Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Microbial ecology of nontuberculous mycobacteria (NTM) in cystic fibrosis (CF) sputum (Study ST000711)

Reversed phase NEGATIVE ION MODE (Analysis AN001110)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
3-METHYL-2-OXOPENTANOIC ACID (M-H)-	ME201002	2.57	0.73	0.73	0.90	0.80	1.10
2^-DEOXYINOSINE (M-H)-	ME200995	0.07	NA	2.14	0.94	0.50	0.97
CHOLIC ACID (M+CL)-	ME201020	NA	1.00	1.78	0.48	NA	NA
CORTISOL (M+CL)-	ME201024	0.44	0.82	0.69	2.10	0.55	0.80
3-METHYLXANTHINE (M-H)-	ME201003	NA	1.70	0.43	1.37	NA	0.53
CIS-11-EICOSENOIC ACID (M-H)-	ME201022	0.44	3.40	1.21	0.70	0.51	0.57
CORTISONE (M+CL)-	ME201025	0.85	1.24	1.21	0.74	1.05	1.25
16:0 LYSO PC (M+CL)-	ME200990	NA	NA	1.76	1.08	0.08	NA
18:0 LYSO-PE (M-H)-	ME200992	0.12	2.17	0.68	0.94	1.00	1.63
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	ME201000	0.63	0.92	1.38	1.05	0.50	0.72
BILIVERDIN (M-H)-	ME201018	NA	NA	1.49	0.91	1.18	0.90
CITRULLINE (M-H)-	ME201023	NA	0.91	0.37	1.51	NA	0.97
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	ME200996	0.87	1.30	1.42	0.88	0.49	0.76
GLUCONIC ACID (M-H)-	ME201037	0.18	0.35	0.17	0.29	6.12	1.62
4-HYDROXYPHENYLACETIC ACID (M-H)-	ME201009	NA	0.81	0.43	0.55	0.90	2.97
AZELAIC ACID (M-H)-	ME201015	1.22	2.04	0.90	0.97	0.54	0.74
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-	ME200997	NA	0.73	0.80	1.45	0.59	0.67
DOCOSAHEXAENOIC ACID (M-H)-	ME201032	0.47	1.38	1.55	1.00	0.27	0.51
ACETAMINOPHEN (TN TYLENOL) (M-H)-	ME201011	0.27	NA	1.91	0.45	NA	NA
DECANOIC ACID (M-H)-	ME201027	NA	NA	1.14	0.83	0.95	NA
10-HYDROXYDECANOIC ACID (M-H)-	ME200989	1.18	NA	NA	1.14	NA	0.54
D-GLUCOSE 6-PHOSPHATE (M-H)-	ME201026	2.70	1.01	0.12	0.16	NA	NA
5-HYDROXYTRYPTOPHAN (M-H)-	ME201010	NA	1.45	0.36	1.40	1.14	0.81
DEHYDROASCORBIC ACID (M+CL)-	ME201028	4.17	1.29	0.94	0.81	0.41	0.47
CHOLIC ACID (M-H)-	ME201021	NA	1.72	1.47	0.57	0.24	NA
2-METHYLMALEIC ACID (M-H)-	ME200999	0.11	0.14	2.86	0.80	0.40	0.51
BEHENIC ACID (M-H)-	ME201016	0.58	1.46	1.19	0.91	0.78	1.01
2^-DEOXYINOSINE (M+CL)-	ME200994	0.29	NA	1.04	1.36	0.44	0.96
GLUCOSE (M+CL)-	ME201038	0.53	0.29	1.62	1.08	0.29	0.33
4-ACETAMINOPHEN SULFATE (M-H)-	ME201006	0.04	NA	0.76	1.40	NA	NA
GLUTAMIC ACID (M-H)-	ME201040	2.43	1.00	0.54	0.87	2.62	0.76
ARACHIDONIC ACID (M-H)-	ME201013	0.48	1.73	1.22	0.93	0.60	0.90
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)-	ME201019	NA	1.64	0.95	0.75	0.54	0.89
ERUCIC ACID (M-H)-	ME201034	0.70	1.31	1.23	1.05	0.38	0.78
FLAVIN ADENINE DINUCLEOTIDE (M-H)-	ME201035	0.22	1.44	1.06	1.09	0.85	1.07
1-METHYLURIC ACID (M-H)-	ME200988	NA	NA	0.97	1.24	0.05	0.12
ARACHIDIC ACID (M-H)-	ME201012	0.51	1.58	1.39	0.87	0.57	0.83
DEOXYCHOLIC ACID (M+CL)-	ME201029	NA	1.00	1.41	0.80	NA	NA
GLYCINE (M-H)-	ME201043	NA	0.90	0.77	1.22	NA	0.95
ASPARTIC ACID (M-H)-	ME201014	0.42	1.38	0.80	0.90	2.38	0.85
GLUTATHIONE (OXIDIZED) (M-H)-	ME201042	NA	0.17	1.08	1.15	NA	NA
16:0-18:0 PC (M+CL)-	ME200991	1.06	0.93	0.81	1.31	0.74	1.11
GLUCURONIC ACID (M-H)-	ME201039	1.13	NA	0.31	0.41	3.65	0.86
3-PHOSPHOGLYCERIC ACID (M-H)-	ME201004	NA	1.68	0.16	1.08	NA	NA
GENTISURIC ACID (2M-H)-	ME201036	NA	NA	1.02	1.61	0.35	0.61
DEOXYCHOLIC ACID (M-H)-	ME201030	NA	1.29	0.91	0.75	NA	NA
4-HYDROXYBENZOIC ACID (M-H)-	ME201008	2.41	0.23	1.21	0.71	0.94	0.95
GLUTARIC ACID (M-H)-	ME201041	0.19	0.64	0.88	1.00	1.38	1.61
EPIBRASSINOLIDE [ISTD] (M+CL)-	ME201033	0.95	0.95	1.02	1.05	0.92	0.94
4-COUMARIC ACID (M-H)-	ME201007	0.68	NA	1.16	1.15	NA	NA
DETHIOBIOTIN (2M-H)-	ME201031	0.43	0.29	0.97	1.02	1.12	1.36

Factors:

F1	M. abscessus:no \| NTM pulmonary disease:no \| pre-infection sample:no
F2	M. abscessus:no \| NTM pulmonary disease:no \| pre-infection sample:yes
F3	M. abscessus:no \| NTM pulmonary disease:yes \| pre-infection sample:no
F4	M. abscessus:no \| NTM pulmonary disease:yes \| pre-infection sample:yes
F5	M. abscessus:yes \| NTM pulmonary disease:yes \| pre-infection sample:no
F6	M. abscessus:yes \| NTM pulmonary disease:yes \| pre-infection sample:yes

Data matrix