1962	1.2054	1.0595	1.1364	0.5292	0.8084	0.7328	0.0418	0.2790	0.6367	1.3005	0.7375	0.8494	0.6404	0.8692	0.6852
3-hydroxybutanoic acid	1.1490	0.3126	0.8811	0.5768	1.2849	0.1958	4.2001	0.1490	2.7081	0.8090	1.1321	0.6704	0.7200	1.0051	0.5057	0.7999	0.5946	1.4391	0.5772	0.1994	4.0735	1.0705	3.0948	0.7592	1.1167	0.6927
3-phosphoglycerate	0.9775	0.7652	1.2924	2.2541	1.3174	0.5711	0.9669	0.6106	1.4211	1.1238	1.2929	1.0498	0.8437	0.3647	0.3435	0.6152	1.0986	4.7608	2.8525	0.2601	0.4693	0.4241	0.8623	0.1979	0.5186	0.3433
400671 carbohydrate	0.9839	1.2633	0.8463	1.1623	0.6805	1.7002	1.5660	0.6347	1.0244	1.1981	1.1398	1.5115	0.6798	1.0143	1.1347	0.9937	1.0978	0.3861	0.7913	1.0887	0.0994	0.9164	0.8131	0.8012	0.9963	1.2334
4-hydroxyphenylacetic acid	0.6938	0.7666	1.8602	0.7542	0.6708	1.2189	1.2764	1.0924	0.6727	0.8452	0.8778	0.7730	0.6274	0.7992	1.2908	1.6472	0.7210	0.3680	0.3162	1.1154	0.9659	0.5520	0.7455	0.9257	0.7212	0.8970
4-hydroxyproline	0.8490	0.4295	1.0913	0.8988	1.2539	0.4655	0.6070	1.0671	1.1196	0.8929	0.8078	0.8423	1.2491	1.1161	0.7620	1.0799	0.8487	0.6505	0.9659	0.6294	1.1791	1.2679	1.1410	0.9668	1.0296	1.0700
5-aminovaleric acid lactame	0.8752	0.9035	1.2946	0.9894	0.8554	1.3616	3.8982	0.7423	1.7900	0.7614	0.8565	1.1010	0.8314	0.7953	1.1379	0.8742	0.8017	0.1994	0.2248	1.6670	2.8378	0.4751	1.6288	0.7900	0.5660	1.2962
5-hydroxynorvaline NIST	1.4468	0.5442	1.2781	1.0632	1.0557	0.8966	1.5435	1.4409	0.8937	0.8543	0.9030	0.7881	0.8052	1.1409	0.5732	1.0938	1.0336	0.1829	0.6134	1.0438	1.1286	1.0572	1.1442	0.7349	0.8202	0.9782
5-methoxytryptamine	0.9001	0.4081	0.9961	1.1701	0.5271	0.6034	0.2289	0.7248	1.3779	0.4543	1.0294	0.6416	1.0076	1.2745	1.2875	1.0252	0.9225	0.1144	0.1595	1.5363	2.3062	1.4149	1.4392	1.2745	1.0183	0.9210
6-deoxyglucitol NIST	0.8912	0.8245	0.9690	0.9098	1.0887	1.3254	3.1952	0.5653	0.6474	1.3106	1.0616	0.9255	1.2642	0.9782	0.9465	0.9353	0.9071	0.5567	0.9819	1.3602	1.1698	0.7615	0.7726	1.3676	0.8746	1.2071
715929 carbohydrate	1.1774	0.3244	1.7983	2.3086	0.5974	0.3556	0.2749	1.4296	1.4841	0.5919	1.1163	0.7619	1.0682	0.3923	0.2242	0.8549	0.9080	0.2904	0.5044	0.3797	0.4222	0.3670	0.5263	0.3762	0.5109	0.4295
acetophenone NIST	1.4987	3.3283	1.0443	1.0024	1.2462	0.9564	1.6969	0.4913	0.9393	0.7656	1.0708	1.1787	0.6080	0.8660	0.8613	1.0282	0.8056	0.5641	0.4078	0.9218	0.8968	0.6845	1.0895	0.9015	0.7773	1.0933
aconitic acid	1.1560	1.2391	1.4369	1.0534	0.9430	0.5689	1.0443	0.4910	1.1079	1.0384	1.4197	1.2564	1.5348	0.7559	0.7598	0.7199	0.5066	0.3585	0.8845	0.7637	0.8573	0.4910	0.6858	0.8592	0.4993	0.4720
adenosine-5-phosphate	1.3929	1.2322	1.1226	1.7819	0.5173	0.6573	0.4608	0.8640	1.7110	0.6438	1.4383	0.8192	0.8433	0.5125	1.1249	1.8932	0.2070	0.1220	0.1762	0.2541	0.1830	0.1321	0.2185	0.1736	0.5506	0.2057
adipic acid	0.9697	1.1659	1.3835	1.4453	0.7121	0.5222	2.7008	0.5597	1.8913	1.2199	1.2501	0.9203	1.1940	0.6468	0.7839	0.7078	0.5909	0.5796	0.4285	0.6471	1.0169	0.4922	0.7004	0.5859	0.7824	0.6118
alanine	1.0234	0.9971	0.9211	0.9349	1.0631	0.8227	1.0082	0.8904	0.9236	0.8604	1.1157	1.0524	0.8244	1.1384	1.1265	0.9946	1.0027	1.3998	1.1554	0.9716	0.9106	0.8892	0.9728	0.9740	1.1120	1.1908
allantoic acid	0.7905	1.1812	1.0548	1.1947	0.8983	1.3339	1.1588	0.9701	1.0218	1.2396	1.0746	0.9806	1.0143	1.1150	0.9600	0.9259	1.1089	0.5794	0.8691	2.6140	0.5120	0.8758	0.6692	1.0948	0.7950	0.9278
alpha ketoglutaric acid	1.3655	1.1718	1.5001	1.6836	1.8469	1.0173	1.3742	0.9579	1.0831	1.2388	1.2346	1.2594	0.8819	0.7654	0.5948	0.5751	0.8045	0.1816	0.7340	0.4257	0.4508	0.7481	0.5588	0.4539	0.6323	0.6006
aminomalonic acid	1.4071	0.9668	1.0523	1.3673	1.2594	1.2653	2.2050	0.8125	0.9597	1.2464	1.0649	1.2168	1.3241	0.8758	0.7113	0.7072	0.7525	0.8143	0.7733	0.8604	1.1970	0.7488	0.6160	0.6663	0.8339	0.5901
arabinose	1.0660	0.9340	1.3003	1.1926	0.9459	0.8841	1.1722	0.8209	1.2524	1.0301	0.8850	0.9779	0.9487	0.7928	0.7775	1.0575	0.7471	0.6946	0.7775	0.8998	1.5866	0.9946	1.2702	0.9146	0.7998	0.6856
arabitol	0.9808	0.6122	1.4485	0.8914	0.8567	0.9580	2.0151	1.5725	1.0120	0.9910	0.9244	0.7679	0.7804	0.8672	1.0505	1.2204	0.9904	0.4559	0.6475	0.8721	0.9910	0.8523	1.0021	0.7169	0.8967	0.9212
arachidic acid	1.1464	1.6224	1.3348	1.2608	0.8294	0.9200	1.1956	0.9980	1.3056	1.4757	1.4357	1.5432	1.2592	0.5624	0.7547	0.5925	0.6496	0.4712	0.4731	0.5824	0.3753	0.6476	0.7033	0.7137	0.6015	0.5085
arachidonic acid	0.5267	0.5390	0.5708	0.5506	0.4373	0.5397	0.7870	0.2219	0.4825	0.4661	0.6407	0.5650	4.6847	0.6423	0.5832	0.6398	0.7507	0.6247	0.4619	0.5172	0.8359	1.0314	0.6356	0.5023	0.5809	0.5757
asparagine	0.9115	1.2520	0.7948	0.7213	0.5442	0.9640	0.8233	0.4389	0.7024	0.7677	0.9977	1.0081	0.7990	1.3866	1.4425	1.2241	1.0961	1.2282	0.9647	1.1819	0.9863	1.1306	1.1470	1.2039	1.1190	1.2532
aspartic acid	0.5555	0.3351	0.4046	0.4293	0.4596	0.3552	0.2143	0.3579	0.3705	0.3864	0.7624	0.3654	0.4216	2.0572	1.5005	1.9236	1.5689	3.1055	1.5187	1.7989	1.9749	1.7152	1.8331	1.2685	1.3570	1.2854
azelaic acid	0.3846	0.2941	0.4529	0.4490	0.5246	0.3309	0.5048	0.3182	0.4200	0.3033	0.4858	0.4158	0.3698	1.0171	1.0935	2.1073	3.2475	5.5448	0.6703	0.5770	0.5176	0.3182	2.1799	0.9651	1.0821	1.2060
behenic acid	0.8433	0.8675	0.9887	0.7780	0.6119	1.1217	1.3113	0.4358	0.9610	0.7384	1.1970	1.1409	0.5698	1.1913	0.9573	1.2296	1.0559	0.3147	0.6052	1.3517	0.8150	0.5971	1.3933	1.0944	1.1813	1.1557
benzoic acid	1.0648	1.1456	1.1209	1.0701	0.9976	0.9607	1.4853	0.7727	0.7938	1.2243	1.0324	1.0344	1.0841	0.9863	0.9891	0.9012	0.9753	0.7154	0.6630	1.1051	0.8385	0.8866	0.8296	0.9391	0.8358	1.0979
benzylalcohol	0.7640	0.5226	0.8618	0.8902	0.9055	0.3198	0.7079	0.4785	1.0578	0.4361	0.6605	0.7588	0.4892	0.8127	1.2024	1.3477	1.9428	0.8333	0.5710	0.5066	0.8265	0.4094	2.8461	0.6998	0.9303	1.6061
beta-alanine	0.7884	0.5470	0.7626	0.8480	0.6499	0.5350	1.1024	2.6573	0.7194	2.3332	0.9567	0.7549	0.5939	1.1316	0.8340	1.0897	1.0561	1.2496	0.9390	0.7864	1.6518	0.9552	1.1784	2.4984	1.4376	0.9526
beta-sitosterol	1.2904	0.9999	0.9022	0.9845	0.7374	0.4525	1.2233	0.7960	0.9985	1.0788	0.7422	0.9338	1.8550	1.1532	0.9238	0.8216	0.9510	0.4860	0.4399	0.7625	0.9720	1.0306	0.7737	1.2548	0.7212	0.7661
butane-2,3-diol (NIST)	1.4657	3.5725	0.3760	0.2500	0.3512	0.2398	0.2665	0.3051	2.6067	0.2326	0.9827	0.1950	0.1138	2.1313	4.0683	0.8555	0.3570	0.0921	0.2375	0.3175	0.2267	0.1705	6.4341	0.3173	0.9420	0.2803
capric acid	1.0375	1.0962	1.0869	1.1585	1.0596	0.6924	1.6790	1.1554	0.6165	0.9660	0.9414	1.2742	0.7817	0.9408	1.0262	1.0798	1.0690	1.1844	0.4521	0.7293	0.8039	1.1088	0.8378	0.8727	0.8679	1.3064
caprylic acid	1.1142	1.1163	1.2571	1.0399	1.0089	0.9099	1.6729	1.1089	0.8951	1.2503	0.9974	1.0519	0.9181	1.0297	0.9999	0.8931	0.8617	0.9241	0.5292	0.6935	1.4343	0.9905	0.9528	1.1141	0.7782	0.9877
cellobiotol	1.0144	0.8838	1.5714	2.0251	0.6360	0.4319	0.6287	1.0223	1.3394	0.8706	1.2173	0.9203	0.9136	0.5016	0.5426	0.8575	1.0262	0.3991	0.4784	0.8747	0.3772	0.4100	0.6478	0.6014	0.5690	0.6209
cholesterol	1.0763	0.7609	0.8256	0.9523	0.1866	0.3132	1.6179	0.3144	1.1618	0.8133	1.1105	1.1125	2.9407	0.7980	0.7513	0.6062	0.6320	0.2727	0.3864	0.3236	0.3155	1.2086	0.6378	0.5582	0.6222	0.5518
citric acid	1.2921	1.4486	1.3675	1.2668	1.1748	0.9637	1.7770	0.7957	0.9829	1.2004	1.3007	1.3869	1.1434	0.6282	0.7674	0.6433	0.6072	0.7312	0.7042	0.5735	0.9301	0.7734	0.5321	0.5721	0.7698	0.7605
citrulline	0.7387	0.7950	0.7876	0.7390	1.3297	1.1304	1.1002	0.5705	0.5244	1.1547	0.8461	1.1192	0.6237	1.1917	0.9939	1.4408	1.1827	0.8172	0.6326	1.3559	1.5890	0.9019	0.9988	1.0854	1.0718	1.8132
conduritol beta expoxide	1.0475	0.6160	0.8689	1.2932	0.4405	0.9548	0.7506	0.7235	1.3527	0.4264	0.9544	1.2493	0.8635	1.1459	1.0114	0.8544	1.3754	0.5439	0.7210	1.0336	0.9253	0.3642	1.6828	0.5463	1.1485	0.7952
creatinine	0.5325	0.7335	1.3340	0.6078	1.1068	0.6182	1.3780	0.4242	0.4770	0.7745	0.7794	0.7538	0.5886	1.0295	1.0060	1.6602	1.0372	0.5916	0.9948	0.6304	1.7084	0.8674	0.9600	1.4946	1.0532	1.3568
cyano-L-alanine	0.8600	1.4807	1.0023	0.6704	2.7835	1.4489	2.2782	1.8493	0.9008	0.9985	1.0478	1.1820	0.6678	0.9163	0.9223	1.2519	0.8064	0.5147	0.3098	1.0676	0.7054	0.5147	0.7038	0.7006	1.0731	1.3318
cysteine	1.2396	1.6053	0.8154	0.8544	0.8445	0.6231	0.8357	0.4953	0.9918	0.5117	1.0074	0.9232	1.3147	1.1161	1.7526	0.9052	1.0386	1.0939	0.7234	1.6389	1.2230	1.0065	0.8411	0.7340	0.9581	0.9950
cysteine-glycine	0.9412	1.6828	1.0618	1.2178	0.5674	0.9918	1.4743	0.2278	1.1683	0.6902	1.1951	1.3120	0.9025	1.0856	1.1973	0.8657	0.7952	0.4646	0.8891	0.6121	1.2241	0.9159	0.8742	0.7919	0.9385	0.9797
cystine	0.5052	0.8580	0.8428	0.9168	0.3056	1.3138	1.1378	0.0340	0.5941	1.1108	0.9773	0.9724	0.5372	1.0698	1.5522	1.1442	1.2582	0.7133	1.2441	1.9418	1.6571	2.1113	1.2985	1.8539	1.1983	1.4781
cytidine-5^-diphosphate	0.7836	0.6069	1.1278	0.8150	1.1742	0.5053	1.4046	0.6688	1.2522	0.7432	0.8342	0.7233	0.6920	0.9187	0.8156	1.4782	1.1660	3.1287	1.2485	1.1296	1.0701	1.5829	1.2745	0.7450	0.9619	0.7548
deoxytetronic acid NIST	0.7711	2.7535	1.1737	0.8265	0.6082	0.4810	0.5385	0.4775	1.0289	1.0441	0.8751	1.0134	0.8967	0.7139	0.5461	0.9625	0.9636	0.6047	1.9506	0.6396	0.6439	0.5594	1.0609	0.8032	1.4548	0.9661
deoxythreittol NIST	0.8236	0.5944	2.3350	0.9164	0.7063	0.7560	0.8971	1.1675	0.7513	0.9425	0.8505	0.7874	0.8664	0.8023	0.7782	0.8756	0.8159	0.0851	0.6742	0.7153	0.8433	0.8025	0.6911	0.7606	0.7982	0.9191
dihydro-3-coumaric acid	0.6955	1.0991	1.0757	0.7452	0.4925	0.5618	0.5307	0.5958	2.0140	0.5371	0.9684	1.1332	0.7115	1.1031	1.4912	1.1283	0.7840	0.4132	0.6446	0.4727	0.5802	1.6373	1.9383	0.5441	1.0023	1.1899
dodecanol	0.8828	1.2363	1.1365	0.9757	1.1021	1.5906	1.6570	1.2350	0.8135	1.2144	1.0861	1.1242	0.8296	0.9712	1.1343	1.0001	0.9336	0.1720	0.5178	1.8954	0.7113	1.7235	0.8774	1.0952	0.8807	0.9999
erythritol	0.4091	0.2863	2.9605	0.3497	0.2844	0.2872	0.2773	0.2934	0.4978	0.4191	0.3134	0.3523	0.9372	0.3184	0.3447	2.7335	0.4028	0.2261	0.3919	0.2846	0.2603	0.1459	0.5795	0.3026	0.3285	0.3677
ethanolamine	0.9798	0.8954	1.0562	0.9925	1.0419	0.5469	0.5705	0.3085	0.5738	1.2799	0.9402	0.8965	0.3156	0.5901	0.7465	1.2743	1.6214	4.3038	1.5256	2.6092	0.4251	0.6204	0.8862	1.1322	1.1229	1.2862
fructose	0.9233	0.3785	0.5149	0.4355	0.2219	0.1385	0.2210	0.1248	0.4510	0.2343	0.5976	0.3389	5.5268	1.0485	0.3529	0.4818	0.3266	0.2036	0.8988	0.2187	0.2410	0.2457	0.3837	0.2853	0.5553	0.4162
fucose	1.1586	1.1469	1.1008	0.7771	0.5983	0.9163	0.6655	0.6655	1.5466	0.6918	1.0114	0.9910	0.8343	1.2321	1.2245	1.0575	0.8867	0.4278	0.7721	0.6098	0.6705	0.5819	1.4639	0.6647	0.9538	1.0098
fucose + rhamnose	1.1459	0.7070	1.1679	1.0043	0.8567	1.2633	1.1702	0.8277	0.9834	1.2255	0.9586	0.9574	1.0070	1.1033	0.8065	0.9645	0.9434	0.7501	0.9958	1.3254	1.0512	0.8856	0.9494	0.9563	0.9139	0.8641
fumaric acid	0.8627	1.1926	1.0832	0.8575	1.5482	1.1841	1.1181	0.8725	0.8975	1.0915	0.9886	0.9332	0.7926	1.1378	0.8532	1.1151	1.0180	1.0008	1.2885	0.8468	1.2354	1.0338	0.9727	0.8706	0.9942	1.0683
galactonic acid	1.0346	1.1124	1.1870	1.0369	0.7087	0.8719	1.3014	0.8933	1.0265	0.8321	1.1586	0.9530	1.1002	0.9293	0.9825	1.0635	0.9049	0.6185	0.8074	0.7817	1.5032	0.5326	0.6314	0.8440	0.8854	0.8087
galactose-6-phosphate	0.8475	1.1205	1.1481	0.9541	1.1489	1.5698	2.0817	0.6313	0.9470	0.9811	1.0138	1.2191	0.8058	0.9449	1.3992	1.0035	1.2814	0.5972	1.1518	1.0067	0.8873	0.8873	0.8617	0.8916	0.8532	0.7240
gamma-glutamyl-valine	0.9522	0.8680	1.0997	1.0032	2.5054	0.9824	1.3139	0.8641	0.7733	1.0564	1.1117	1.5532	0.7069	0.8345	0.8877	0.9374	1.0736	0.8641	0.8877	1.1245	0.9233	0.7339	0.8720	0.7664	1.0205	0.7795
gamma-tocopherol	0.8734	1.2895	0.9659	0.7893	0.2466	0.2280	0.5603	0.1407	1.4294	0.6882	0.9300	0.9494	1.5434	0.8738	0.9508	1.3732	0.5467	0.3541	0.4718	0.4026	0.2935	1.1667	1.8717	0.6494	0.6965	0.8850
gluconic acid	0.7831	1.1350	1.2988	1.1681	0.6248	0.9397	1.1867	0.9590	0.9881	0.9239	0.9130	1.1404	1.1854	0.7659	0.7048	1.0679	0.9682	0.5716	0.8525	0.7701	1.0123	0.5764	0.8404	0.8525	0.7957	0.8331
glucose	0.9098	0.7158	1.1913	1.2779	0.6411	1.6734	0.7180	0.9373	0.8453	0.8692	1.2538	0.8144	0.9655	0.8152	0.7110	0.9281	1.0773	0.7807	1.7662	1.3154	0.5948	0.9351	1.0146	0.7091	1.0655	0.7326
glucuronic acid	0.5230	0.5441	1.8794	0.7117	0.4629	0.3270	0.5250	0.5265	2.0738	0.6878	0.6792	0.4543	1.2995	0.5303	0.8740	1.4892	0.7840	0.3593	0.5727	0.4487	0.4883	0.5969	1.1314	0.6760	0.6059	0.5996
glutamic acid	1.0661	0.7860	1.0986	1.0397	1.0933	0.9011	0.5545	0.8126	1.0457	0.9304	0.9918	0.7929	0.9012	1.1126	0.7162	1.1701	0.9510	1.8513	0.9782	1.0214	0.9935	1.2027	1.0138	0.7614	0.9837	0.8462
glutamine	0.9127	1.5336	1.0524	1.0457	0.7605	1.5893	1.2243	0.5205	1.0272	0.9879	1.1213	1.2840	0.7271	1.0026	1.0864	0.9349	0.9533	0.4818	0.7471	0.9350	0.7124	0.9156	1.0986	1.1372	0.9251	1.2205
glutaric acid	0.9246	1.2820	1.4266	0.7833	1.1652	0.7009	1.4288	0.9705	0.9480	0.7773	0.8911	0.9715	0.8941	0.8975	1.0356	1.0860	1.0190	1.1772	0.6200	0.9076	1.7074	0.7189	0.9076	1.1682	0.6900	1.1002
glyceric acid	0.8362	0.9362	0.8271	0.9127	0.9616	0.6979	0.8607	1.1042	0.7628	0.8015	0.7499	0.7621	1.4584	1.1974	1.4073	1.0807	1.1634	1.5845	0.9481	1.2300	1.1909	0.9077	0.7472	1.0881	0.9303	1.0999
glycerol	1.2382	1.8345	1.1077	0.9514	1.1104	0.5475	1.5615	0.7435	0.8316	0.9358	1.0592	1.0098	0.9495	1.0518	1.4083	0.8902	0.9442	1.1251	0.8042	0.4758	1.1225	0.9815	0.7913	0.6918	0.9493	0.9382
glycerol-3-galactoside	1.1115	0.8756	1.1221	0.9761	0.2432	1.0108	1.3198	1.3730	0.8875	0.6599	1.1125	0.8984	3.2331	0.4265	0.3850	0.6046	0.3237	0.2584	0.3344	0.8765	0.5396	0.3344	0.4619	0.8442	0.5099	0.4589
glycerol-alpha-phosphate	0.5464	0.4851	0.4641	0.6510	0.3733	0.3091	0.6461	0.3681	0.5459	0.4159	0.6281	0.4471	5.0618	0.5854	0.5712	0.5966	0.5711	1.0251	0.5079	0.4271	0.7812	0.5607	0.5462	0.5273	0.5814	0.4957
glycine	1.0007	1.0111	0.9398	1.0752	1.0291	1.2101	1.6860	0.6695	0.8718	0.9882	0.8739	0.9262	0.7960	1.2102	1.2203	1.0564	1.0846	1.0459	1.4048	1.3866	1.6829	0.8716	1.0762	0.9743	0.9547	1.0320
glycolic acid	1.1348	1.6300	1.1183	1.1664	0.6432	1.0607	1.7784	0.3958	0.9675	1.1117	1.0025	1.3007	1.3396	0.8133	0.7423	0.7757	0.7937	0.6790	0.6931	0.8021	1.3457	0.9639	0.7578	0.7924	0.7762	0.9552
glyoxalurea NIST	0.7876	0.5645	0.8777	0.6613	1.1627	0.5066	0.9299	1.1977	1.0156	0.8757	0.7771	0.9086	0.6095	1.7011	1.1344	1.4148	1.2002	0.1230	0.5355	1.6934	1.7803	1.1072	1.3014	0.9336	1.1850	0.9842
guanosine	0.9235	1.0103	1.0416	0.8606	0.8645	1.5467	2.3123	0.8437	0.7395	1.0780	1.0950	0.9773	0.6571	1.0273	0.9569	1.1718	1.2061	0.8124	0.5000	0.8437	1.1561	0.8281	1.0806	1.4999	0.9519	1.0691
heptadecanoic acid NIST	0.8521	0.7820	1.2996	0.9067	0.8337	0.8128	0.9845	0.7332	1.1305	1.3396	1.2294	1.0599	1.2862	0.5501	0.5975	0.8212	1.1628	0.6745	0.6619	0.8945	0.4608	1.1647	0.9095	0.9966	0.9022	0.7053
hippuric acid	1.2749	0.5423	1.0257	0.8154	1.0541	0.4753	0.6663	2.1321	1.0742	1.9751	0.7809	0.6768	1.0440	1.1010	1.2189	1.0232	0.6081	2.6213	0.8485	1.4142	1.2070	2.8274	1.0023	0.9596	0.9530	0.9035
histidine	0.6758	1.1083	0.8685	0.8809	0.3681	1.7643	1.0458	0.4986	0.8583	0.8330	1.1654	1.0633	0.4781	1.1209	1.3833	1.1511	1.2000	0.6563	0.9671	1.3628	1.3091	1.3526	1.2300	1.5109	1.2290	1.2588
hydroxylamine	0.9317	0.7234	0.8323	0.9134	0.8708	0.9051	1.2401	0.9649	0.6633	0.9397	0.8443	0.8218	0.5611	1.4768	1.3510	1.2374	1.3710	1.2513	0.4724	1.3187	0.7160	1.1039	1.3598	1.1576	1.0797	1.3948
hypoxanthine	0.4554	0.5137	0.6042	0.5391	0.5030	0.7586	1.0270	0.2612	0.6793	0.6146	0.4955	0.4518	0.5240	1.4041	1.2366	1.8041	1.4112	3.1681	1.2542	1.8548	3.0011	1.5483	1.5071	2.1518	1.4163	1.1333
indole-3-acetate	1.0345	0.7450	1.1327	0.9213	0.8084	0.9118	0.7883	1.0057	0.7802	0.9272	0.9268	1.2912	0.9205	1.2198	0.8012	1.2061	0.9499	0.4571	0.7839	0.8377	0.6499	0.7030	0.7613	0.9609	0.8777	1.1533
indole-3-lactate	0.8545	1.1105	1.1566	0.8840	0.8323	1.4861	0.8254	1.1024	1.0163	1.0505	1.0536	1.1931	0.8269	0.9740	1.0734	1.1545	0.7870	0.7655	0.4960	1.5497	0.6963	0.7898	1.1040	0.9541	0.8834	1.1150
inosine	0.4943	0.5218	0.8308	0.4624	0.4296	0.4806	0.6262	0.2184	0.4697	0.6990	0.6766	0.5267	0.4875	1.2442	0.6371	2.2271	1.0369	0.5825	0.3313	0.6699	2.2646	0.4733	0.9927	6.5006	0.6241	0.8769
inosine 5^-monophosphate	1.1230	1.0010	1.2611	1.6778	1.1862	1.3096	1.1773	1.0715	1.1443	1.1244	1.2556	0.9848	0.9062	0.8747	0.8499	0.7502	0.7024	0.6614	0.7937	0.4365	1.1906	0.7540	0.7584	0.7276	0.6576	1.0110
inositol myo-	0.8597	0.6703	1.3613	1.1133	0.6836	0.8369	0.9189	0.9787	0.9426	1.0669	0.9414	0.8724	0.9587	0.8885	0.8239	1.0975	1.0177	0.8317	0.8785	0.9360	1.0237	0.7954	0.8653	0.9961	0.8818	0.9567
inulobiose	0.9139	3.6047	1.5367	0.8110	0.2803	0.6088	0.7312	0.3985	0.8196	0.5484	0.7500	1.1535	0.8105	0.6790	3.0715	1.1965	0.6546	0.2699	1.0278	0.8850	0.5837	0.3013	0.6135	0.5625	0.7319	0.8047
isocitric acid	1.3864	1.2201	1.5300	1.2905	1.2280	0.9605	1.5183	0.9210	1.2280	1.2532	1.3964	1.4435	1.1898	0.5947	0.6644	0.6026	0.4829	0.0868	0.3434	0.4605	0.6815	0.4789	0.5359	0.5039	0.6227	0.6251
isoleucine	0.9736	0.9253	1.0398	0.9064	0.8511	1.0149	1.1571	1.5457	0.8575	1.5298	1.2256	1.0839	0.9828	0.8908	0.8817	0.9553	0.7824	0.7483	0.8344	1.0424	0.8729	0.9685	0.8619	1.2447	1.0635	1.0261
isolinoleic acid NIST	1.1855	0.8292	1.2252	1.0618	0.8903	1.1628	3.3122	0.8104	0.7999	0.7928	1.0770	1.0923	1.2685	0.8510	0.8333	0.8426	0.9105	0.7400	0.4827	0.9655	0.8739	0.8527	0.8574	0.7329	0.8572	0.7772
isothreonic acid	0.9048	0.8841	1.4823	0.8933	0.7922	0.6872	0.9208	0.8379	0.9933	0.8518	0.7920	0.8937	1.1795	0.8040	0.8958	1.2635	0.8150	0.7025	0.9411	0.7160	0.8446	0.6838	0.8452	0.7477	0.7934	0.8130
kynurenine	1.6728	0.6319	0.5097	1.0488	0.3789	0.7691	0.5836	0.1214	0.4031	0.4267	0.6140	0.5750	1.8424	0.6005	0.7346	1.2886	1.1351	8.9158	6.1699	0.9547	0.3981	0.6308	0.7506	0.6578	0.4860	0.5691
lactamide	0.9873	0.7052	1.0577	1.1687	1.8283	1.1626	2.8175	0.7786	0.9054	0.9461	1.0020	1.0815	0.7989	1.0147	0.9357	0.9533	1.0013	1.0334	0.7489	1.7491	1.3721	0.3945	0.8949	0.7017	0.9259	1.1551
lactic acid	0.8132	0.8075	0.8939	1.2665	1.7176	0.5768	1.2964	0.6459	1.1853	0.5539	1.0120	0.8495	0.8639	1.1541	0.8104	1.1047	0.9295	2.1901	1.2258	0.8017	1.3954	0.9427	0.9354	0.6727	1.1089	1.0265
lathosterol NIST	0.9448	0.9480	0.9167	1.0838	1.0004	1.1719	2.3867	0.6288	0.8337	0.8896	1.1159	1.0099	1.2918	0.9611	0.7039	0.9419	1.0347	0.4716	0.8503	0.6431	0.9146	0.8861	1.1505	0.7646	0.9218	0.9718
lauric acid	1.0511	1.1492	1.1344	1.3309	0.9109	0.4385	0.9153	1.2081	0.4012	0.8884	0.9189	1.4451	0.8778	0.9662	0.9031	1.0703	0.9143	1.2912	0.4035	0.4561	0.5605	1.4019	0.5614	0.3753	0.9223	1.5643
leucine	0.9414	0.8358	0.9361	0.8312	0.9620	0.9243	0.2730	1.6495	0.8705	1.1267	1.0960	1.0840	0.9020	1.0198	0.9654	1.0930	0.9871	1.0519	0.9817	1.1771	1.1976	1.1631	0.8634	1.2748	1.0729	1.1548
levanbiose	0.6795	0.9469	1.3494	0.7858	0.4864	0.7373	0.7373	0.6209	0.5666	0.8149	0.8007	0.6666	0.5411	1.0652	1.3640	1.2950	1.4646	1.7075	0.8925	2.7785	1.0400	2.2741	1.1901	0.9799	1.0295	0.9768
levoglucosan	1.1686	0.4573	1.5510	0.7087	1.1569	0.7628	2.5350	1.7616	1.0617	0.7728	1.0420	0.7663	0.8355	1.1434	0.4973	1.1990	0.6515	1.2369	0.4562	0.7797	1.9155	0.4404	0.9482	0.4941	0.8442	1.0003
lignoceric acid	1.1992	1.0862	1.0212	1.2006	0.6779	0.3743	1.0963	0.6464	1.3584	0.9800	1.0273	0.9472	0.7447	1.0429	1.2437	1.1116	0.7916	0.5935	0.4347	0.6238	0.8695	0.6427	1.8631	0.8562	0.6967	1.0120
linoleic acid	0.7206	0.8589	1.0400	1.1096	1.4668	0.6975	2.1738	0.7163	0.8992	1.0717	1.0585	0.9520	1.5577	0.5270	0.7879	0.8003	0.9630	1.6656	0.9387	0.7645	1.3182	2.2212	0.8150	0.8085	0.8440	1.0305
linolenic acid	0.7742	0.8189	0.8478	1.2106	1.1099	0.9761	3.0440	0.8605	0.9828	1.1096	1.0208	1.1336	1.5890	0.5921	0.7644	0.8642	1.0675	0.0411	0.3134	1.1797	1.6406	2.9527	0.9023	0.8676	0.8011	0.7840
lysine	0.8141	1.0256	0.9579	0.9958	0.7960	1.7962	0.9478	1.0468	0.7076	1.1814	1.1471	1.1179	0.7812	0.9061	1.1794	1.0553	1.0622	0.3348	0.8264	1.3996	0.8228	0.9236	0.9445	1.2875	1.0885	1.2221
lyxose	0.9682	0.5108	0.8505	0.6617	1.4907	0.6687	0.5015	0.8986	0.8510	1.1598	1.3873	1.0309	0.6915	1.0997	0.6739	1.6084	0.6798	0.4319	0.4702	1.0031	0.5642	0.5224	0.8498	0.7575	1.2085	1.2449
maleimide	0.5301	0.5943	0.6334	0.6608	0.6118	0.4548	0.7062	0.3589	0.6086	0.5184	0.6692	0.7224	0.4556	1.4926	1.9160	1.6228	1.2833	0.9431	0.8719	0.7397	1.1611	0.9809	2.0187	1.6014	1.3631	1.5306
malic acid	1.1697	0.9932	1.2637	1.2595	0.9588	0.4936	1.1937	0.6327	1.0441	0.7786	1.1368	1.0346	0.9733	1.0029	0.7763	0.9582	0.8037	1.5347	1.2677	0.3500	0.9334	0.9379	0.7389	0.6383	0.8597	0.7417
malonic acid	1.1272	6.4246	0.6441	0.5022	1.5586	0.2813	0.2841	1.1002	0.3209	0.3381	1.5593	0.5613	0.5358	1.2460	4.8615	1.1817	0.6116	0.5094	0.2867	0.2700	0.4557	0.5971	0.4224	0.3788	1.1372	0.7546
maltose	1.2748	0.3855	1.7086	1.9673	0.6253	0.2105	0.2851	1.3555	1.4351	0.6664	1.3376	0.7775	1.1176	0.4577	0.3904	0.7427	1.0912	0.3983	0.5205	0.2716	0.3983	0.3191	0.5299	0.3751	0.5163	0.5208
maltotriose	1.5120	1.5830	1.5118	2.1863	0.7973	0.3219	0.7775	1.4559	1.5533	0.9582	1.6143	0.7323	0.9786	0.4847	0.4172	0.5152	0.8290	0.2426	0.2426	0.4457	0.4407	0.4259	0.4680	0.4667	0.5514	0.4131
mannitol	0.7602	1.4450	1.1716	0.9367	0.8267	0.5217	0.3109	0.3410	1.5509	1.1308	0.7771	1.1088	1.0021	0.7140	1.2182	1.0019	1.1439	2.4816	0.6634	0.4585	0.2821	0.2273	1.3753	1.0394	0.6907	1.1766
methanolphosphate	1.1486	1.1573	0.9389	0.9303	2.0443	0.7454	1.0690	0.4708	1.1398	0.7740	1.0516	0.9332	1.5687	1.1761	0.7454	0.8329	1.0033	0.4054	0.3416	0.3498	1.0331	0.6440	0.9491	0.5435	0.7106	0.9798
methionine	1.0137	1.2273	0.9376	0.8375	0.8733	1.2825	0.8455	1.4964	0.8715	1.3001	1.1193	1.1235	0.9510	0.9854	1.1003	0.9192	0.8335	0.9136	0.8475	1.5018	0.8544	1.1620	0.9247	1.3060	1.1233	1.0816
methionine sulfoxide	1.0665	0.5790	1.0280	0.9429	0.9486	0.7971	0.7456	0.9465	0.9986	1.7152	0.8483	0.7735	1.1255	1.0764	1.0096	0.9716	0.7952	2.2999	1.3128	1.2478	1.0727	2.3617	1.0018	1.1860	0.9532	0.7805
methylhexadecanoic acid	0.9302	0.9262	0.9744	0.9273	0.9037	1.1517	1.2692	0.8803	1.0004	0.9624	0.9614	0.9952	1.2136	0.8573	0.9770	1.0507	1.0790	1.0153	0.9628	0.9757	0.8732	1.2971	0.9477	0.9543	0.9430	0.9488
myristic acid	0.8988	0.8656	1.1027	1.0992	1.2191	0.8177	1.5177	1.1167	0.7915	1.1112	1.0604	1.1932	0.9333	0.9166	0.7437	0.9918	1.0920	1.1323	0.7051	0.8389	0.8840	1.1544	0.7720	0.7871	0.9386	1.1434
N-acetylglutamate	1.1019	0.6867	1.0750	0.8725	1.1820	0.5738	0.9211	1.0947	1.3699	1.0844	1.0128	0.9437	0.9208	1.0605	1.2117	1.0371	0.7754	0.0824	0.4400	0.8564	0.9123	1.0212	1.4116	1.0050	0.9577	0.9358
N-acetylglycine NIST	1.2872	1.8987	1.1561	0.8786	0.9208	1.1359	3.0217	1.5274	1.0936	1.1414	0.9732	0.7462	0.8026	1.1924	1.7893	0.8599	0.6738	0.2867	0.4384	1.1193	1.1524	0.4025	0.9025	0.9112	1.1020	0.8090
N-acetylmannosamine	0.9438	0.9901	1.0319	1.1791	0.8139	1.3078	0.7443	1.0504	0.8858	1.6661	1.1316	0.9577	0.8839	0.8983	0.9096	0.8643	1.0650	0.1739	1.1896	1.2661	0.7443	0.9809	1.1142	1.3443	0.9491	0.9381
naproxen	0.0748	0.0209	1.9424	0.4745	0.0163	0.0275	0.0311	0.0124	1.7169	1.7257	1.9125	0.0213	0.7801	0.0176	0.0222	1.0941	1.9118	0.3514	0.1802	0.0331	0.0288	0.0238	1.4048	1.6124	1.4386	0.0191
nicotinic acid	2.0332	1.5443	1.5779	1.4337	2.4144	0.8182	1.2784	3.3059	1.8694	2.2736	1.4622	1.5900	1.0470	0.2649	0.2876	0.2462	0.2378	0.1508	0.0946	0.4832	0.4142	0.1636	0.2706	0.2595	0.4538	0.2622
N-methylalanine	0.9529	0.7857	1.0508	1.1058	1.0492	0.8933	1.1287	0.8913	0.8998	1.3133	1.1151	1.2105	0.8582	0.7909	1.0098	1.0002	0.8958	0.7592	0.8838	0.9188	1.2253	0.9130	0.8705	1.2096	0.9661	1.1133
octadecanol	0.9591	0.8061	1.1189	1.0279	1.2124	1.3639	1.7527	0.9949	0.8752	1.3952	0.9120	0.9964	0.9474	0.9035	0.9884	1.0317	1.0312	0.8105	0.6951	1.3705	1.1794	1.3573	1.1750	0.9604	0.8175	0.8528
oleic acid	1.0698	0.6244	1.0450	1.1470	1.1152	0.7881	2.7104	0.4873	1.0920	0.8901	1.2137	0.9361	1.3550	0.6964	0.6602	0.7727	0.9698	1.3146	0.8696	0.7209	1.3601	1.4924	0.9874	0.6481	0.8974	0.8745
ornithine	0.7310	0.9111	0.8572	0.9698	0.9726	1.9772	1.5039	1.0559	0.7337	1.0095	0.9661	0.9520	0.7115	1.0705	1.2032	1.1807	1.0865	1.2017	0.8962	2.0602	1.6180	1.2671	1.0082	1.1945	1.1014	1.2808
oxalic acid	2.0805	1.7061	1.7654	1.6001	2.2590	0.7581	1.7676	3.2459	2.2587	2.1597	1.2812	1.6707	1.3090	0.0774	0.0916	0.0837	0.1056	0.0872	0.0835	0.1147	0.0837	0.0938	0.0848	0.0685	0.3862	0.0908
oxoproline	0.9610	0.8750	0.9161	0.8687	1.0625	0.7507	0.8255	0.9428	1.0285	0.8947	0.9438	0.8445	1.1452	1.0950	1.2195	1.0790	0.9065	1.2300	0.8998	1.0943	1.0453	1.1548	1.1500	0.9843	1.0101	1.0575
palmitic acid	1.1441	0.9712	1.0565	1.1009	1.0787	0.9290	1.7233	0.7964	1.1804	1.1397	1.2025	1.0636	1.2972	0.7833	0.8712	0.8444	0.8765	0.8151	0.6003	0.6626	0.6776	1.0013	0.9110	0.7506	0.7636	0.8499
palmitoleic acid	1.4663	0.6420	1.1313	0.9022	0.8072	0.5532	3.2979	0.3565	0.9014	0.6420	1.2457	0.8939	1.0277	1.4438	0.8180	0.8554	0.9163	0.5389	0.5418	0.5792	2.0363	0.6141	0.8613	0.5511	1.0332	0.7941
parabanic acid NIST	1.7393	1.3116	1.5090	1.3082	1.9510	0.8609	1.7238	2.5868	1.6558	1.8189	0.9191	1.4034	0.8885	0.6083	0.6563	0.5687	0.4042	0.2008	0.2809	0.3909	0.5127	0.6237	0.5055	0.5367	0.7380	0.5511
paracetamol	1.5749	5.9561	0.7990	0.4912	0.1118	0.1123	0.0707	0.1940	3.2051	0.3448	0.1188	0.1614	0.6476	2.5403	6.3440	0.8704	0.5009	0.0263	0.0721	0.1150	0.0887	0.0901	2.4724	0.5187	0.1033	0.2315
p-cresol	0.6561	0.5430	0.8087	0.7772	0.7841	0.3065	0.6784	0.7993	1.1256	0.5680	0.6931	0.7583	0.4485	1.2077	1.2676	1.2860	1.9622	0.5460	0.4111	0.4855	0.7920	0.5239	2.9739	0.7198	0.9425	1.6189
pelargonic acid	1.0944	1.2579	1.0232	1.0723	0.9924	0.6798	1.2984	1.0154	0.5136	1.2332	0.9860	0.8789	0.9070	1.1463	1.0696	1.0609	1.0955	1.0087	0.6403	0.6942	0.9023	1.0838	0.7590	1.1337	0.9460	1.1407
phenylalanine	0.9215	0.8398	0.9365	0.9008	0.8158	0.9413	0.7595	1.1728	0.8252	1.1685	1.0087	1.0223	0.8995	1.2080	0.9744	1.1026	1.0821	1.0715	0.7928	1.0682	0.8571	1.0806	1.0292	1.0997	1.0646	1.0845
phenylethylamine	1.0514	0.9908	0.9622	1.3193	0.3783	1.6483	0.8836	0.5863	0.9935	0.7525	0.7924	0.8049	0.6108	1.1440	0.8795	1.1759	1.2138	0.9754	0.7795	1.8968	0.8403	1.7698	1.2110	1.3639	0.8575	1.3267
phosphoethanolamine	1.3225	1.3235	1.2788	1.4041	1.2699	1.3517	1.9272	1.1242	1.1264	1.1253	1.0963	1.0880	0.6320	0.7405	0.6825	0.9149	0.7972	0.4461	0.5086	1.0171	0.5487	0.9145	0.7680	1.0907	0.7966	0.9598
pipecolic acid	0.5816	0.4573	0.6177	0.5857	0.3062	2.5707	0.5880	0.2992	0.4655	0.2012	0.5323	0.5409	0.3876	1.8051	1.1633	1.7279	1.8945	0.4445	0.7919	9.5077	0.6755	1.2005	1.0815	0.9809	1.3476	1.4527
proline	0.7996	0.7904	0.8587	0.8178	0.4792	1.5625	1.2228	0.6236	0.6352	0.6995	1.0053	1.0371	0.7748	1.2730	1.2024	1.1944	1.1670	1.2466	1.3080	2.0233	1.5494	0.8310	0.9616	1.1647	1.0775	1.4658
pseudo uridine	0.9771	0.9202	1.4520	0.9925	0.7775	0.9089	1.3161	1.0479	1.2506	0.9687	0.9952	1.0109	1.0642	0.8624	0.9689	1.0028	0.7535	0.5041	0.7344	0.7150	0.9323	0.7489	1.0390	0.6657	0.7410	0.8368
pyrophosphate	1.4899	1.7482	1.3887	2.0795	1.5869	0.5258	1.0714	1.4294	1.4265	1.0833	1.3731	1.0522	0.7597	0.5798	0.8311	0.5357	0.5066	0.4902	0.4395	0.7982	0.7301	0.6248	0.5666	0.6573	0.5601	0.7513
pyruvic acid	1.2626	1.2150	1.4058	1.6275	1.7881	1.1792	1.5571	0.9734	1.2272	1.4051	1.4416	1.4250	0.9306	0.6948	0.3268	0.5684	0.5195	0.1066	0.6587	0.5187	0.5167	0.6697	0.4667	0.4752	0.7876	0.4929
quinic acid	1.1689	0.4253	1.4522	1.2999	0.7833	0.1587	1.1523	1.1006	0.5191	0.7302	0.7853	0.7270	1.0343	0.9607	0.8304	1.2700	1.2614	0.4359	0.8242	0.1152	0.6330	1.4763	0.7245	0.6359	0.7513	0.6740
ribitol	0.8521	0.8982	1.7645	0.9758	0.4755	1.0737	0.9025	0.9129	0.5092	0.7074	0.8371	1.2702	0.7014	0.7826	1.4122	1.2974	0.8846	0.6406	0.3890	0.8896	0.9648	0.6821	0.7664	0.7236	0.7549	0.9363
saccharic acid	0.8970	0.8621	1.7280	0.9245	0.9695	0.8882	1.4543	1.1408	1.5443	0.7141	0.7743	0.9211	1.0784	0.7065	1.0994	1.0467	0.6435	0.6009	0.5835	0.3135	1.4107	0.6444	1.1089	0.7032	0.6550	0.7452
salicylaldehyde	0.5452	0.5781	0.7165	0.4949	0.8032	1.1896	0.9412	0.4619	0.4343	0.8954	0.7517	0.7199	4.2066	0.5387	0.5490	0.9182	0.4466	0.5490	0.4096	0.9543	0.9499	0.8323	0.4198	0.5882	0.5111	0.5117
salicylic acid	2.0924	1.0339	1.5206	0.9732	1.8758	0.0371	0.0484	0.0221	2.7225	1.5499	0.0432	0.2161	0.8561	0.7710	0.8761	1.4312	0.9760	0.0242	0.0240	0.0382	0.0361	0.0273	2.1928	1.1628	0.0346	0.0512
serine	0.8775	0.7746	0.9426	0.9315	1.0650	1.1282	1.6146	0.6141	0.6838	1.0609	0.9656	0.8903	0.8298	1.1395	1.0946	1.1494	1.0161	1.3144	1.0879	1.4301	1.8736	1.5782	0.9772	1.0090	1.1266	1.0765
shikimic acid	0.7499	1.3952	0.3182	0.2834	0.1716	0.2505	0.1311	0.1554	0.2975	0.1871	0.8364	1.3329	0.3875	2.1196	2.1792	1.5431	1.6100	0.1977	0.6183	1.2610	1.4988	1.4871	1.8250	1.2689	1.5233	1.3111
sorbitol	1.1035	0.6714	1.0530	0.9900	0.6489	0.8795	0.5336	0.4872	1.3133	1.5449	1.2858	0.7766	0.7764	1.2225	1.2154	1.0377	1.0581	0.4471	1.1832	0.8816	0.9639	0.8521	1.0661	0.5394	1.0149	0.6388
stearic acid	1.0681	1.1701	1.0589	0.9808	0.8167	1.2230	1.3542	1.0395	1.1599	1.0964	1.0268	1.0482	1.2155	0.8381	1.0756	0.9342	0.9380	0.8470	0.6800	0.9232	0.6943	1.0938	1.0004	0.9603	0.7918	0.8529
stigmasterol	1.2060	1.1677	1.0377	1.2930	0.8321	1.8481	1.8481	0.9792	1.0459	1.1792	0.8896	1.0559	0.8727	1.0051	0.9241	0.9517	1.1323	0.7448	0.7379	1.4068	0.6620	0.7586	0.7586	0.7241	0.8019	1.0738
succinic acid	0.7049	0.9834	0.9004	1.2165	0.9579	0.5166	0.8476	0.5457	0.8397	0.8830	0.9140	0.8730	1.1802	1.1109	1.1122	1.1055	1.0589	1.2732	1.0186	1.0222	1.3059	0.8003	0.8615	0.9413	0.9027	1.2321
sucrose	0.7929	0.4702	2.2243	0.6442	0.4451	0.1507	0.6278	0.2637	1.6065	0.4102	0.6812	0.6078	0.6927	0.5221	0.8999	1.5155	0.3759	0.1256	0.8685	0.3097	0.3725	0.1967	1.1573	0.6540	1.2350	0.6129
tagatose	0.9297	0.9179	1.1440	0.9054	0.8925	0.8960	0.5287	0.9703	0.9077	1.4093	0.8383	0.9000	1.5988	0.7678	0.8387	0.9233	0.7631	1.4905	0.7591	1.3058	0.6115	1.7411	0.9424	1.0489	0.8619	0.8278
taurine	0.5201	0.6364	0.7397	0.8476	0.4904	0.4969	0.4260	0.7380	0.8602	0.2997	0.7252	0.5630	0.5255	1.2588	1.4498	1.5312	1.5542	2.1700	1.5582	1.8816	2.4832	1.4871	1.4021	1.1055	1.2118	1.4970
threitol	1.0873	0.7705	1.3646	0.9591	0.6890	0.7996	0.8630	1.0018	0.9420	0.9218	0.9867	1.0783	0.8047	1.0871	0.9015	1.1429	0.8576	0.5250	0.6669	0.8087	0.5673	0.4526	0.8675	0.8954	0.9822	0.9333
threonic acid	0.7948	0.9373	0.6698	0.9877	0.9229	0.8667	1.0074	0.3322	0.5871	0.8085	0.7553	0.7293	0.7935	1.2656	1.8297	1.2155	1.6518	1.2639	1.0088	1.7808	1.5825	1.0961	0.8868	1.4618	1.0973	1.2449
threonine	1.0463	1.1324	0.9507	0.9685	0.8476	1.5081	0.8912	1.0123	0.7877	1.2485	1.0591	1.1192	0.9425	1.0156	1.1525	0.9651	0.9018	0.8066	0.7802	1.5437	0.9035	1.2121	0.8332	1.1408	1.0708	1.0827
tocopherol alpha	0.9620	0.7609	0.8936	1.0531	0.1962	0.3510	0.6224	0.3246	1.2148	0.8894	0.9662	1.0873	2.4969	0.9968	0.6131	0.6948	0.9128	0.4162	0.4778	0.3659	0.2777	0.7409	0.7179	0.7125	0.6877	0.7017
trans-4-hydroxyproline	0.7627	1.0262	1.2193	0.7799	0.9260	3.7640	0.8445	0.5388	1.0810	1.2562	0.9483	1.2138	0.6069	0.8900	1.0302	1.0090	0.7924	0.0662	1.0916	2.7730	0.8496	0.8929	1.3468	0.8579	1.0071	1.3855
trihydroxypyrazine NIST	1.3470	1.1604	1.4724	1.0913	1.2193	1.1162	1.6356	0.8951	1.4201	1.1244	0.9826	1.3384	1.1604	0.7128	0.8205	0.7336	0.7437	0.3315	0.3150	0.9172	0.7625	0.3205	0.6115	0.6465	0.7128	0.6157
tryptophan	0.7971	1.1163	0.7732	0.8769	0.4918	1.6877	0.8137	0.4785	0.4917	1.1512	1.0838	1.1874	0.8129	1.2052	1.3913	1.0787	1.0505	0.8240	0.9632	1.7373	0.8789	1.6816	1.0955	1.3971	1.1388	1.2662
tyrosine	0.9581	1.1448	1.0020	0.9560	0.7440	1.3690	0.6706	1.5811	0.7673	1.1872	1.2143	1.1525	0.9109	0.9539	0.9578	0.9893	0.9445	0.5528	0.7683	1.1987	0.5824	1.1896	0.8615	1.0909	1.0861	1.0575
urea	1.1239	1.3852	0.9567	1.0677	1.5400	1.0558	0.0984	0.9647	1.1559	0.9887	0.8117	1.1838	1.0364	0.9644	0.8571	0.9503	1.1244	0.7223	0.7272	0.1625	1.0173	0.7220	0.9988	1.3131	0.8909	0.8579
uric acid	1.1463	1.5470	1.1018	0.8245	0.7222	1.5026	0.9240	0.9497	1.2636	0.7855	0.9676	1.1982	1.1917	0.8777	1.4462	0.8449	0.7160	0.9757	0.7754	1.3669	0.6339	1.5522	1.3098	0.4903	0.7406	1.1312
uridine	1.0852	0.5621	1.3751	1.4045	0.9449	1.4337	0.4399	0.9612	1.1404	1.1445	1.0678	1.3395	0.8535	0.5529	0.9042	0.9042	0.8871	0.5132	0.5539	0.9205	1.2056	0.8960	0.9979	0.7291	0.8134	0.6656
valine	1.0201	1.0240	1.0541	0.9401	1.0016	0.9619	1.1657	1.3414	0.7422	1.2374	1.1412	1.0579	0.8818	0.9810	1.0603	1.0200	0.9212	0.9096	0.7575	1.0600	1.0276	0.9670	0.7802	1.1561	1.0210	1.0807
xanthine	0.6994	0.8070	0.8812	0.6020	0.7263	0.5520	1.3363	0.7456	0.7263	0.5762	0.8723	0.7198	0.7204	1.3908	1.2347	1.3451	1.3334	1.3460	1.1378	1.1136	2.3628	1.4235	1.4332	0.9877	1.1275	1.3806
xylitol	2.3915	0.4541	0.8214	0.7074	0.6281	0.5121	0.6559	0.4238	2.4474	0.6067	0.6775	0.6800	0.7533	2.6440	0.7278	0.7746	0.6584	0.4389	0.4730	0.5525	0.4541	0.4263	2.8035	0.4743	0.5052	1.0653
xylose	1.1025	0.8085	1.5767	0.6199	0.7340	1.0874	1.0061	0.6572	1.0151	1.2077	1.4185	0.7121	0.6261	1.2284	0.8384	1.0351	0.6558	0.0373	0.3337	1.1856	0.8266	0.4641	0.7046	0.8384	1.3190	0.8319

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

Factors:

F1	Organ:Plasma | Cancer status:Adenocarcinoma | Smoker:Current | Gender:F
F2	Organ:Plasma | Cancer status:Adenocarcinoma | Smoker:Current | Gender:M
F3	Organ:Plasma | Cancer status:Adenocarcinoma | Smoker:Former | Gender:F
F4	Organ:Plasma | Cancer status:Adenocarcinoma | Smoker:Former | Gender:M
F5	Organ:Plasma | Cancer status:Adenocarcnoma | Smoker:Former | Gender:F
F6	Organ:Plasma | Cancer status:Adenosquamous | Smoker:Current | Gender:F
F7	Organ:Plasma | Cancer status:Adenosquamous | Smoker:Current | Gender:M
F8	Organ:Plasma | Cancer status:Adenosquamous | Smoker:Former | Gender:M
F9	Organ:Plasma | Cancer status:Healthy | Smoker:Current | Gender:F
F10	Organ:Plasma | Cancer status:Healthy | Smoker:Current | Gender:M
F11	Organ:Plasma | Cancer status:Healthy | Smoker:Former | Gender:F
F12	Organ:Plasma | Cancer status:Healthy | Smoker:Former | Gender:M
F13	Organ:Plasma | Cancer status:NA | Smoker:NA | Gender:NA
F14	Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Current | Gender:F
F15	Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Current | Gender:M
F16	Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Former | Gender:F
F17	Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Former | Gender:M
F18	Organ:Serum | Cancer status:Adenocarcnoma | Smoker:Former | Gender:F
F19	Organ:Serum | Cancer status:Adenocarcnoma | Smoker:Former | Gender:M
F20	Organ:Serum | Cancer status:Adenosquamous | Smoker:Current | Gender:F
F21	Organ:Serum | Cancer status:Adenosquamous | Smoker:Current | Gender:M
F22	Organ:Serum | Cancer status:Adenosquamous | Smoker:Former | Gender:M
F23	Organ:Serum | Cancer status:Healthy | Smoker:Current | Gender:F
F24	Organ:Serum | Cancer status:Healthy | Smoker:Current | Gender:M
F25	Organ:Serum | Cancer status:Healthy | Smoker:Former | Gender:F
F26	Organ:Serum | Cancer status:Healthy | Smoker:Former | Gender:M