Metabolomics Workbench : NIH Data Repository

Analysis	Metabolite Name	Measured Value	Units	Age Group	Sex	Smoking Status	Diagnosis
GC POSITIVE ION MODE	pelargonic acid	480	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	1891	Counts	65-69	Female	Former	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	1987	Counts	65-69	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	2076	Counts	60-64	Male	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	2159	Counts	70-74	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	2163	Counts	65-69	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	2169	Counts	65-69	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	2183	Counts	50-54	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	2199	Counts	60-64	Male	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	2265	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	2395	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	2407	Counts	55-59	Male	Current	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	2439	Counts	55-59	Male	Former	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	2553	Counts	65-69	Male	Current	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	2604	Counts	50-54	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	2775	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	2801	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	2850	Counts	55-59	Female	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	2942	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	2951	Counts	65-69	Male	Former	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	3180	Counts	55-59	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	3238	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	3289	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	3368	Counts	65-69	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	3485	Counts	60-64	Male	Former	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	3550	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	3710	Counts	65-69	Male	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	4013	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	4039	Counts	50-54	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	4293	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	4309	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	4506	Counts	65-69	Male	Former	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	4659	Counts	50-54	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	4664	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	4717	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	4765	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	4822	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	4879	Counts	60-64	Male	Former	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	4884	Counts	50-54	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	5021	Counts	50-54	Male	Current	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	5136	Counts	65-69	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	5144	Counts	50-54	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	5156	Counts	60-64	Male	Current	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	5176	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	5208	Counts	60-64	Male	Former	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	5229	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	5230	Counts	50-54	Male	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	5253	Counts	50-54	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	5330	Counts	45-49	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	5362	Counts	50-54	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	5414	Counts	60-64	Male	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	5419	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	5578	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	5611	Counts	60-64	Male	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	5636	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	5656	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	5768	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	5769	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	5783	Counts	65-69	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	5819	Counts	65-69	Male	Current	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	5822	Counts	50-54	Male	Current	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	5840	Counts	55-59	Male	Former	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	5854	Counts	70-74	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	5886	Counts	50-54	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	5921	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	5977	Counts	60-64	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	6038	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	6091	Counts	50-54	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	6142	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	6156	Counts	55-59	Female	Current	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	6201	Counts	60-64	Female	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	6308	Counts	65-69	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	6315	Counts	55-59	Male	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	6357	Counts	50-54	Female	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	6363	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	6372	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	6375	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	6395	Counts	60-64	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	6415	Counts	70-74	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	6421	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	6502	Counts	70-74	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	6612	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	6613	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	6618	Counts	65-69	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	6631	Counts	55-59	Female	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	6668	Counts	65-69	Female	Current	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	6676	Counts	55-59	Male	Former	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	6688	Counts	50-54	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	6706	Counts	50-54	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	6745	Counts	60-64	Female	Former	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	6745	Counts	65-69	Male	Former	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	6808	Counts	55-59	Male	Current	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	6885	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	6894	Counts	60-64	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	6898	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	6901	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	6955	Counts	45-49	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	6971	Counts	65-69	Male	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	7026	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	7031	Counts	55-59	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	7041	Counts	55-59	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	7091	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7101	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	7104	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	7133	Counts	55-59	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	7139	Counts	65-69	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7181	Counts	50-54	Female	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	7183	Counts	60-64	Male	Former	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	7230	Counts	55-59	Male	Former	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	7245	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7255	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	7271	Counts	60-64	Male	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	7273	Counts	65-69	Male	Former	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	7282	Counts	50-54	Female	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	7293	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	7347	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7368	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7394	Counts	65-69	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7462	Counts	50-54	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	7487	Counts	60-64	Male	Former	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	7494	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	7557	Counts	55-59	Male	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	7604	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7611	Counts	60-64	Male	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	7621	Counts	60-64	Male	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	7625	Counts	50-54	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	7641	Counts	55-59	Female	Current	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	7665	Counts	60-64	Male	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	7666	Counts	65-69	Female	Former	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	7686	Counts	65-69	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7687	Counts	65-69	Female	Former	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	7732	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7741	Counts	65-69	Female	Former	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	7744	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	7763	Counts	65-69	Male	Former	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	7767	Counts	65-69	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	7770	Counts	65-69	Male	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	7788	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7806	Counts	65-69	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7809	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	7836	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	7852	Counts	65-69	Male	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	7856	Counts	60-64	Male	Former	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	7872	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7875	Counts	60-64	Male	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	7891	Counts	50-54	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	7924	Counts	50-54	Female	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	7926	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	7927	Counts	60-64	Male	Former	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	7942	Counts	50-54	Female	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	7978	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	8021	Counts	60-64	Male	Former	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	8036	Counts	60-64	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	8040	Counts	50-54	Male	Former	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	8050	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8091	Counts	55-59	Female	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	8092	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8099	Counts	50-54	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	8104	Counts	65-69	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	8128	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	8148	Counts	50-54	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8150	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8154	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	8162	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	8185	Counts	65-69	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	8186	Counts	55-59	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	8191	Counts	60-64	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	8219	Counts	55-59	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	8226	Counts	50-54	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	8242	Counts	65-69	Male	Former	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	8254	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8309	Counts	60-64	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	8352	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8358	Counts	70-74	Male	Former	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	8431	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8459	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8493	Counts	50-54	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	8548	Counts	65-69	Female	Former	-
GC POSITIVE ION MODE	pelargonic acid	8556	Counts	50-54	Male	Current	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	8576	Counts	55-59	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	8585	Counts	65-69	Male	Former	-
GC POSITIVE ION MODE	pelargonic acid	8632	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8714	Counts	65-69	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	8751	Counts	65-69	Female	Former	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	8753	Counts	50-54	Female	Former	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	8759	Counts	55-59	Male	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	8793	Counts	65-69	Male	Current	Adenocarcinoma
GC POSITIVE ION MODE	pelargonic acid	8813	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8838	Counts	65-69	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8872	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8896	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8934	Counts	50-54	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	8934	Counts	65-69	Male	Current	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	8936	Counts	60-64	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8943	Counts	60-64	Female	Current	-
GC POSITIVE ION MODE	pelargonic acid	8959	Counts	50-54	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	8981	Counts	65-69	Male	Current	Other NSCLC
GC POSITIVE ION MODE	pelargonic acid	9123	Counts	70-74	Male	Former	Squamous cell
GC POSITIVE ION MODE	pelargonic acid	9175	Counts	55-59	Male	Current	-
GC POSITIVE ION MODE	pelargonic acid	9237	Counts	55-59	Male	Former	-

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