Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Study1 Investigation of metabolomic blood biomarkers for detection of adenocarcinoma lung cancer (training set) (Study ST000385)

GC POSITIVE ION MODE (Analysis AN000620)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17
salicylic acid	ME133378	0.05	0.02	0.08	0.05	4.39	0.05	0.50	0.08	0.09	0.05	0.16	0.09	10.76	0.09	0.49	0.15	1.58
2-hydroxyvaleric acid	ME133495	4.10	0.30	0.37	0.38	0.33	0.28	0.32	0.27	7.47	0.60	0.73	0.70	0.49	0.58	0.64	0.65	0.65
quinic acid	ME133381	0.19	0.37	0.34	0.33	1.30	1.00	0.37	0.29	0.36	0.88	5.41	0.72	1.42	1.83	0.72	0.56	0.47
sucrose	ME133373	0.24	0.22	0.27	0.25	1.98	0.23	0.30	0.31	0.45	0.49	6.66	0.38	1.83	0.48	0.31	0.56	0.51
naproxen	ME133402	0.04	0.04	0.91	0.08	0.11	1.47	0.46	1.99	0.10	0.08	1.53	0.14	0.09	3.14	0.89	4.23	0.59
adenosine-5-phosphate	ME133485	1.31	1.13	1.75	1.75	1.41	0.56	0.59	1.51	0.64	0.65	0.63	0.63	1.30	1.00	0.59	0.50	0.91
pyrophosphate	ME133383	1.94	1.25	1.79	2.11	0.57	0.52	0.71	1.53	0.46	0.45	0.52	0.58	0.53	0.55	0.52	0.66	1.33
pyruvic acid	ME133382	2.50	1.37	2.12	1.87	0.61	0.46	0.81	0.94	0.34	0.24	0.26	0.59	0.20	0.19	0.18	0.24	2.39
N-acetylglucosamine	ME133507	1.73	1.94	1.73	1.86	1.85	1.95	1.74	1.85	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.01	1.77
nicotinic acid	ME133401	2.42	1.11	1.44	1.76	1.60	1.06	1.19	1.26	0.38	0.40	0.33	0.38	0.41	0.39	0.37	0.39	1.60
oxalic acid	ME133397	2.35	1.32	1.55	1.92	1.77	1.31	1.31	1.45	0.20	0.13	0.17	0.15	0.21	0.16	0.24	0.19	1.82
paracetamol	ME133392	0.78	0.83	1.16	0.35	0.42	1.88	0.29	0.49	1.30	1.78	1.93	0.75	0.71	4.14	0.59	0.97	0.64
pipecolic acid	ME133386	0.17	0.85	0.33	0.30	0.38	2.14	0.38	0.67	0.65	3.25	0.92	1.08	0.85	4.78	0.88	1.97	0.53
3-aminoisobutyric acid	ME133493	0.45	0.45	0.38	2.23	0.51	0.37	0.38	0.43	0.90	1.18	0.93	4.13	0.82	1.09	0.78	0.72	0.73
aspartic acid	ME133475	0.26	0.28	0.27	0.28	0.20	0.19	0.24	0.34	2.79	2.30	3.86	2.06	0.90	0.92	0.85	1.04	0.26
malate	ME133415	0.63	0.59	0.69	0.63	1.13	0.52	0.80	0.63	1.07	1.15	3.39	1.09	0.67	0.88	0.85	1.01	0.62
saccharic acid	ME133379	0.68	0.38	0.60	0.64	0.87	0.57	0.58	0.47	1.14	0.70	3.99	1.11	1.19	0.96	0.80	0.77	0.65
inosine	ME133430	0.30	0.32	0.28	0.29	0.34	0.33	0.31	0.34	0.81	2.84	0.97	1.62	2.99	1.83	2.66	1.77	0.32
maleimide	ME133414	0.41	0.18	0.20	0.18	0.23	0.28	0.24	0.18	1.98	2.40	2.05	1.83	1.67	2.19	1.75	2.05	0.18
azelaic acid	ME133474	0.18	0.17	0.16	0.18	0.17	0.14	0.16	0.16	1.94	1.45	2.32	1.48	1.58	1.39	1.75	3.40	0.17
shikimic acid	ME133376	0.15	0.16	0.13	0.29	0.17	0.27	0.19	0.22	2.30	1.74	1.81	1.70	1.80	1.77	1.59	2.81	0.31
indole-3-acetate	ME133432	0.39	1.60	0.45	0.65	0.59	1.15	0.63	0.63	0.80	3.06	0.89	1.31	1.13	2.40	1.39	1.34	0.67
2-hydroxyhippuric acid	ME133496	0.63	0.54	0.61	0.45	1.33	0.55	0.97	0.50	1.01	1.06	0.90	1.01	3.51	1.15	1.03	1.05	1.15
5-hydroxynorvaline NIST	ME133489	0.39	0.49	0.61	0.43	0.92	1.06	0.62	0.50	1.00	0.95	1.18	1.12	2.67	2.47	1.28	1.16	0.94
3-phosphoglycerate	ME133491	0.59	0.96	0.70	0.72	0.43	1.08	0.80	1.51	0.60	1.41	0.59	1.04	0.62	2.08	1.20	2.27	0.71
phenylethylamine	ME133388	0.43	0.64	0.49	0.62	0.41	1.29	0.45	0.72	1.24	1.58	1.26	1.66	1.02	2.97	1.15	1.86	0.41
alpha ketoglutaric acid	ME133482	1.45	1.20	1.32	1.26	1.05	0.71	1.12	1.07	0.73	0.40	0.60	0.89	0.58	0.61	0.57	0.59	1.84
arachidic acid	ME133478	1.22	1.16	1.10	1.32	1.21	1.20	1.45	1.07	0.73	0.76	0.74	0.75	0.72	0.70	0.67	0.59	1.35
maltotriose	ME133412	1.24	0.66	0.70	1.47	0.58	0.52	0.68	1.05	1.14	1.07	1.21	1.34	0.85	1.18	0.82	1.09	1.04
parabanic acid NIST	ME133393	1.30	0.69	0.78	1.12	0.97	0.76	0.83	0.79	1.00	0.94	1.06	1.14	1.07	0.98	1.12	1.00	1.18
2-ketoisocaproic acid	ME133494	0.88	1.26	0.94	0.96	0.78	0.89	1.01	0.97	0.99	1.66	0.93	1.18	0.78	1.11	0.94	1.00	1.05
uridine	ME133360	0.90	1.01	0.92	1.01	1.01	0.95	1.03	0.92	1.04	1.36	0.89	1.18	0.97	1.35	1.05	0.96	0.88
glycerol-3-galactoside	ME133440	1.08	1.03	1.09	1.07	1.14	0.82	1.07	1.08	0.64	0.61	0.70	1.32	0.70	0.91	0.99	1.32	0.99
citric acid	ME133464	0.99	0.76	0.91	0.99	0.79	0.97	1.23	0.97	1.10	0.85	0.90	1.16	0.79	1.12	1.17	1.06	1.00
isocitric acid	ME133428	0.98	0.83	1.05	1.29	0.69	1.04	1.31	1.03	0.96	0.79	0.77	1.12	0.70	1.04	1.00	0.97	1.06
threonic acid	ME133369	0.57	0.26	0.53	0.36	0.79	0.36	1.06	0.59	1.67	0.66	1.62	1.04	1.99	0.88	2.44	1.42	0.43
pimelic acid	ME133387	0.78	0.50	0.36	0.46	0.34	0.31	0.32	0.40	2.16	1.87	1.71	1.63	1.10	1.35	1.28	2.23	0.53
glutamic acid	ME133445	0.67	0.73	0.64	0.63	0.35	0.57	0.50	0.60	1.94	2.07	2.31	1.62	0.74	1.28	1.04	1.11	0.57
taurine	ME133371	0.46	0.37	0.56	0.45	0.20	0.21	0.29	0.46	2.20	1.92	2.31	1.88	1.35	1.53	1.41	1.34	0.38
maltose	ME133413	1.15	0.31	0.64	1.33	0.53	0.42	0.70	0.80	1.39	1.09	1.89	2.12	0.55	0.74	0.81	0.95	0.80
1-monoolein	ME133505	0.85	0.76	0.52	0.77	0.38	0.38	0.51	0.71	2.13	0.80	1.30	2.05	1.00	0.78	1.16	1.57	0.88
5-methoxytryptamine	ME133488	0.77	0.57	0.73	0.99	0.42	0.33	0.43	0.97	1.24	1.53	0.93	1.40	0.87	1.16	1.46	1.43	1.26
ethanolamine	ME133454	0.83	0.71	0.62	0.95	0.45	0.44	0.48	0.62	1.55	1.62	1.19	1.70	0.67	0.72	1.08	1.07	1.64
conduritol beta epoxide	ME133462	0.62	0.48	0.60	0.59	0.52	0.64	1.07	0.45	1.14	1.00	2.72	1.23	0.74	1.32	1.90	0.81	0.62
inulobiose	ME133429	0.54	0.46	0.89	0.74	0.62	0.72	1.90	0.53	0.78	0.96	1.80	1.37	1.07	1.47	0.91	1.08	0.71
mannitol	ME133411	0.50	0.37	0.94	0.72	0.40	0.82	1.30	0.51	1.08	0.95	1.67	1.50	0.77	1.55	1.45	1.07	0.83
lignoceric acid	ME133419	0.97	0.51	0.75	0.85	0.77	1.68	0.59	0.57	1.23	0.86	1.03	1.14	1.88	1.12	1.15	1.04	1.15
gamma-tocopherol	ME133449	0.78	1.23	0.67	0.95	0.53	0.86	0.57	0.84	1.30	1.95	1.06	1.61	0.99	1.58	0.93	1.32	0.73
levoglucosan	ME133420	0.49	0.98	0.60	0.87	0.65	0.58	0.42	1.06	0.83	1.99	1.04	1.72	1.13	1.17	0.81	2.15	0.74
3-hydroxybutanoic acid	ME133492	0.27	1.15	0.78	1.02	0.31	0.55	0.86	0.54	0.51	2.33	1.40	2.19	0.58	1.17	1.65	1.06	0.73
2-hydroxybutanoic acid	ME133498	0.56	0.96	0.76	0.75	0.57	0.44	0.85	0.49	1.19	2.18	1.52	1.65	0.86	1.05	1.64	1.13	0.68
beta alanine	ME133470	0.46	0.65	0.48	0.69	0.45	0.56	0.71	0.66	1.52	1.91	1.37	2.05	0.93	1.38	1.51	1.43	0.57
xylitol	ME133357	0.79	0.66	0.61	0.58	0.82	0.99	0.46	1.43	1.47	1.25	1.21	0.98	1.76	2.13	0.85	1.22	0.68
arachidonic acid	ME133477	0.45	0.41	0.50	0.39	0.49	0.50	0.74	0.58	1.59	1.52	1.44	1.49	1.91	1.54	2.14	1.75	0.11
glycerol-alpha-phosphate	ME133439	0.31	0.23	0.36	0.23	0.31	0.35	0.48	0.32	1.87	1.46	1.78	1.54	2.18	1.96	2.35	1.83	0.07
fructose	ME133453	0.36	0.64	0.49	0.46	0.60	0.71	0.78	0.72	0.90	1.65	1.28	1.47	1.86	1.84	1.87	2.02	0.11
tagatose	ME133372	0.44	0.53	0.39	0.41	0.43	0.59	0.57	0.62	1.07	1.48	1.21	1.75	2.04	1.84	1.90	2.04	0.28
2-hydroxyglutaric acid	ME133497	0.44	0.41	0.44	0.41	0.39	0.57	0.47	0.39	1.50	1.89	1.49	1.48	1.62	2.25	1.81	2.04	0.29
adipic acid	ME133484	0.54	0.49	0.47	0.52	0.64	0.80	0.48	0.46	1.33	1.52	1.47	1.25	1.40	1.66	1.58	2.17	0.59
glutaric acid	ME133443	0.53	0.42	0.52	0.38	0.61	0.51	0.51	0.45	1.58	1.15	1.57	1.60	1.61	1.85	1.44	1.96	0.55
2-deoxyerythritol	ME133500	0.75	0.64	0.86	0.68	0.76	1.39	1.05	0.76	1.03	1.08	1.09	1.08	1.04	2.08	1.48	1.13	0.69
trans-4-hydroxyproline	ME133365	1.12	0.67	0.64	0.67	0.51	0.97	0.64	0.80	2.00	0.97	0.98	1.39	0.95	1.83	1.14	1.44	0.78
creatinine	ME133461	0.40	0.43	0.49	0.77	0.47	0.42	0.61	0.55	1.43	1.15	1.10	2.40	1.58	1.38	1.71	1.44	0.60
palmitoleic acid	ME133394	1.04	0.68	0.94	0.57	0.91	0.81	0.79	0.28	1.59	1.37	1.38	1.12	1.66	1.71	1.71	0.54	0.73
erythritol	ME133456	0.61	0.95	1.20	0.70	0.47	0.60	0.61	0.59	1.03	1.79	2.03	1.26	0.88	1.20	1.07	1.13	0.81
hippuric acid	ME133435	1.17	0.71	0.95	0.76	0.53	0.48	0.52	0.59	1.65	1.44	1.64	1.12	1.05	1.00	1.04	1.05	1.13
lactamide	ME133424	0.86	0.69	0.82	0.89	0.61	0.33	0.47	0.50	1.38	1.57	1.67	1.74	1.50	1.11	1.00	1.17	0.77
lactic acid	ME133423	0.80	0.65	0.93	0.79	0.57	0.28	0.37	0.51	1.66	1.57	1.76	1.92	1.53	0.94	0.99	1.07	0.69
glucuronic acid	ME133446	0.64	0.37	0.42	0.64	0.81	0.78	0.60	0.79	1.27	1.03	0.84	1.70	2.00	2.06	1.20	1.78	0.63
indole-3-lactate	ME133431	0.56	0.67	0.63	0.79	1.02	0.82	0.64	0.61	1.05	1.24	1.05	1.65	2.07	1.70	1.20	1.16	0.75
ornithine	ME133398	0.74	0.46	0.71	0.56	0.46	0.51	0.58	0.49	2.06	1.34	1.90	1.51	1.18	1.34	1.36	1.21	0.67
asparagine	ME133476	0.41	0.44	0.51	0.43	0.64	0.67	0.55	0.51	1.68	1.51	1.80	1.56	1.77	1.69	1.53	1.33	0.51
xanthine	ME133358	0.59	0.54	0.58	0.63	0.49	0.55	0.51	0.48	1.73	1.41	1.90	1.57	1.53	1.48	1.36	1.38	0.54
aminomalonic acid	ME133481	1.10	0.49	0.72	0.63	0.93	0.76	0.83	0.76	1.56	0.93	1.23	0.99	1.68	1.24	1.28	1.20	0.86
2,3-dihydroxybutanoic acid NIST	ME133501	0.82	0.67	0.71	0.93	0.86	0.68	0.83	0.58	1.10	1.21	1.10	1.89	1.50	1.04	1.50	1.11	0.62
2-deoxytetronic acid NIST	ME133499	0.52	0.73	0.72	0.92	0.50	0.73	0.83	0.66	0.89	1.55	1.24	1.87	0.84	1.37	1.38	1.49	0.72
gluconic acid	ME133448	0.55	0.45	0.69	0.95	0.67	0.62	0.99	0.75	1.12	1.05	1.13	2.09	1.06	1.19	1.27	1.36	0.69
myo-inositol	ME133406	0.68	0.43	0.72	0.87	0.51	0.71	0.80	0.60	1.34	1.02	1.50	1.82	0.97	1.51	1.44	1.11	0.74
isothreonic acid	ME133426	0.58	0.45	0.63	0.67	0.69	0.63	0.94	0.68	1.07	1.08	1.29	1.53	1.65	1.43	1.87	1.46	0.42
glyceric acid	ME133442	0.80	0.46	0.68	0.58	0.65	0.59	0.89	0.68	1.42	1.18	1.41	1.26	1.54	1.21	1.95	1.42	0.40
linoleic acid	ME133418	0.63	0.56	0.75	0.54	0.59	0.60	0.90	0.50	1.35	1.28	1.50	1.34	1.51	1.38	2.05	1.22	0.49
glycerol	ME133441	0.80	0.61	0.81	0.62	0.79	0.73	1.09	0.55	1.28	1.09	1.38	1.25	1.33	1.47	1.66	1.01	0.69
N-acetylglycine NIST	ME133403	0.81	0.50	0.77	0.69	0.77	0.80	0.97	0.64	1.35	0.92	1.39	1.11	1.55	1.54	1.47	1.13	0.74
oleic acid	ME133399	0.72	0.64	0.86	0.66	0.75	0.57	0.98	0.40	1.24	1.24	1.43	1.36	1.52	1.25	1.97	0.82	0.70
tocopherol alpha	ME133366	0.80	0.54	0.85	0.66	0.78	0.53	1.09	0.65	1.31	0.88	1.21	1.20	1.52	1.02	1.85	1.08	0.78
1,5-anhydroglucitol	ME133506	0.73	0.61	0.61	0.51	0.68	0.87	0.62	0.80	1.35	1.40	1.32	1.06	1.53	1.91	1.21	1.75	0.65
beta-mannosylglycerate	ME133468	0.89	0.70	0.81	0.56	0.68	0.97	0.62	0.95	1.48	1.24	1.09	1.02	1.31	1.52	1.03	1.59	0.88
proline	ME133385	0.39	0.61	0.64	0.48	0.45	0.72	0.58	0.70	1.27	1.84	1.67	1.38	1.13	1.75	1.39	1.76	0.60
serine	ME133377	0.47	0.54	0.67	0.51	0.54	0.50	0.65	0.55	1.55	1.96	2.07	1.40	1.34	1.18	1.33	1.31	0.61
capric acid	ME133467	0.63	0.66	0.70	0.66	0.68	0.70	0.64	0.60	1.27	1.61	1.46	1.36	1.47	1.27	1.40	1.31	0.81
methionine	ME133409	0.50	0.67	0.72	0.55	0.67	0.59	0.65	0.78	1.27	1.82	1.54	1.37	1.41	1.28	1.25	1.43	0.74
cysteine	ME133460	0.48	0.71	0.74	0.60	0.67	0.51	0.75	0.77	1.17	1.81	1.33	1.39	1.70	1.30	1.38	1.32	0.70
dihydro-3-coumaric acid	ME133457	0.49	0.66	0.56	0.56	0.59	0.49	0.64	0.71	1.27	1.73	1.48	1.53	1.58	1.28	1.55	1.46	0.68
fumaric acid	ME133450	0.62	0.79	0.80	0.70	0.57	0.50	0.71	0.65	1.44	1.52	1.52	1.52	1.03	1.39	1.35	1.40	0.65
phenylalanine	ME133389	0.62	0.60	0.66	0.64	0.52	0.65	0.72	0.62	1.53	1.46	1.64	1.57	1.08	1.41	1.44	1.30	0.66
isoleucine	ME133427	0.62	0.78	0.76	0.74	0.56	0.66	0.78	0.68	1.22	1.69	1.41	1.49	1.04	1.34	1.40	1.31	0.72
N-methylalanine	ME133400	0.54	0.71	0.77	0.62	0.53	0.55	0.81	0.65	1.31	1.68	1.51	1.46	1.06	1.15	1.63	1.39	0.67
leucine	ME133421	0.53	0.73	0.76	0.61	0.58	0.58	0.73	0.69	1.20	1.89	1.62	1.38	1.20	1.14	1.50	1.38	0.66
valine	ME133359	0.54	0.70	0.71	0.60	0.60	0.57	0.71	0.69	1.30	1.78	1.49	1.44	1.28	1.20	1.46	1.47	0.66
histidine	ME133434	0.62	0.53	0.57	0.64	0.67	0.62	0.78	0.70	1.84	1.19	1.17	1.47	1.19	1.23	1.33	1.42	0.96
linolenic acid	ME133417	0.53	0.38	0.53	0.66	0.60	0.70	1.01	0.49	1.37	1.52	1.10	1.59	1.72	1.80	1.52	1.59	0.48
erythrose	ME133455	0.55	0.48	0.49	0.56	0.56	0.70	0.73	0.53	1.27	1.12	1.54	1.62	1.55	1.65	1.74	1.73	0.40
methionine sulfoxide	ME133408	0.59	0.48	0.56	0.58	0.60	0.59	0.73	0.61	1.26	1.30	1.55	1.45	1.57	1.92	1.73	1.43	0.45
ribose	ME133380	0.70	0.64	0.65	0.59	0.81	0.64	0.82	0.78	1.26	0.93	1.28	1.51	1.26	1.88	1.42	1.41	0.64
cystine	ME133458	0.38	0.58	0.54	0.60	0.56	0.58	0.77	0.70	1.21	1.33	1.28	1.53	1.37	1.64	1.84	1.54	0.66
threose	ME133367	0.54	0.63	0.63	0.52	0.62	0.59	0.73	0.64	1.38	1.46	1.24	1.51	1.41	1.68	1.62	1.50	0.65
beta-glycerolphosphate	ME133469	0.68	0.57	0.65	0.75	0.60	0.79	0.73	0.61	1.37	1.26	1.25	1.55	1.41	1.76	1.41	1.44	0.60
uric acid	ME133361	0.60	0.60	0.67	0.69	0.57	0.77	0.83	0.77	1.26	1.28	1.20	1.47	1.15	1.70	1.52	1.56	0.60
glycine	ME133438	0.73	0.41	0.61	0.48	0.70	0.61	0.64	0.62	1.82	1.11	1.59	1.23	1.75	1.46	1.38	1.36	0.71
succinic acid	ME133374	0.75	0.60	0.56	0.52	0.63	0.55	0.57	0.50	1.65	1.37	1.50	1.31	1.80	1.59	1.47	1.51	0.61
alanine	ME133483	0.58	0.58	0.63	0.49	0.61	0.52	0.62	0.68	1.63	1.56	1.53	1.37	1.54	1.26	1.42	1.55	0.65
lysine	ME133416	0.59	0.55	0.63	0.61	0.61	0.54	0.76	0.65	1.52	1.38	1.43	1.43	1.38	1.30	1.58	1.41	0.70
tryptophan	ME133364	0.57	0.66	0.59	0.61	0.62	0.58	0.75	0.62	1.56	1.63	1.27	1.47	1.43	1.43	1.61	1.38	0.64
4-hydroxyproline	ME133490	0.81	0.60	0.73	0.57	0.70	0.67	0.74	0.67	1.68	1.41	1.42	1.36	1.54	1.41	1.27	1.50	0.45
threonine	ME133368	0.72	0.57	0.70	0.67	0.83	0.57	0.72	0.55	1.46	1.34	1.38	1.47	1.78	1.22	1.44	1.11	0.72
1-monopalmitin	ME133504	0.66	0.52	0.61	0.56	0.83	0.64	0.78	0.55	1.43	1.46	1.36	1.43	1.61	1.34	1.52	1.37	0.67
oxoproline	ME133396	0.75	0.66	0.77	0.56	0.79	0.67	0.74	0.65	1.49	1.44	1.41	1.27	1.71	1.43	1.44	1.30	0.50
glutamine	ME133444	0.53	0.60	0.53	0.60	0.94	0.92	0.89	0.76	1.35	0.96	0.96	1.24	1.78	1.61	1.61	1.50	0.67
methanolphosphate	ME133410	0.50	0.62	0.74	0.63	0.73	0.82	0.68	0.67	1.23	1.49	1.21	1.49	1.63	1.67	1.51	1.18	0.70
citrulline	ME133463	0.56	0.58	0.53	0.60	0.83	0.78	0.72	0.63	1.48	1.28	1.07	1.44	1.83	1.59	1.51	1.36	0.73
phenylacetic acid	ME133390	0.55	0.48	0.60	0.64	0.86	0.72	0.66	0.67	1.42	1.23	1.25	1.39	1.77	1.33	1.42	1.45	0.76
hydroxylamine	ME133433	0.64	0.66	0.51	0.66	0.58	0.61	0.60	0.63	1.59	1.23	1.31	1.70	1.44	1.36	1.38	1.67	0.64
kynurenine	ME133425	0.66	0.70	0.72	0.77	0.55	0.67	0.70	0.69	1.31	1.45	1.13	1.47	1.23	1.53	1.13	1.73	0.77
xylose	ME133356	0.62	0.56	0.57	0.74	0.48	0.70	0.67	0.96	1.22	1.18	1.19	1.63	1.26	1.55	1.27	1.84	0.59
rhamnose	ME133451	0.66	0.71	0.65	0.80	0.47	0.86	0.61	0.80	1.23	1.39	1.22	1.72	0.87	1.83	1.26	1.56	0.68
arabitol	ME133479	0.71	0.50	0.67	0.90	0.65	1.07	0.80	0.56	1.32	1.37	1.15	1.81	1.15	1.61	1.09	1.29	0.72
pseudo uridine	ME133384	0.69	0.62	0.64	0.92	0.70	0.85	0.77	0.72	1.20	1.16	1.06	1.74	1.31	1.71	1.22	1.30	0.71
threitol	ME133370	0.78	0.50	0.71	0.80	0.70	0.79	0.81	0.72	1.29	1.03	1.21	1.58	1.23	1.60	1.23	1.32	0.77
1-monostearin	ME133503	0.74	0.69	0.78	0.73	0.61	0.85	1.22	0.80	1.17	1.16	1.14	1.20	1.39	1.29	1.42	1.32	0.64
heptadecanoic acid NIST	ME133436	0.67	0.76	0.83	0.73	0.83	0.78	1.14	0.83	1.03	0.96	1.08	1.29	1.20	1.23	1.28	1.47	0.78
aconitic acid	ME133486	0.81	0.64	0.74	0.91	0.64	0.92	0.96	0.79	1.26	0.88	1.02	1.33	1.16	1.29	1.38	1.35	0.83
urea	ME133362	0.86	0.76	0.83	0.86	0.68	0.86	0.84	0.83	1.25	1.05	1.13	1.21	0.91	1.56	1.24	1.47	0.78
lauric acid	ME133422	0.92	0.78	0.87	0.72	0.68	0.67	0.64	0.59	1.43	1.51	1.41	1.40	1.18	1.27	1.16	1.11	0.89
cysteine-glycine	ME133459	0.76	0.67	0.92	0.84	0.74	0.58	0.74	0.63	1.41	1.31	1.21	1.29	1.52	1.31	1.19	1.18	0.84
N-acetylglutamate	ME133404	0.94	0.69	0.83	0.73	0.69	0.61	0.68	0.61	1.54	1.37	1.10	1.33	1.52	1.23	1.29	1.16	0.93
2,3,5-trihydroxypyrazine NIST	ME133502	0.89	0.99	0.88	0.79	0.66	0.80	0.73	0.87	1.24	1.36	1.15	1.18	1.22	1.43	1.10	1.31	0.80
glucose	ME133447	0.65	0.75	0.73	0.72	0.74	0.71	0.80	0.85	1.04	1.36	1.14	1.31	1.17	1.33	1.39	1.44	0.89
behenic acid	ME133473	0.58	0.90	0.70	0.55	0.97	0.89	0.71	0.69	1.31	1.21	1.23	1.46	1.56	1.54	1.19	1.25	0.80
cholesterol	ME133465	0.74	0.86	0.73	0.74	0.83	0.81	0.76	0.73	1.14	1.26	1.13	1.25	1.63	1.33	1.28	1.27	0.85
arabinose	ME133480	0.85	0.66	0.80	0.75	0.65	0.82	0.75	0.68	1.05	1.47	1.52	1.32	1.23	1.68	1.29	1.30	0.58
glycolic acid	ME133437	0.84	0.72	0.81	0.75	0.73	0.70	0.86	0.91	1.20	1.21	1.20	1.28	1.29	1.37	1.44	1.37	0.56
acetophenone NIST	ME133487	0.71	0.78	0.87	0.76	0.74	0.86	0.81	0.79	1.33	1.15	1.24	1.23	1.47	1.62	1.42	1.22	0.50
caprylic acid	ME133466	0.70	0.76	0.76	0.68	0.85	0.90	0.81	0.82	1.22	1.20	1.27	1.25	1.47	1.49	1.49	1.40	0.44
myristic acid	ME133405	0.84	0.64	0.86	0.65	0.80	0.72	0.83	0.53	1.36	1.21	1.41	1.30	1.35	1.39	1.40	1.06	0.81
palmitic acid	ME133395	0.75	0.67	0.80	0.64	0.68	0.69	0.85	0.58	1.37	1.32	1.41	1.33	1.41	1.38	1.54	1.14	0.68
methylhexadecanoic acid	ME133407	0.76	0.67	0.79	0.65	0.69	0.65	0.85	0.62	1.40	1.27	1.36	1.39	1.41	1.22	1.43	1.26	0.70
stearic acid	ME133375	0.80	0.74	0.81	0.69	0.72	0.72	0.88	0.67	1.31	1.35	1.31	1.33	1.31	1.26	1.36	1.19	0.76
benzoic acid	ME133472	0.66	0.62	0.70	0.69	0.71	0.80	0.71	0.70	1.19	1.13	1.49	1.36	1.26	1.45	1.34	1.32	0.85
tyrosine	ME133363	0.66	0.71	0.72	0.67	0.52	0.68	0.84	0.66	1.36	1.40	1.33	1.46	1.19	1.50	1.57	1.28	0.69
benzylalcohol	ME133471	0.72	0.78	0.72	0.72	0.71	0.77	0.70	0.74	1.33	1.39	1.19	1.38	1.42	1.43	1.29	1.35	0.75
fucose	ME133452	0.64	0.67	0.65	0.67	0.68	0.76	0.66	0.73	1.28	1.32	1.38	1.50	1.26	1.47	1.38	1.46	0.70
pelargonic acid	ME133391	0.65	0.64	0.68	0.68	0.69	0.76	0.65	0.68	1.39	1.39	1.28	1.48	1.37	1.34	1.48	1.41	0.68

Factors:

F1	Organ:Plasma \| Health State:Adenocarcinoma \| Smoking Status:Current \| Gender:F
F2	Organ:Plasma \| Health State:Adenocarcinoma \| Smoking Status:Current \| Gender:M
F3	Organ:Plasma \| Health State:Adenocarcinoma \| Smoking Status:Former \| Gender:F
F4	Organ:Plasma \| Health State:Adenocarcinoma \| Smoking Status:Former \| Gender:M
F5	Organ:Plasma \| Health State:Healthy \| Smoking Status:Current \| Gender:F
F6	Organ:Plasma \| Health State:Healthy \| Smoking Status:Current \| Gender:M
F7	Organ:Plasma \| Health State:Healthy \| Smoking Status:Former \| Gender:F
F8	Organ:Plasma \| Health State:Healthy \| Smoking Status:Former \| Gender:M
F9	Organ:Serum \| Health State:Adenocarcinoma \| Smoking Status:Current \| Gender:F
F10	Organ:Serum \| Health State:Adenocarcinoma \| Smoking Status:Current \| Gender:M
F11	Organ:Serum \| Health State:Adenocarcinoma \| Smoking Status:Former \| Gender:F
F12	Organ:Serum \| Health State:Adenocarcinoma \| Smoking Status:Former \| Gender:M
F13	Organ:Serum \| Health State:Healthy \| Smoking Status:Current \| Gender:F
F14	Organ:Serum \| Health State:Healthy \| Smoking Status:Current \| Gender:M
F15	Organ:Serum \| Health State:Healthy \| Smoking Status:Former \| Gender:F
F16	Organ:Serum \| Health State:Healthy \| Smoking Status:Former \| Gender:M
F17	Organ:Serum or Plasma \| Health State:NA \| Smoking Status:NA \| Gender:NA

Data matrix