Data for Investigation of metabolomic blood biomarkers for detection of adenocarcinoma lung cancer (part II) (Study ST000369)

(Analysis AN000603)

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	0.8009	1.5862	0.9738	1.1876	0.5844	0.9331	1.6531	0.9480	1.0788	1.2873	1.1177	1.0942	0.9076	0.8228	1.2319	0.7960	1.0434	0.8904	0.3166	0.9897	1.5662	0.8956	0.9917	1.1121	1.0362	1.1666
1-monopalmitin	0.9001	0.6771	1.1585	0.8510	0.7382	1.2108	0.7966	1.2905	1.1258	1.1770	0.8481	0.7807	1.0780	0.9290	1.1112	1.2707	0.8723	0.5576	0.6054	1.7843	0.3346	0.3585	1.0263	0.7229	0.9616	1.1220
1-monostearin	0.6704	0.9563	0.9862	0.7583	0.3858	0.5787	0.7880	0.6033	1.0056	0.8280	0.8032	0.8551	1.9591	0.9250	0.6434	1.1844	0.7720	0.5787	0.7265	0.6156	0.6033	0.3817	0.8393	0.8896	1.0123	1.0642
2,3,5-trihydroxypyrazine NIST	1.1004	1.2083	1.2711	0.9981	0.8941	0.7540	0.8845	2.3055	0.9739	1.2579	1.0362	0.9054	1.0271	1.0259	1.0440	0.8955	0.7873	0.8265	0.4712	0.8990	0.5220	1.4645	1.0464	0.6452	0.9269	0.8058
238267 trisaccharide	0.9935	1.8120	1.3223	1.1707	0.7987	1.3692	3.9434	0.6846	0.8809	1.0338	1.1786	0.9052	0.6854	0.6435	1.1330	0.8189	1.3295	0.2875	0.7120	0.8489	0.7394	0.6435	1.0292	0.6744	0.9506	0.6983
2,3-dihydroxybutanoic acid NIST	0.8876	1.4556	1.0832	1.1387	0.5630	0.9358	0.9434	2.0998	0.8698	0.9719	1.0159	1.0364	0.8474	0.6400	1.0138	1.0470	0.8818	1.2857	1.1222	0.5173	0.8977	0.7760	0.9852	0.7741	1.2385	1.0890
2-aminoadipic acid	0.9042	1.2313	1.0473	1.3866	0.9850	1.8185	1.3298	1.0229	0.8562	0.9746	0.9267	1.1517	0.8827	0.8055	0.9775	0.8481	1.0434	0.4660	1.2673	2.5800	0.4546	0.5001	0.8316	0.8382	0.9913	1.2454
2-deoxyerythritol	1.3159	0.7516	1.2349	0.9885	0.9060	0.3094	0.4007	0.6187	0.5637	1.0309	1.1784	0.6363	0.8478	1.3927	0.5897	1.1752	0.6881	1.6403	0.8970	0.5253	0.5523	5.7036	0.6101	0.7776	1.0564	0.6306
2-deoxytetronic acid	1.0241	1.1669	1.1683	0.9965	0.8262	1.8115	0.7466	1.4872	0.7283	1.0970	0.9222	1.0404	0.9330	0.9685	0.8874	1.0754	0.8770	0.9853	0.9976	1.2179	1.3280	0.6548	0.6416	1.1659	0.9866	1.0290
2-hydroxybutanoic acid	0.7493	0.8708	1.1067	1.0895	0.9695	2.7221	1.1415	0.6145	0.7173	1.6621	0.7229	0.9070	0.8091	0.6823	0.8126	1.1636	1.3836	1.3847	0.5875	2.8389	1.1235	0.7630	0.6682	1.6594	0.8459	1.1585
2-hydroxyglutaric acid	0.6901	0.9567	0.9723	1.0505	0.6118	0.7045	1.0373	0.5954	0.6673	0.6915	0.6973	0.6629	1.0385	1.2518	0.6707	1.2619	1.4743	2.4360	1.5742	0.5512	1.1855	0.8735	0.6924	1.3610	1.1441	0.9252
2-hydroxyhippuric acid	0.3216	4.8255	0.5151	5.3228	0.5409	0.2028	0.2887	0.4837	0.2224	0.3209	0.3073	0.4972	0.7865	0.3530	2.4683	0.5528	0.2192	0.2068	12.6976	0.2068	0.1950	0.3160	0.3095	0.1794	0.2878	0.2391
2-hydroxyvaleric acid	2.4503	0.8436	1.6355	0.8255	0.6182	0.8271	0.5112	0.6729	0.5156	0.7544	2.2075	0.7031	0.8945	0.4154	0.5765	0.7123	0.5552	0.5666	1.2733	0.5552	0.9015	0.6243	0.5618	0.7177	0.6035	0.7199
2-ketoisocaproic acid	0.9540	1.0877	1.1990	1.1431	1.1587	1.1794	1.6125	0.9161	0.9571	1.2833	1.0158	1.2681	0.9515	0.7145	0.7421	0.9164	0.9429	0.5277	0.5840	1.0640	1.3879	0.9004	0.7988	0.9028	0.8595	1.0868
2-oxogluconic acid NIST	0.7541	0.7768	0.9216	0.9891	1.2934	0.6607	0.6607	0.7688	0.9951	0.8199	0.8797	1.1065	0.5746	1.0346	1.1262	1.0337	0.6847	3.0994	2.1563	0.5166	0.6367	1.2253	2.2504	0.8739	1.3060	1.0417
3-aminoisobutyric acid	1.4518	0.7896	1.3079	0.8723	2.1012	0.8343	1.2564	0.8514	1.2035	1.0777	1.2685	0.8349	1.1786	0.7931	0.4446	0.9013	0.5830	1.8882	0.3842	0.7221	0.7636	0.7416	0.9888	0.6977	0.8045	0.5545
3-hydroxybutanoic acid	0.3848	0.8897	1.3694	1.0169	0.8898	14.7182	0.3122	0.7007	0.2397	1.0669	0.5986	0.6078	0.7571	0.3085	0.6804	1.3632	1.1593	2.4073	0.3249	14.7284	0.2852	0.7387	0.2245	1.0010	0.6103	0.6868
3-phosphoglycerate	1.3719	1.3235	1.5330	1.7986	0.8842	1.0972	5.4749	1.4932	0.5760	0.7749	0.9715	1.1708	0.7551	0.8498	1.1778	0.6391	1.0769	0.5260	1.4790	0.2885	0.2715	0.3959	0.4572	0.3224	0.3668	1.0811
400671 carbohydrate	0.8143	1.5654	0.9489	1.0803	0.9435	0.9219	0.9668	1.3970	1.2514	0.7828	1.2224	1.3132	0.6683	0.9903	1.4070	0.9109	0.7386	0.6213	1.1412	0.6611	0.9768	1.3007	0.9629	1.1371	1.1373	1.0617
4-hydroxyphenylacetic acid	0.7233	0.9619	1.1213	1.9978	0.5964	0.7156	0.5656	1.8353	0.7310	1.0562	0.7121	0.9298	0.6111	0.8989	0.8888	1.2175	0.4883	0.7964	5.8810	0.5656	0.4040	1.0042	0.8522	0.6983	0.8805	0.8542
4-hydroxyproline	0.8506	1.0064	0.9302	1.0163	1.1978	1.0759	1.1690	0.8601	0.9921	0.8606	0.7837	0.9443	1.2363	1.0599	1.0748	1.1082	0.8239	1.0484	1.5118	1.1545	1.2700	0.0279	0.9650	0.9841	1.0756	0.8519
5-aminovaleric acid lactame	0.6484	1.6496	1.4521	1.0414	0.7350	1.3188	1.5266	0.8439	0.5506	2.1574	0.9166	0.9801	0.8726	0.9944	1.2690	1.0666	0.4813	1.0983	1.4715	1.7175	1.2722	1.9337	0.5117	0.9255	0.6940	1.0365
5-hydroxynorvaline NIST	0.7634	1.3162	1.0402	1.0786	0.8938	0.7362	0.5175	1.6597	0.8120	1.2648	1.3182	1.2011	0.8400	0.7551	0.8856	1.0461	0.8910	1.6775	0.8878	0.3302	0.6202	0.3569	0.9451	0.9938	1.2043	0.7247
5-methoxytryptamine	0.6133	1.1220	1.0591	1.1477	0.1899	3.3416	4.1613	0.8684	0.8597	0.4055	0.8040	0.7032	0.8881	1.3768	0.7789	1.0900	0.7868	0.4134	0.6044	2.8136	1.3616	1.3512	1.1098	1.3226	1.0408	1.2937
6-deoxyglucitol NIST	0.8697	0.5210	1.0315	0.9440	1.0077	0.3314	1.0651	0.5745	0.6740	1.0466	1.1097	1.2075	1.2867	0.7301	0.7299	0.7840	0.9132	1.0260	1.2915	0.7083	1.1345	0.7952	0.8158	1.0256	1.2763	1.3535
715929 carbohydrate	0.7212	1.8829	1.5180	3.0587	0.2190	1.2645	4.6673	0.9204	0.5407	0.3770	1.1060	0.6413	1.1126	0.5976	0.6362	0.6700	0.5501	0.4744	3.8517	0.2960	0.7222	0.1572	0.4784	0.4039	0.3356	0.3435
acetophenone NIST	1.7547	1.0150	1.2251	1.0000	0.6785	1.0596	0.7621	0.8099	1.1534	0.9267	1.3183	0.9200	0.6137	0.8835	1.0429	0.8754	0.6987	1.3057	0.5011	1.3284	0.6666	1.9173	1.0982	0.6633	1.0148	0.9138
aconitic acid	0.7762	1.3733	1.3396	1.4259	1.0125	1.0358	0.3972	0.6932	1.1488	1.2403	1.3282	1.1933	1.5646	0.6649	0.5413	0.6316	0.3879	0.4206	2.0639	0.3271	0.4439	1.1059	0.5698	0.4673	0.7633	0.6342
adenosine-5-phosphate	1.0740	1.3270	1.7884	1.5690	0.3264	3.3813	4.1910	0.1728	0.4489	0.4074	1.0281	0.7329	0.8922	0.6505	0.2406	0.4548	0.1691	0.2033	15.3428	0.1965	0.1423	3.6998	0.2863	0.2134	0.3901	0.2188
adipic acid	1.2005	0.5586	1.2976	1.4692	0.7251	1.0265	2.5649	0.9965	1.1251	1.4604	1.2605	1.2601	1.2182	0.5869	0.6119	0.6425	0.6696	0.9590	0.8054	0.9565	0.4521	0.6394	1.0019	0.5576	0.7514	0.5598
alanine	1.0178	1.3989	0.9283	1.0160	0.9900	0.4983	1.2222	0.5534	1.0844	0.7465	0.9697	1.0612	0.7898	1.1707	1.1447	0.9873	1.1211	1.1275	0.7700	0.5866	1.1074	0.7817	1.1376	0.7420	1.1457	1.1401
allantoic acid	0.8612	1.4584	1.2423	0.8406	0.5942	0.7157	1.3638	1.5799	1.0218	1.0128	0.9421	1.2153	1.0323	0.7832	1.0364	0.8739	0.8683	0.7292	0.6077	0.5806	0.5131	1.3774	1.0308	1.2930	0.8652	1.4256
alpha ketoglutaric acid	1.2784	1.3233	1.3721	1.8873	1.6930	0.7771	0.9744	1.0778	0.8643	1.4021	1.3116	1.3943	0.8841	0.5785	0.4606	0.6280	0.9102	0.5327	0.2413	0.7113	0.6611	0.4105	0.6977	0.6259	0.4774	0.7023
aminomalonic acid	1.3703	0.7198	1.2237	1.2003	1.4472	0.6395	1.1835	0.5752	1.1173	0.9212	1.2746	1.0453	1.3676	0.8439	0.4946	0.8249	0.6790	1.3526	0.7944	0.5311	0.7820	0.5688	0.8039	0.6336	0.6706	0.6103
arabinose	1.1561	1.2096	1.3346	1.0028	1.0542	1.1859	0.4072	0.9053	0.9850	1.1731	0.8943	1.1029	0.9619	0.7526	0.8519	0.9949	0.9250	0.5258	1.5793	0.8420	0.3637	0.9804	0.8552	1.1415	0.8135	0.7500
arabitol	0.8798	1.3661	0.9862	1.4152	0.7768	1.0792	0.9137	1.0262	0.9733	1.1504	1.0181	1.0203	0.7577	0.9211	0.6753	0.9566	0.8812	1.0858	2.7046	0.6290	1.2116	1.1520	0.8055	1.1189	0.9979	1.1009
arachidic acid	1.1904	1.5448	1.2195	1.2696	0.7149	0.9486	1.2822	1.2573	1.4467	1.7013	1.4566	1.4285	1.3049	0.5273	0.7105	0.5797	0.5573	0.3815	0.5805	0.8012	0.4823	0.7470	0.7547	0.5775	0.6570	0.5701
arachidonic acid	0.4980	0.5700	0.6170	0.5162	0.7459	0.5496	0.3380	0.4452	0.4144	0.4026	0.5329	0.5243	4.8352	0.5375	0.5785	0.7331	0.7362	1.1777	0.5027	0.8110	0.4040	0.6061	0.5151	0.5199	0.4938	0.5504
asparagine	0.6272	1.2499	0.7969	0.8450	0.7163	0.8606	0.9901	0.5095	0.9860	0.7579	0.8903	1.0067	0.7570	1.3049	1.1036	1.2470	1.2787	1.1182	1.0565	1.0016	1.4402	1.6860	1.0876	1.0330	1.2094	1.1769
aspartic acid	0.3824	0.3713	0.5855	0.4167	0.4414	0.4172	0.9215	0.5997	0.4644	0.3070	0.4613	0.3934	0.3893	1.7601	1.3556	2.0756	2.1720	2.4287	2.1413	1.5234	1.5565	1.5933	1.2690	1.3334	1.1501	1.4406
azelaic acid	0.4715	0.4066	0.4055	0.4762	0.4947	0.4691	0.6653	0.6226	0.5110	0.4051	0.3408	0.4042	0.3291	2.3311	0.8486	1.9578	3.9106	5.2411	1.0150	0.3710	0.9297	0.7292	0.7513	0.8390	0.9291	0.9930
behenic acid	0.8190	1.2832	0.9085	0.9715	1.2238	1.3601	0.3360	1.1334	1.2798	0.9745	0.8438	0.9319	0.5788	1.4147	1.5685	1.2716	1.1670	0.1862	0.4311	0.4776	1.1334	0.3886	0.9877	0.8662	0.9570	1.3410
benzoic acid	0.9659	1.0236	1.0756	1.1017	0.8571	0.7411	1.4090	0.9535	0.8408	1.2972	1.1224	1.0948	1.0991	0.8976	1.0145	0.9406	0.8368	0.6697	0.7474	0.6552	0.6679	0.6975	0.9450	0.8428	1.0098	0.9385
benzylalcohol	0.4854	1.2614	0.7725	1.0320	0.8633	0.1761	0.4677	0.5814	0.6676	0.7500	0.7340	0.8431	0.5142	0.6125	2.3478	1.5425	1.2409	1.3697	2.2187	0.4583	0.5746	0.2847	0.9138	1.1023	1.7102	0.9972
beta-alanine	0.8333	0.8149	0.8996	1.1551	0.7729	0.5653	1.1449	1.1233	0.6637	0.6670	0.8865	0.8285	0.6063	1.5027	1.0414	1.0529	1.7214	1.3322	1.4060	0.4861	1.0225	1.7102	0.8071	0.9541	1.2509	1.0801
beta-sitosterol	0.6774	0.7872	0.9969	1.0558	0.4327	1.1389	1.0803	0.8709	1.1738	1.0196	0.9869	0.9016	1.8433	0.9693	0.9882	0.9423	0.6071	0.5778	0.7453	0.8625	0.5946	1.1138	0.8416	0.8039	0.7955	1.0994
butane-2,3-diol (NIST)	1.3958	0.1707	1.3663	0.3140	0.5338	0.1766	0.3774	0.3000	0.1539	0.6892	1.0534	0.2199	0.1097	2.2436	0.2433	2.6609	0.2646	1.7636	0.3909	0.2553	0.3610	8.8904	0.1641	0.8958	1.0883	0.3404
capric acid	0.9489	1.0699	1.1437	1.1149	0.9638	0.4979	1.3863	0.9870	0.6594	1.2893	1.0454	1.0970	0.8218	0.8734	0.8493	1.1314	0.9403	1.1919	0.3633	0.7741	0.7345	0.7389	0.8795	0.8876	1.1375	0.8941
caprylic acid	0.9701	1.2164	1.1014	1.1744	0.9529	0.8997	1.3044	1.1653	0.9879	1.4289	1.0311	1.2113	0.9597	0.8933	0.5676	0.9015	0.8489	0.7494	0.3059	0.8506	0.6562	0.2387	1.1363	0.8803	1.0712	0.9521
cellobiotol	0.9102	1.4901	1.4745	2.5216	0.3060	1.1094	3.8637	1.0438	0.7041	0.5137	1.0425	0.8495	0.9582	0.6257	1.0534	0.7435	0.6175	0.4153	2.6232	0.6285	0.7924	0.5356	0.4982	0.6790	0.4501	0.6886
cholesterol	0.8865	1.0570	1.1260	0.9884	0.2074	0.9159	1.1930	0.2912	1.3055	0.8550	0.8849	0.4855	3.0105	0.8428	0.7171	0.6377	0.3892	0.1993	0.3378	1.0426	0.4235	0.6015	0.9308	0.8679	0.5583	0.4710
citric acid	1.0807	1.2479	1.5133	1.2628	1.1418	0.8183	0.5814	0.6022	1.0516	1.2527	1.3694	1.3156	1.1739	0.5854	0.4617	0.7712	0.5712	0.8057	0.6871	0.4320	0.2593	0.3510	0.6344	0.6339	0.7364	0.6803
citrulline	0.6915	0.7093	0.7067	0.8373	0.9517	0.5662	0.5965	0.7392	0.8472	1.0826	0.9770	1.1166	0.5767	1.2437	1.2002	1.2104	1.0256	3.1207	0.8424	1.0792	1.1581	1.0276	0.9717	1.0928	1.7249	1.0879
conduritol beta expoxide	0.7449	0.3579	1.0415	1.6402	1.5672	0.5615	0.6674	0.4310	0.4880	0.4439	1.1755	0.6797	0.8919	0.9122	0.3639	1.1595	1.5432	2.9184	1.8619	0.7339	0.5911	0.6206	0.4490	0.4137	1.1850	0.7269
creatinine	0.4406	0.8209	0.6804	1.6830	0.6636	0.5258	0.6132	0.3749	0.7128	0.6355	0.7831	1.0294	0.5728	0.9153	0.9075	1.1968	1.0782	2.3801	4.9636	0.8796	1.0494	0.7016	0.7875	0.9838	1.4360	1.3483
cyano-L-alanine	0.7116	1.0243	1.0613	0.8608	2.7028	1.3977	0.9860	2.0487	0.6382	0.8736	1.1289	1.3753	0.6419	0.6510	0.7874	1.0476	0.5897	5.7056	0.7371	0.8233	0.6318	1.3498	1.1951	0.6055	1.2418	1.0312
cysteine	0.6967	1.1226	0.8421	0.9088	0.5919	1.2370	0.9611	0.7664	1.4306	0.5294	1.1823	0.7826	1.3566	1.0186	0.7622	0.9749	1.0325	0.4805	0.8776	0.7624	1.3743	0.6931	1.2816	0.7294	0.9913	1.2791
cysteine-glycine	0.5683	1.8903	1.1278	1.2188	0.4696	2.7368	1.7497	0.9108	1.1613	1.0756	1.2293	0.9297	0.9065	0.8339	0.7616	0.9155	0.7380	0.2064	1.3437	1.9516	1.0947	0.7493	0.9250	0.8637	1.0300	0.9608
cystine	0.3198	0.7732	0.7217	0.7579	0.6200	0.3194	0.8479	1.0361	0.7561	1.1123	1.0715	1.2964	0.4851	0.9876	1.0280	1.2685	1.1848	0.6794	1.1100	0.3995	1.5925	1.2524	0.9030	1.6148	1.6009	1.8918
cytidine-5^-diphosphate	0.8119	1.1358	0.9725	1.2899	0.9146	0.8276	0.8649	1.0812	0.8015	0.7456	0.6596	0.8749	0.6744	0.9059	0.8854	1.2615	1.4510	0.6561	1.5621	2.0877	1.0066	3.0571	0.9817	1.0923	0.9778	0.9736
deoxytetronic acid NIST	1.3960	1.2436	0.7326	1.4271	0.5687	2.3344	0.7418	1.8126	0.5891	1.0717	0.8031	1.1049	0.8060	0.8342	0.9798	1.0915	1.4775	1.0533	1.6031	1.7366	0.5742	1.8911	0.5323	0.9464	0.8191	1.0987
deoxythreittol NIST	1.1287	0.8817	1.9671	1.0505	0.7772	0.3900	1.2392	0.7539	0.7285	0.9518	0.9219	1.0132	0.8641	0.7991	0.6202	0.8070	0.7503	1.2771	1.5448	0.3085	0.8084	0.8325	0.6462	0.7913	0.8458	0.8870
dihydro-3-coumaric acid	1.0028	2.2899	0.9377	0.7217	0.4350	2.5616	0.5623	0.6163	2.0464	1.1246	0.6831	0.6653	0.7086	1.2577	1.3429	1.0859	0.6959	0.6077	0.2591	3.7146	0.9102	0.1860	2.5529	0.8271	0.8720	0.7631
dodecanol	1.1764	0.9677	1.1525	0.9866	0.7460	0.6612	1.0368	1.6746	0.7356	1.1659	1.0426	1.2616	0.8495	0.9322	0.9605	0.8999	0.7528	0.9312	0.4989	0.6378	0.6299	1.8585	0.9253	1.0202	1.1254	1.2017
erythritol	0.2439	0.3968	0.3944	0.5963	0.2257	0.1667	0.2034	0.3587	5.8175	0.3279	0.4356	2.4926	0.9763	0.2814	0.3209	0.3795	0.3413	0.4979	1.0165	0.5362	0.2733	0.2101	5.3459	0.2343	0.4174	3.0802
ethanolamine	0.9062	0.9172	0.6603	1.7879	1.4272	0.1698	1.7905	1.3074	0.4887	1.2467	0.9571	0.5140	0.1821	1.0982	1.6504	1.1077	1.7822	0.4975	1.1024	0.2182	3.0428	0.1673	0.6414	1.7080	1.1116	1.4449
fructose	0.3298	0.5748	0.3161	0.3350	0.5249	0.1339	0.2117	0.0632	1.6018	0.2036	0.7234	0.3727	5.6421	0.4004	0.3930	0.2535	0.2549	0.2763	0.9759	0.1442	0.2178	0.1114	1.3858	0.3432	0.8545	0.2750
fucose	1.0357	1.8122	1.0282	0.9641	0.5495	1.8407	0.6043	0.7685	1.7301	0.6740	0.8406	0.8055	0.8526	1.1283	1.2204	1.0517	0.7768	0.5435	0.9860	2.3809	0.6157	1.0098	1.8158	0.6777	0.8908	0.7511
fucose + rhamnose	0.7634	1.0347	1.1155	1.4555	0.9004	0.6906	1.2539	1.1172	0.7645	0.8630	0.9361	1.0751	1.0176	0.7170	0.9598	0.9770	0.9944	1.0851	2.1179	0.5819	0.9267	0.1563	0.7783	0.8713	0.9157	1.1679
fumaric acid	0.8665	0.9574	1.0222	1.0029	1.1872	1.0674	1.0784	1.1151	0.5484	1.1930	0.9506	1.2561	0.8337	0.9078	0.8299	1.1050	0.9577	1.5332	1.4764	0.9794	0.8510	0.3815	0.8198	1.1949	1.0485	1.2623
galactonic acid	0.8748	1.2843	1.1289	1.2843	0.6608	0.8643	0.4515	0.4214	1.0693	0.9202	1.0829	1.0296	1.0967	0.8643	0.8159	0.8848	0.7534	0.4257	2.8058	0.7310	0.4343	1.5566	0.9016	0.9073	0.9558	0.8262
galactose-6-phosphate	0.9881	0.8836	1.1295	0.9662	0.8665	1.4707	1.1116	1.1971	1.2911	1.2356	0.9906	1.0489	0.7772	0.9662	1.3168	0.9446	0.7405	0.7525	1.2227	0.8209	1.2655	1.5220	1.1230	0.8893	1.0004	1.0603
gamma-glutamyl-valine	1.0003	0.6295	1.0095	0.8937	2.1536	1.2708	0.9145	1.5558	1.1184	1.3361	1.2269	1.4912	0.6743	1.0051	0.7067	0.9614	0.7993	0.8195	0.9323	0.4038	0.8195	0.9739	1.0669	0.8700	1.0036	0.9366
gamma-tocopherol	0.7115	1.2596	0.9695	0.7461	0.2258	1.2096	0.6290	0.3484	1.7015	0.5915	1.0183	0.6989	1.5748	0.6644	1.8374	1.4563	0.5022	0.3363	0.3544	0.9459	0.4137	0.1524	1.1943	0.7590	0.9530	0.5457
gluconic acid	0.8674	1.2406	1.1430	1.2987	0.5864	0.9837	0.7269	0.8723	0.9409	1.0395	0.9886	1.1431	1.1970	0.8602	0.8069	0.8368	0.7797	0.5718	2.7913	0.6833	0.5428	0.3489	0.9127	0.9256	0.8924	0.8820
glucose	1.2035	0.8684	0.9809	0.8414	0.9469	0.8914	0.7504	0.9902	1.4634	1.8440	0.9410	1.1125	0.9615	1.2365	0.6184	0.8889	0.7630	0.3438	0.8844	0.7787	0.7323	0.8209	1.1784	1.6314	0.8673	0.9770
glucuronic acid	0.6657	3.9068	0.6034	1.9373	0.6009	0.3427	0.3339	1.9683	0.6275	0.4913	0.9317	0.9755	1.3416	0.7769	1.4703	0.7019	0.5115	0.3456	6.7366	0.3163	0.4393	2.0679	0.5792	0.6488	0.9344	0.6291
glutamic acid	0.8424	1.1428	1.1524	1.0979	0.8584	1.3601	1.5583	0.9425	0.7833	0.8486	0.8695	0.9830	0.9029	0.9974	0.7298	1.2841	1.2743	1.4460	1.0253	1.1424	1.1239	1.0245	0.7503	0.9007	0.6916	0.9287
glutamine	0.8125	2.0228	0.9210	0.9400	0.8799	1.0999	0.9373	1.0474	1.1229	1.4681	1.1350	1.3332	0.7080	0.9651	1.2795	0.9851	0.8487	0.4166	0.8714	0.8436	1.0198	1.0494	0.8488	1.0280	1.1181	1.0317
glutaric acid	0.8074	1.3130	1.0145	1.5678	0.7704	0.8724	0.6115	1.7537	0.9098	1.1759	0.9249	0.9173	0.8699	0.9353	1.2748	0.9220	0.9461	1.0073	3.1971	0.5666	0.7375	1.5199	0.6520	0.8161	0.8473	1.0509
glyceric acid	0.7171	0.9048	0.8769	0.8655	0.8398	0.8700	0.9406	0.4194	0.5305	0.7241	0.8626	0.8894	1.5160	1.1331	0.8633	0.9634	1.0831	1.0281	0.8892	0.6576	1.1103	0.7240	0.6986	1.0593	1.4034	1.2487
glycerol	1.2302	0.8968	1.4045	0.8153	0.9804	1.4858	0.8327	0.6370	0.8290	0.7443	1.0042	0.9964	0.9627	0.9821	0.6517	1.2474	0.8286	1.4038	0.7301	1.1369	0.6504	0.4844	0.7071	0.5711	0.8757	0.8418
glycerol-3-galactoside	0.9140	1.1701	1.1369	1.0440	0.3725	0.8268	0.3257	0.2631	1.2711	1.0536	0.9829	0.6570	3.3432	0.4629	0.2838	0.3638	0.4207	0.2155	1.7201	0.1729	0.2881	0.1654	0.6848	0.5224	0.5288	0.7212
glycerol-alpha-phosphate	0.4815	0.4433	0.5799	0.5986	0.4655	0.4842	0.7172	0.3208	0.4670	0.3983	0.5079	0.3598	5.2159	0.6608	0.3200	0.6369	0.6422	0.8579	0.5076	0.4781	0.7883	0.4131	0.4643	0.4993	0.4808	0.5004
glycine	0.9384	1.0095	1.0151	0.9623	1.0076	0.6140	0.9144	0.5829	1.0108	0.8686	0.9824	0.9725	0.7812	1.0811	0.9427	1.1555	1.1071	1.2010	1.5538	0.7562	0.9274	0.7587	1.0210	0.8297	1.0692	1.0684
glycolic acid	1.0643	1.5388	1.1203	1.3091	0.8446	0.8165	1.3433	1.0027	0.9421	1.1195	1.0244	1.1170	1.3815	0.7035	1.0769	0.7623	0.7733	1.1080	0.8227	0.8868	0.8815	0.3161	0.8461	0.8644	0.7536	0.8436
glyoxalurea NIST	1.0440	0.6512	0.9123	0.8617	1.1324	0.4993	0.9226	1.6824	0.4939	0.8837	0.7601	0.6223	0.6549	1.2840	1.0447	1.5013	1.3636	2.0080	1.0709	0.8104	1.3495	1.4943	1.2030	1.0149	0.9234	1.1800
guanosine	0.9302	1.2153	0.9843	0.9102	0.9180	0.4694	0.7668	0.5477	1.2205	0.7276	1.0472	1.1753	0.6720	1.1795	1.1267	1.0961	1.0140	0.5946	0.6181	1.3614	0.6572	1.1110	0.9597	1.0680	1.0920	1.2787
heptadecanoic acid NIST	1.1811	2.0765	0.9193	0.9121	0.7491	0.9930	0.7400	2.6047	0.7992	0.8722	1.4086	1.0912	1.3302	0.7878	1.4926	0.6990	0.7064	0.9198	0.4275	0.9470	0.3679	0.8780	0.6550	0.7970	1.0767	0.9670
hippuric acid	1.2621	0.4607	1.1033	1.3619	0.9600	0.4316	0.2565	0.2898	0.9553	0.8098	0.9345	0.6662	0.9730	1.1116	0.5304	1.0253	1.3244	0.7374	0.6287	0.6233	0.2451	0.2986	1.2022	1.2483	0.9295	0.8699
histidine	0.4765	1.8954	0.7611	0.8081	0.6633	0.8445	0.8227	0.7167	1.0416	1.2190	1.1117	1.0706	0.4242	1.2504	1.2506	1.2006	1.2411	0.4745	1.2765	0.7663	1.8026	1.3535	0.8171	1.3619	1.3759	1.2758
hydroxylamine	0.7701	1.0383	0.9105	0.9565	0.9148	0.3263	0.9950	0.5258	0.8717	0.8671	0.8204	0.6910	0.5333	1.3983	1.1822	1.2062	1.3676	1.0208	0.7105	0.6624	0.8974	1.6107	1.0624	0.9994	1.5344	1.1706
hypoxanthine	0.5096	0.4180	0.5796	0.7849	0.4427	1.0051	1.2958	0.3458	0.5669	0.4921	0.3826	0.4517	0.4758	1.4912	1.0006	1.8908	1.7823	2.9901	2.6581	2.5558	1.8893	1.5555	1.0822	1.1564	1.1065	1.7490
indole-3-acetate	0.5869	1.5428	1.0279	1.0746	0.8657	0.5073	0.7423	3.6424	0.7475	0.9814	1.0576	1.0325	0.9062	0.9544	1.1744	0.8801	0.9174	1.2249	1.2385	0.4466	0.8104	4.4627	0.7374	0.9415	1.1837	1.0260
indole-3-lactate	0.7654	1.1540	1.0498	1.1326	0.6873	0.5980	1.1266	0.4499	1.0522	1.2573	1.0460	1.2407	0.8293	0.7678	0.7118	1.0118	1.0594	0.6167	0.7414	0.5080	0.9204	1.6477	1.0625	1.0113	1.0559	1.2189
inosine	0.4315	0.4526	0.4759	0.5159	0.3650	0.3942	0.5110	0.5475	1.0110	0.4763	0.4739	1.3764	0.4725	2.5239	1.1169	0.8909	0.5533	0.5986	1.7447	2.3579	0.6935	2.0294	1.5245	0.8468	1.2107	4.9211
inosine 5^-monophosphate	1.1773	1.1183	1.4082	1.6156	0.5923	0.6233	3.6600	1.3659	0.8443	1.2664	1.0578	1.0182	0.9135	0.7376	1.1736	0.7439	0.6816	0.4774	0.6498	0.7294	0.4509	1.3791	0.7470	0.8321	0.7445	0.7957
inositol myo-	0.6767	0.8476	1.0485	1.6227	0.9422	0.8890	1.0688	0.8114	0.8302	0.8042	0.9880	1.0641	0.9650	0.7486	0.6320	0.9090	1.0530	0.9116	3.3722	0.9456	0.9258	0.8578	0.7709	0.7814	0.9957	1.0115
inulobiose	2.0564	1.5609	0.7614	1.7594	0.4347	0.7260	0.2546	0.8800	1.0669	0.8965	0.6638	1.0755	0.7785	2.3998	0.6136	0.7029	0.5145	0.2263	4.4406	0.4997	0.1854	0.4400	0.7752	0.8949	0.6972	0.7785
isocitric acid	1.0436	1.2990	1.6364	1.6356	1.1982	0.8125	0.7915	0.7704	1.1842	1.0571	1.2824	1.4167	1.2477	0.4888	0.4095	0.5810	0.3868	0.5653	1.0820	0.4102	0.3155	0.3524	0.6175	0.5331	0.6773	0.5417
isoleucine	0.9457	0.9930	1.0474	1.1313	1.2617	1.2213	0.9913	1.0926	0.9907	1.0478	0.9825	1.1654	0.9683	0.9826	0.8325	0.9503	1.0278	0.6454	0.6664	1.0754	0.9890	1.0694	0.8795	0.9095	0.9355	1.0675
isolinoleic acid NIST	0.8759	0.9205	1.3022	1.2962	1.0285	0.7538	0.9228	0.8242	1.2727	0.7555	0.9402	0.9870	1.2927	0.7185	0.7555	1.0496	0.7883	1.1482	0.5002	0.9369	0.5636	0.7256	0.7737	0.6921	0.7422	0.8524
isothreonic acid	0.7374	1.2295	0.8985	1.7519	0.6942	0.5460	0.7252	0.7810	0.9909	0.7544	0.8847	1.1095	1.2162	0.7603	0.8921	0.8137	0.7693	1.2104	4.4966	0.4699	0.7708	0.9737	0.9669	0.7353	0.8765	0.9206
kynurenine	0.3383	0.7064	0.5138	1.9036	0.4804	0.4374	0.4103	0.8070	0.5295	0.4569	0.6129	0.5753	1.4068	1.6025	1.7454	0.6250	2.8299	0.5968	6.0507	0.5086	0.4137	0.3933	0.6052	0.6129	0.6580	0.7285
lactamide	0.7559	0.7605	1.2584	1.2791	1.6164	0.7535	1.9780	0.4082	0.6558	0.9768	1.0028	1.0303	0.8580	0.7950	0.8660	1.0607	0.8003	2.3164	1.0971	1.1617	1.3850	0.5931	0.8326	0.8146	0.9374	1.0610
lactic acid	0.9172	0.7948	1.1545	1.4713	1.4255	0.7175	1.3980	0.2236	0.6967	0.6922	0.6188	0.8007	0.8608	0.8630	0.7862	1.1652	1.2615	2.4349	1.2396	0.8315	1.6684	NA	0.8936	0.8705	0.8603	1.0420
lathosterol NIST	0.8533	1.0468	1.1753	0.9136	0.7042	1.2847	1.6130	0.9421	0.9897	0.9100	0.9773	0.8406	1.3125	0.8761	1.2597	1.0121	0.6837	0.6994	0.7423	1.2562	1.1562	0.2998	1.1967	0.8243	0.8983	1.0033
lauric acid	1.0942	0.8685	1.2980	1.0456	0.7878	0.6014	1.8098	1.3081	0.7895	1.4868	0.8780	0.9816	0.8675	1.2396	0.6001	1.2597	0.7756	0.6398	0.4731	0.5898	0.5398	0.4422	1.3875	0.7649	0.8655	0.4180
leucine	0.8623	1.2288	0.9146	0.9720	1.2028	1.6154	1.0849	1.5152	0.9544	0.9399	0.9116	0.9788	0.8766	0.9989	1.0573	1.0415	1.1125	0.9914	1.0374	0.9790	1.3232	1.1975	1.0114	1.0002	1.0587	1.1797
levanbiose	0.7695	0.8076	0.6911	1.8105	0.6336	0.9192	1.2464	0.7011	1.0036	0.6914	0.6148	0.6968	0.4999	1.2542	0.8452	1.2108	0.9784	0.7400	2.4772	1.1062	2.0176	1.3788	0.9906	1.6359	1.2714	1.3555
levoglucosan	0.8021	0.8738	0.9591	1.9978	0.5743	0.1666	1.2358	0.6664	1.1711	0.3796	1.1159	1.0962	0.8733	0.5220	0.6880	0.9037	0.9996	0.4850	3.9689	0.1518	0.7761	0.1940	1.1212	0.3933	1.0695	0.8421
lignoceric acid	1.0704	1.5691	1.0723	1.2257	0.8943	1.5552	1.4757	1.0217	1.0305	0.8202	0.9774	0.7753	0.7438	1.1716	2.2287	1.0125	0.7984	0.5487	0.8665	0.9346	0.3897	1.4833	1.1541	0.5553	0.9449	0.7379
linoleic acid	1.0751	0.7962	1.2883	1.0877	1.0173	2.0100	0.8434	0.6243	0.5398	1.0355	0.7533	0.8043	1.6282	0.6188	0.6087	1.1391	1.0234	1.4516	0.9378	2.1133	0.5477	0.6225	0.4813	0.8765	0.5944	0.8159
linolenic acid	0.7842	1.0008	1.3338	1.0304	1.0538	1.8646	0.9704	0.7636	0.4340	0.8938	0.7612	1.0779	1.6466	0.5117	0.6595	1.0880	1.0170	1.8001	0.2901	1.8654	0.6112	0.0871	0.5363	1.1251	0.5911	1.1005
lysine	0.7437	1.1286	0.8806	0.9196	1.1848	0.9147	0.9058	1.0738	1.1028	1.1282	1.1044	1.1976	0.7585	1.0913	1.0210	1.0315	0.9778	0.9841	0.8514	1.0448	1.5550	1.1610	0.9613	1.0209	1.1513	1.1935
lyxose	0.7163	0.8354	0.8480	0.7495	2.4690	0.8841	0.6126	1.4619	0.7669	1.0808	1.1995	0.9050	0.7271	0.7936	0.9311	0.9295	0.7498	4.4972	0.9328	0.4734	0.4316	0.9398	2.2613	0.7536	1.5057	0.8811
maleimide	0.6160	0.6507	0.7278	0.5209	0.4963	0.6322	0.4210	0.3409	0.8039	0.6122	0.5723	0.5997	0.4838	1.5074	1.5660	1.6690	1.2404	0.8741	1.2331	3.4277	1.1348	1.7787	1.5774	1.6101	1.3495	1.4305
malic acid	1.0970	1.0651	1.2454	1.4420	1.2491	0.8078	0.9648	0.6552	0.6694	1.1500	0.9027	1.1429	1.0160	0.9278	0.7248	1.0514	0.9312	1.7322	1.6380	0.1660	0.5116	0.5295	0.4114	0.8414	0.6972	0.8360
malonic acid	2.4565	0.5444	0.9077	0.5383	2.3448	0.1852	0.4383	1.7082	0.5843	0.4183	1.0914	0.5569	0.5431	2.8254	0.4191	0.9710	0.4365	2.4248	0.2367	0.3841	0.2707	5.9302	1.2802	0.3772	1.2679	0.3937
maltose	0.8359	1.6658	1.5560	2.7953	0.2256	1.5436	3.6282	0.8782	0.6820	0.5008	1.0264	0.6692	1.1553	0.5899	0.5936	0.7397	0.5894	0.5364	3.1223	0.4233	1.0593	0.1675	0.5598	0.3785	0.3615	0.3414
maltotriose	1.2123	1.3546	2.1087	1.7901	0.2686	1.1668	6.8374	1.2162	0.6542	0.4351	1.5516	0.5153	1.0223	0.5549	0.5562	0.6818	0.4593	0.2670	0.5537	0.3411	0.8405	0.1879	0.4581	0.4870	0.3937	0.4047
mannitol	0.6523	0.3908	0.8495	1.2513	0.4474	0.3060	0.1851	0.4340	1.0539	0.5921	1.7497	1.1794	1.0388	0.9924	0.3066	0.8214	0.6844	0.4758	2.9464	0.2442	0.4697	0.4070	0.9099	0.5095	1.6790	0.9042
methanolphosphate	1.1328	1.0872	1.0688	0.8841	1.0220	1.0003	0.6452	0.3910	1.1480	0.7918	1.2582	0.6748	1.6178	0.8891	1.3213	0.9235	0.5797	1.4467	0.5442	1.3066	0.5735	0.5083	0.9183	0.6908	0.9335	0.5609
methionine	0.8493	1.3888	0.9081	1.0769	1.2657	0.7022	1.3958	1.0494	0.8824	0.9203	1.0766	1.1884	0.9104	0.9683	0.9920	0.9647	1.1590	0.9790	0.7008	0.5083	1.4703	0.7569	0.8730	0.8466	1.0487	1.1733
methionine sulfoxide	1.0153	0.8002	1.0097	1.1966	0.9433	0.4410	1.4285	0.5297	1.0269	0.9094	0.9386	0.8223	1.1631	0.6797	0.9778	1.0024	1.1478	0.3240	1.2427	0.6120	0.3382	0.2970	1.1396	1.1698	1.0078	0.9673
methylhexadecanoic acid	0.9895	1.0789	0.9986	1.0058	0.7957	1.1673	0.7557	1.0240	0.8420	0.9429	0.8967	0.9691	1.2379	0.9168	1.0218	0.9915	0.9538	1.1167	0.7492	1.0273	0.6987	1.1789	1.2051	0.9609	0.9664	1.0133
myristic acid	0.9593	0.9405	1.2732	0.9979	1.2572	1.0374	0.8967	0.9491	0.7942	1.0829	0.9365	1.0334	0.9620	0.7812	0.8969	1.1669	0.9144	1.6067	0.6999	0.9767	0.8259	0.8875	1.1193	0.7075	0.8601	0.7890
N-acetylglutamate	1.1619	1.4272	1.1243	1.0015	0.9384	1.1691	1.0424	0.5301	0.9620	0.8113	1.0309	0.8641	0.9579	1.0678	0.9173	1.0412	0.7662	0.8157	0.4977	1.5696	0.8805	1.0101	1.0424	0.9681	0.9547	1.0193
N-acetylglycine NIST	0.9527	0.9675	1.4780	0.8934	0.6070	1.3960	0.8497	1.4788	0.7127	1.1091	1.1447	0.9301	0.8120	1.2070	0.8966	1.0197	0.6550	2.1133	0.7725	1.2581	1.2470	2.9686	0.7973	0.6125	0.8939	0.7930
N-acetylmannosamine	1.0335	0.8769	1.1011	0.9472	0.9210	0.4326	1.0466	1.0327	0.9327	1.1775	1.0966	1.3180	0.8536	0.9795	0.9786	0.9131	0.6615	0.5582	1.5281	0.9629	1.0606	1.1304	0.9362	1.0554	0.9330	1.4723
naproxen	1.1364	5.3376	0.4784	0.1081	0.0377	0.0184	0.0141	8.1779	0.0655	0.0211	2.6570	0.7655	0.8129	1.1021	3.2454	0.4281	0.0858	0.0193	0.1889	0.0186	0.0195	9.5323	0.0196	0.0228	2.1641	0.9190
nicotinic acid	2.2405	0.7537	1.6711	1.7992	2.9031	0.6801	1.5150	1.6013	0.9030	1.9217	1.7856	1.2367	1.1582	0.2341	0.3198	0.2255	0.1814	0.2309	0.2373	0.2969	0.3832	0.3857	0.5266	0.2544	0.2351	0.3067
N-methylalanine	0.7658	1.2773	1.0268	1.3107	1.1407	1.8911	1.3921	1.0685	0.7282	1.4006	0.9388	1.1382	0.8596	0.8164	0.9987	0.9067	1.0798	1.5459	0.6002	1.4939	1.3524	0.6333	0.6868	1.2343	0.9525	1.1905
octadecanol	1.0514	1.2387	0.9024	1.2034	1.0866	0.6943	2.4003	1.2960	0.5929	1.2382	1.0966	1.1087	0.8861	0.9993	1.4332	0.8442	0.9337	0.7009	0.8960	0.6149	1.1241	1.0051	0.8343	1.1109	1.1454	0.9390
oleic acid	1.0761	0.7420	1.4396	1.0770	1.2360	2.2552	0.6314	0.6139	0.6029	0.9874	0.8310	0.7757	1.4211	0.5551	0.6140	1.2031	0.9595	2.2953	0.8143	2.2253	0.3976	0.7097	0.5497	0.7036	0.5510	0.7080
ornithine	0.7682	0.9143	0.9859	0.8654	1.1339	0.9680	1.0037	0.5299	0.9011	0.8192	0.8137	1.1273	0.6712	1.1827	0.9030	1.2983	1.0947	1.4615	0.9419	1.1447	1.3429	0.8280	0.9972	1.0528	1.1384	1.2546
oxalic acid	2.6843	0.6505	1.8303	2.0062	2.3385	0.5979	1.4035	2.1864	1.0217	1.8171	1.7774	1.1289	1.4428	0.0686	0.0745	0.0710	0.0756	0.0697	0.1011	0.0329	0.0946	0.0549	0.4070	0.1102	0.1049	0.0918
oxoproline	0.9078	1.1632	0.9453	0.9709	1.0539	0.9668	1.0169	0.7245	0.9053	0.7851	0.8842	0.8084	1.1308	1.1821	1.0414	1.0781	1.0200	1.1842	0.9782	1.0713	1.0661	0.9807	0.9547	1.0190	1.0860	0.9343
palmitic acid	1.1190	1.1751	1.2261	1.0941	1.0915	1.4210	0.8435	0.9470	1.0097	1.0765	1.0592	0.9044	1.3488	0.7220	0.9548	0.9044	0.7831	1.3143	0.6148	1.3498	0.4234	0.9311	0.9864	0.6758	0.7451	0.6810
palmitoleic acid	0.9737	0.7107	1.6947	0.8064	1.8372	1.3658	0.9460	0.4994	0.4965	0.7958	0.8626	0.6157	1.0801	0.6895	0.5932	1.5032	0.7870	4.4184	0.6597	1.3467	0.6660	0.4860	0.4526	0.5589	0.6768	0.5957
parabanic acid NIST	1.9829	0.5661	1.4700	1.7105	1.8056	0.4746	0.9961	2.0858	0.9549	1.5090	1.5288	1.0188	0.9688	0.5651	0.5156	0.5345	0.3384	0.5576	0.4821	0.4725	0.5193	0.6747	0.7935	0.6550	0.5567	0.4692
paracetamol	2.8714	4.3751	0.8962	0.1115	0.0787	0.1152	3.0949	1.1427	0.0974	0.1323	0.7048	0.5711	0.6827	4.4910	2.4704	1.1337	0.1483	0.1097	0.0680	0.0861	3.8683	1.2288	0.0905	0.0868	0.7247	0.2880
p-cresol	0.4661	1.2987	0.7568	0.7877	0.8278	0.1689	0.4485	0.5575	0.6723	0.7080	0.8001	0.9147	0.4709	0.5987	2.3836	1.5530	1.1701	1.3135	2.3367	0.4395	0.7215	0.1336	0.9768	1.0318	1.9631	0.9343
pelargonic acid	0.8918	0.7192	0.9910	1.0105	1.0042	0.3033	1.5560	1.2022	0.6804	1.3828	1.1112	1.0443	0.9176	1.0319	0.8276	1.0615	1.0168	0.9972	0.6839	0.3516	0.6933	0.9330	0.8620	1.0921	1.2086	1.0005
phenylalanine	0.8126	1.0825	0.9639	1.0428	1.1484	0.7165	1.0705	0.8644	0.8623	0.8550	0.9552	0.9286	0.8764	1.1055	0.9154	1.1551	1.3204	1.0557	0.9941	0.8146	1.1862	1.1486	0.8320	0.8955	1.0322	1.0367
phenylethylamine	0.7599	1.5080	1.1196	0.8892	0.4765	0.9530	1.3320	0.8230	1.0532	1.1168	0.8485	0.8342	0.5661	1.0068	1.7490	1.1200	1.1268	0.2301	0.7635	1.1182	1.0802	2.1009	1.0536	1.3821	1.0162	1.3475
phosphoethanolamine	1.3214	1.0836	1.2575	1.8041	0.8056	0.8874	2.3500	0.7536	0.9372	1.5239	1.0102	0.9335	0.6768	0.6761	0.7146	0.8224	0.7251	0.9141	0.9721	0.4459	0.8874	0.6109	0.8019	1.0814	0.9125	0.9218
pipecolic acid	0.5204	1.1443	0.6059	0.3569	0.2723	0.3215	1.3053	0.4779	0.6017	0.5547	0.4762	0.6840	0.3724	1.8299	2.2711	1.6825	1.0859	0.7906	0.6606	0.5147	3.2817	0.2600	1.3565	1.6567	1.3507	2.6164
proline	0.5452	1.5066	0.8083	0.7527	0.7862	0.7470	0.8961	0.4529	1.0414	0.7365	0.8199	1.3372	0.6927	1.1346	1.2650	1.2306	1.1059	1.0872	1.1269	0.5326	1.2532	0.8821	1.2696	1.0134	1.2685	1.4683
pseudo uridine	0.8913	1.6043	1.0933	1.5392	0.7502	0.9020	0.8697	1.0845	1.0554	0.8849	1.0070	1.1433	1.0993	0.7947	1.0175	0.8616	0.7498	0.5281	2.3354	1.0902	0.8019	1.0603	0.8404	0.6303	0.7852	0.8378
pyrophosphate	1.4269	1.0903	2.0036	1.8733	0.6712	1.4103	4.8381	1.8550	0.5549	0.9563	1.1686	0.8937	0.7883	0.4946	0.8750	0.6092	0.4701	0.4186	0.6905	0.9838	0.6334	0.4994	0.3237	0.6340	0.5485	0.6587
pyruvic acid	1.5814	1.2765	1.4822	1.5231	1.6797	0.9218	1.6366	0.9005	1.4515	1.2736	1.2771	1.2953	0.9335	0.5349	0.3345	0.5739	0.4477	0.3716	0.4619	0.2636	0.8083	NA	0.8437	0.5401	0.6892	0.5604
quinic acid	0.7669	1.5898	0.9256	1.1642	0.5769	0.2055	1.1526	1.1510	0.6941	2.2410	1.3374	0.7419	0.9786	0.8117	1.1602	0.7818	1.1090	0.4360	0.7693	0.2272	1.0574	1.5369	0.7075	2.0405	1.2215	0.5610
ribitol	0.6349	1.0221	0.9571	1.9854	0.4204	0.4681	0.7854	0.8504	0.7091	0.8277	1.1759	1.4451	0.7168	0.6216	0.8153	0.6934	0.7927	0.8946	4.3783	0.3121	0.7464	2.2288	0.7048	0.5969	1.1818	1.3356
saccharic acid	0.7935	2.3253	1.0032	1.4929	0.5371	0.6183	0.8186	0.9667	1.8884	0.8448	0.9828	1.1515	1.0896	0.6042	0.8709	0.7722	0.5617	0.4703	3.0046	0.3048	0.6096	0.7316	1.4022	0.5922	0.8964	0.6880
salicylaldehyde	0.7000	0.5447	0.5394	0.7200	0.7569	0.6494	0.3913	0.7354	0.3598	1.0052	0.6497	0.8959	4.2877	0.6193	0.4397	0.4819	0.6193	0.5892	0.4107	0.2881	0.6494	0.6107	1.3123	0.8418	0.5707	0.5670
salicylic acid	0.3683	5.1367	0.7795	3.3344	1.8952	0.0281	0.0403	0.1771	0.2972	0.0758	0.3119	1.0209	0.9041	0.5967	2.9065	1.2399	0.5263	0.0295	7.0955	0.0193	0.0161	0.1592	0.2891	0.0590	0.2763	0.0577
serine	0.7924	0.8979	0.9272	1.0519	1.1215	0.5886	1.0895	0.6405	0.8916	0.9421	0.9282	0.9127	0.7953	1.1604	0.8966	1.2207	1.2417	1.4917	1.0618	0.8010	1.3270	0.8723	0.9869	1.0925	1.0581	1.0060
shikimic acid	0.6177	0.3900	0.5599	0.3892	0.3090	0.1391	0.1550	0.3154	0.4806	0.2564	0.9109	0.7354	0.3220	2.0174	1.3227	1.7056	1.6049	1.3050	0.6780	2.4825	1.3549	2.8796	1.3975	1.5858	1.6271	1.1364
sorbitol	1.0232	0.8955	1.0067	0.9913	0.9103	1.1382	0.8626	0.5554	1.1733	1.3975	1.2243	0.8825	0.8079	1.0974	0.5759	1.0648	0.8590	0.5176	1.7851	0.5302	0.9615	0.9552	0.9082	1.4396	1.0527	0.7487
stearic acid	1.0898	1.2337	1.1007	1.0141	0.7878	1.3873	0.7582	1.2505	1.0660	1.0187	0.9996	0.9802	1.2503	0.8120	1.0666	0.8985	0.8408	0.7495	0.7132	1.1561	0.5541	1.2066	1.0961	0.8173	0.9262	0.8158
stigmasterol	1.2022	1.6132	1.2289	1.0724	0.5270	0.5362	0.9074	0.9761	1.1801	0.9280	1.0206	0.9212	0.9311	0.7974	1.2752	0.7824	0.7191	0.7837	0.9349	0.4675	0.6874	0.6737	1.4207	1.0861	1.0419	0.9310
succinic acid	0.8260	0.7141	0.9519	1.1945	0.9190	0.6547	0.8111	0.6692	0.7680	0.9329	0.8186	0.8406	1.2026	0.9261	0.8347	1.1306	1.1300	1.1784	1.3111	0.7238	0.7965	0.8838	0.7807	0.9584	1.1620	1.0334
sucrose	0.8632	1.0697	0.5743	3.2331	0.3943	0.4656	0.2685	0.3020	0.9697	0.4803	1.0077	0.6842	0.6998	0.6801	0.6953	0.5769	1.1422	0.1258	11.2399	0.5285	0.2265	0.2307	0.6278	0.3429	0.9070	0.5951
tagatose	0.8478	1.4535	0.8375	1.3275	0.5189	0.6989	1.3829	0.9446	1.1246	1.0335	0.9652	0.9053	1.6121	0.7680	1.1796	0.7306	0.9037	0.7412	1.7366	0.7412	0.8048	0.3876	0.9481	0.9255	0.9273	0.9355
taurine	0.3231	0.9402	0.8116	0.6712	0.3083	1.7044	1.1390	1.1564	0.9655	0.2990	0.6585	0.5280	0.4698	1.2880	1.0306	1.6715	1.5552	1.3372	1.9154	2.3170	2.1203	1.9290	1.3946	1.2068	1.2315	1.3486
threitol	0.8099	1.0819	1.0026	1.5138	0.7474	0.4684	0.7223	0.9066	1.0305	0.8258	1.1900	1.0574	0.8399	0.7502	0.6633	0.9171	0.8492	1.1544	2.9193	0.3778	0.6920	0.7464	1.1005	0.6165	1.1717	0.9468
threonic acid	0.6892	0.5122	0.7049	0.7952	0.6940	0.4944	1.4419	0.4612	0.5874	0.7159	0.9559	0.8943	0.8298	1.3020	0.7298	1.1530	1.1421	2.0257	1.6410	0.5831	2.5987	0.7795	0.7044	1.2325	1.5947	1.8451
threonine	0.9298	1.0699	0.9757	1.0537	0.9855	0.7157	1.0462	0.8783	1.0987	0.9593	1.0457	1.1412	0.8959	1.0550	0.8221	1.0043	1.0239	1.0861	0.6743	0.6760	0.9751	0.7871	1.0927	0.9307	1.0524	1.0466
tocopherol alpha	0.9749	1.0746	1.0924	0.9156	0.2311	1.6880	0.8798	0.3461	1.3938	0.7603	0.7757	0.5727	2.5799	0.9538	0.9067	0.8193	0.5367	0.3353	0.4058	1.7381	0.4354	0.0233	1.0328	0.8251	0.5647	0.5441
trans-4-hydroxyproline	0.8413	1.5058	0.9998	1.1237	0.4915	1.8557	0.4757	0.3278	0.9599	1.1753	0.9495	1.5835	0.6462	0.8481	1.2840	0.9815	0.9108	0.7015	1.1766	1.6210	0.4655	0.3864	0.7882	0.9514	1.1172	1.4667
trihydroxypyrazine NIST	1.5488	1.2011	1.2478	1.3636	1.4031	0.7934	1.0578	2.4132	0.9440	1.4490	1.1841	1.0333	1.2023	0.7369	0.7410	0.6590	0.4948	0.5179	0.7713	0.6391	0.5840	0.9697	1.0119	0.6088	0.6320	0.7666
tryptophan	0.4636	1.0551	0.8037	0.8412	0.7788	0.8419	1.2129	0.6480	1.0997	1.1577	1.0145	1.0946	0.7517	1.2192	1.0036	1.1410	1.2291	0.5066	0.5700	0.8619	1.6370	0.8575	1.0860	1.3733	1.2362	1.3592
tyrosine	0.8529	1.3290	0.9950	1.0286	1.2580	0.7682	0.9263	0.9184	1.0629	1.0471	1.0781	1.1044	0.8914	1.0745	0.9891	0.9750	1.0225	0.7780	0.5769	0.5883	1.0482	1.0855	0.8689	0.9276	1.0642	1.0594
urea	0.9793	0.5713	0.9669	0.7310	0.9129	1.7207	1.2833	2.0497	1.1482	0.6230	1.3509	1.3221	1.0506	0.7970	1.3969	0.8983	1.1615	1.0490	1.2830	1.1725	0.9821	1.7519	0.6569	0.8857	0.9389	0.7510
uric acid	0.7539	2.2446	0.9116	1.0097	0.4728	1.4628	0.5206	1.0521	1.1347	1.0979	1.1995	1.1926	1.2392	0.7171	1.5188	0.8840	0.8708	0.6706	0.4939	1.6978	0.5679	1.2001	1.0245	0.8815	0.8302	0.9188
uridine	1.0388	1.5365	1.2259	1.1517	0.6542	1.3845	1.7998	1.6614	1.3370	1.6105	1.1226	1.1356	0.8877	0.7411	0.5558	0.8830	0.8315	0.4072	1.3153	1.0017	1.0913	0.8796	0.6773	0.8225	0.8569	0.7202
valine	0.9088	1.0958	0.9961	1.0408	1.1551	0.9849	1.1458	1.1683	1.0268	1.1288	1.0164	1.1514	0.8713	0.9534	0.9449	0.9499	0.9951	0.9481	0.6887	0.8177	1.1756	1.1064	0.9873	1.0186	1.0501	1.1420
xanthine	0.6898	0.7967	0.9091	0.7424	0.4599	0.6315	1.0979	1.6128	0.5360	0.8137	0.7227	0.7211	0.6893	1.1804	1.1464	1.6341	1.3679	1.4962	1.4233	2.1666	1.1853	1.1173	1.0622	1.1197	1.0680	1.1825
xylitol	0.4551	0.9897	1.7324	0.7427	0.5214	2.4889	0.4927	0.5887	0.8258	1.2956	0.7507	0.7227	0.7763	0.5212	0.8042	1.9058	0.6014	0.5685	0.8680	2.3095	0.3664	0.2274	0.5930	1.2091	0.8380	0.6256
xylose	0.5825	0.7217	0.7808	1.9459	1.1877	0.6448	0.4140	0.4072	0.6136	0.6736	1.8894	1.0867	0.6570	0.5667	0.3470	0.7811	0.4792	2.1922	0.4819	0.3360	0.4242	0.5599	1.3189	0.9213	1.8817	0.9623

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