Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Microbial depletion and ozone exposure - Lung tissue (part I) (Study ST001143)

Reversed phase LC-MS Negative (Analysis AN001883)

Metabolite	Structure	F1	F2	F3	F4
nicotinate	ME273239	0.36	0.40	3.29	0.40
taurodeoxycholate	ME273272	NA	1.72	0.08	0.03
taurochenodeoxycholate	ME273270	0.12	1.80	0.12	0.04
tauroursodeoxycholate	ME273273	0.04	1.85	0.06	0.02
tauro-beta-muricholate	ME273269	0.09	3.39	0.08	0.02
taurocholate	ME273271	0.11	3.25	0.20	0.05
hypoxanthine	ME273204	1.18	0.14	2.68	0.13
uridine 2^-monophosphate (2^-UMP)*	ME273280	1.79	0.38	1.84	0.18
adenosine 3^-monophosphate (3^-AMP)	ME273156	1.56	0.50	1.78	0.30
guanosine 3^-monophosphate (3^-GMP)	ME273199	1.66	0.45	1.78	0.26
equol sulfate	ME273190	NA	NA	1.29	0.71
catechol sulfate	ME273172	NA	0.37	1.80	0.51
3-[3-(sulfooxy)phenyl]propanoic acid	ME273137	NA	NA	1.67	0.24
7-ketodeoxycholate	ME273150	NA	0.24	1.33	0.21
4-ethylphenylsulfate	ME273139	NA	NA	0.71	1.25
4-allylphenol sulfate	ME273138	0.52	0.59	NA	1.78
p-cresol-glucuronide*	ME273245	NA	0.60	0.23	1.59
1,2,3-benzenetriol sulfate (2)	ME273069	0.34	0.75	1.57	1.25
butyrylglycine	ME273167	0.30	0.85	1.31	1.03
2-oxindole-3-acetate	ME273125	1.20	0.93	1.32	0.40
uridine 3^-monophosphate (3^-UMP)	ME273281	1.49	0.62	1.50	0.50
N2-methylguanosine	ME273236	1.07	0.42	1.59	0.38
anserine	ME273161	0.97	0.75	1.65	0.65
guanosine	ME273198	1.08	0.69	1.65	0.63
inosine	ME273207	1.09	0.66	1.75	0.56
2-aminophenol sulfate	ME273113	0.77	0.88	1.48	0.58
adenosine 5^-diphosphate (ADP)	ME273157	0.95	0.94	1.30	0.78
N-acetylmethionine sulfoxide	ME273225	0.98	0.73	1.43	0.89
1-(1-enyl-stearoyl)-GPE (P-18:0)*	ME273073	0.92	0.80	1.50	0.79
methionine sulfoxide	ME273218	1.00	0.81	1.45	0.76
3-indoxyl sulfate	ME273133	0.69	0.72	1.50	1.08
cinnamoylglycine	ME273174	0.56	0.95	1.34	1.10
isobutyrylglycine	ME273208	0.83	0.82	1.43	0.95
isovalerylglycine	ME273209	0.85	0.87	1.36	0.91
9,10-DiHOME	ME273152	0.72	0.89	1.28	1.09
12,13-DiHOME	ME273103	0.76	0.93	1.21	1.08
carnosine	ME273171	0.79	0.90	1.25	1.05
2-stearoyl-GPE (18:0)*	ME273128	0.69	0.91	1.38	1.00
cholate	ME273173	0.76	0.89	1.29	0.94
kynurenate	ME273210	1.23	1.05	0.82	0.93
thymine	ME273276	1.31	0.97	0.82	0.94
alpha-hydroxyisocaproate	ME273160	1.20	0.94	0.94	0.94
1,5-anhydroglucitol (1,5-AG)	ME273070	1.21	0.99	0.97	0.85
creatinine	ME273176	1.18	1.05	0.93	0.85
2-hydroxyoctanoate	ME273119	0.98	1.13	0.91	0.95
S-adenosylmethionine (SAM)	ME273261	1.05	1.13	0.93	0.88
2,3-diphosphoglycerate	ME273112	0.88	1.13	1.02	0.94
palmitoyl ethanolamide	ME273248	0.96	1.14	1.03	0.84
5-oxoproline	ME273147	0.84	1.12	0.95	1.06
arachidate (20:0)	ME273162	0.86	1.15	0.89	1.06
myristoleate (14:1n5)	ME273220	0.92	1.05	0.90	1.12
stearate (18:0)	ME273263	0.92	1.07	0.94	1.05
1-arachidonoyl-GPE (20:4)*	ME273075	0.85	1.07	0.94	1.11
pelargonate (9:0)	ME273249	0.85	1.10	0.93	1.09
nonadecanoate (19:0)	ME273240	0.84	1.07	0.98	1.08
pentadecanoate (15:0)	ME273250	0.86	1.06	0.97	1.09
dihomo-linolenate (20:3n3 or n6)	ME273181	0.87	1.05	0.95	1.10
palmitate (16:0)	ME273246	0.88	1.05	0.96	1.09
1-(1-enyl-oleoyl)-GPE (P-18:1)*	ME273071	0.87	1.06	1.05	1.00
5-KETE	ME273146	0.87	1.06	1.00	1.05
stearidonate (18:4n3)	ME273264	0.84	1.02	1.02	1.10
1-linoleoyl-GPE (18:2)*	ME273081	0.85	1.02	1.06	1.05
1-oleoyl-GPE (18:1)	ME273086	0.85	1.04	1.04	1.05
13-HODE + 9-HODE	ME273106	0.87	0.94	1.08	1.10
1-palmitoyl-GPE (16:0)	ME273091	0.87	0.98	1.11	1.03
phenylpyruvate	ME273253	0.92	0.97	1.09	1.01
malate	ME273216	0.97	0.95	1.05	1.02
uracil	ME273277	0.99	0.97	1.03	1.01
S-adenosylhomocysteine (SAH)	ME273260	0.96	1.00	1.09	0.95
lactate	ME273211	0.97	0.97	1.08	0.98
N-formylmethionine	ME273231	0.96	0.97	1.10	0.97
phosphoenolpyruvate (PEP)	ME273255	0.95	1.06	1.01	0.97
3-phosphoglycerate	ME273136	0.95	1.04	1.01	0.99
hippurate	ME273202	0.94	1.05	1.02	0.98
1-linoleoylglycerophosphoserine*	ME273083	0.97	1.02	0.99	1.01
5-HETE	ME273145	0.97	1.04	0.98	1.00
phosphate	ME273254	0.98	1.01	1.01	1.01
sedoheptulose-7-phosphate	ME273262	0.96	1.00	1.03	1.00
urate	ME273278	1.01	1.02	1.00	0.97
3-(4-hydroxyphenyl)lactate	ME273129	1.01	1.04	0.96	0.99
cysteine s-sulfate	ME273177	1.01	1.06	0.95	0.97
N-acetylmethionine	ME273224	1.04	1.04	0.96	0.96
N-acetylphenylalanine	ME273226	1.05	1.02	0.95	0.99
glycerol 3-phosphate	ME273197	1.08	0.99	0.97	0.97
histidine	ME273203	1.10	0.99	0.99	0.93
oleamide	ME273242	1.05	0.88	1.02	1.08
12-HETE	ME273105	1.06	0.96	1.00	1.00
6-keto prostaglandin F1alpha	ME273148	1.04	0.93	1.02	1.03
arachidonate (20:4n6)	ME273163	0.98	1.11	0.86	1.04
2^-deoxycytidine	ME273110	1.04	1.04	0.87	1.05
1-stearoyl-GPS (18:0)*	ME273099	1.00	1.03	0.93	1.04
caprate (10:0)	ME273168	0.99	1.05	0.91	1.05
linoleamide (18:2n6)	ME273213	1.02	0.96	0.91	1.11
N-acetylglycine	ME273221	0.98	0.94	0.95	1.15
laurate (12:0)	ME273212	0.96	1.00	0.95	1.08
3-hydroxyoctanoate	ME273132	0.94	0.96	0.98	1.12
glycerol	ME273196	0.90	0.97	0.98	1.13
ergothioneine	ME273191	1.19	0.80	1.35	0.70
uridine	ME273279	1.17	0.82	1.24	0.81
adenosine 3^,5^-diphosphate	ME273155	1.15	0.83	1.26	0.80
N-palmitoyltaurine	ME273234	1.13	0.82	1.27	0.82
1-arachidonoyl-GPI (20:4)*	ME273076	1.17	0.89	1.28	0.70
N-acetyltaurine	ME273227	1.15	0.87	1.26	0.76
sulfate*	ME273266	0.88	0.91	1.20	1.01
12-HEPE	ME273104	0.98	0.89	1.12	1.03
argininosuccinate	ME273164	0.97	0.84	1.14	1.06
prostaglandin F2alpha	ME273257	1.24	0.86	1.07	0.88
creatine	ME273175	1.09	0.91	1.11	0.91
S-(3-hydroxypropyl)mercapturic acid (HPMA)	ME273259	1.07	0.90	1.09	0.96
1-stearoyl-GPI (18:0)	ME273098	1.09	0.91	1.09	0.94
O-sulfo-L-tyrosine	ME273241	1.10	0.90	1.10	0.94
N-acetylthreonine	ME273228	1.11	0.96	1.05	0.89
17-HDoHe	ME273108	1.16	0.92	1.06	0.89
N-acetylvaline	ME273230	1.16	0.95	1.03	0.89
phenylalanylglycine	ME273252	1.14	0.97	1.08	0.84
taurine	ME273268	1.15	0.95	1.09	0.84
N-acetylisoleucine	ME273222	1.11	0.92	1.12	0.86
adenosine 2^-monophosphate (2^-AMP)	ME273153	1.07	0.96	1.13	0.85
N6-carbamoylthreonyladenosine	ME273237	1.11	0.96	1.13	0.82
N-acetyltyrosine	ME273229	1.02	1.06	1.03	0.85
thiamin diphosphate	ME273274	1.05	1.00	1.08	0.87
tartronate (hydroxymalonate)	ME273267	0.90	1.02	1.18	0.88
azelate (nonanedioate)	ME273165	0.89	1.05	1.10	0.94
2-hydroxydecanoate	ME273117	0.94	1.01	1.12	0.92
8-hydroxyoctanoate	ME273151	0.98	1.01	1.12	0.89
alpha-hydroxycaproate	ME273159	0.99	1.00	1.11	0.90
2-hydroxystearate	ME273121	1.07	0.99	1.17	0.78
N-formylphenylalanine	ME273232	1.06	0.92	1.18	0.85
2-hydroxypalmitate	ME273120	1.04	0.95	1.16	0.86
flavin adenine dinucleotide (FAD)	ME273194	1.03	0.94	1.16	0.89
nicotinamide adenine dinucleotide (NAD+)	ME273238	1.04	0.92	1.16	0.90
N-acetylleucine	ME273223	1.01	0.90	1.22	0.88
N-stearoyltaurine	ME273235	1.01	0.95	1.20	0.86
16-hydroxypalmitate	ME273107	0.98	0.94	1.17	0.91
indole-3-carboxylic acid	ME273205	0.99	0.95	1.14	0.92
oxalate (ethanedioate)	ME273244	1.00	0.96	1.15	0.90
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	ME273072	0.95	0.92	1.21	0.92
4-hydroxyphenylpyruvate	ME273141	0.95	0.95	1.21	0.89
1-palmitoyl-GPI (16:0)*	ME273093	1.04	0.85	1.20	0.93
6-phosphogluconate	ME273149	1.07	0.86	1.26	0.83
adenosine 3^,5^-cyclic monophosphate (cAMP)	ME273154	1.01	0.88	1.27	0.86
hexanoylglycine	ME273201	0.65	1.02	0.68	1.60
sucrose	ME273265	0.80	1.02	0.49	1.68
1-arachidonylglycerol (20:4)	ME273077	0.63	1.62	0.45	1.18
1-dihomo-linoleoylglycerol (20:2)	ME273079	0.62	1.71	0.56	1.15
2-arachidonoylglycerol (20:4)	ME273114	0.80	1.45	0.63	1.05
2-docosahexaenoylglcyerol*	ME273115	0.78	1.47	0.62	1.05
1-docosahexaenoylglycerol (22:6)	ME273080	0.72	1.49	0.53	1.16
caproate (6:0)	ME273169	0.77	1.43	0.54	1.17
1-oleoyl-GPG (18:1)*	ME273087	0.61	1.24	0.64	1.42
N-oleoyltaurine	ME273233	0.70	1.21	0.56	1.47
2-palmitoleoylglycerol (16:1)*	ME273126	0.43	1.59	0.47	1.38
1-linoleoylglycerol (18:2)	ME273082	0.52	1.43	0.52	1.41
1-oleoylglycerol (18:1)	ME273089	0.55	1.36	0.57	1.41
1-palmitoleoylglycerol (16:1)*	ME273090	0.59	1.43	0.65	1.27
2-linoleoylglycerol (18:2)	ME273122	0.61	1.48	0.60	1.20
3-methylhistidine	ME273134	1.19	0.99	0.46	1.27
thiamin monophosphate	ME273275	1.01	1.12	0.55	1.31
10-undecenoate (11:1n1)	ME273102	1.01	1.02	0.68	1.12
1-palmitoyl-GPS (16:0)*	ME273094	1.04	1.02	0.81	1.13
3-hydroxydecanoate	ME273130	0.93	1.01	0.77	1.28
3-hydroxylaurate	ME273131	0.88	0.99	0.76	1.36
benzoate	ME273166	0.88	1.05	0.72	1.32
2-hydroxyhippurate (salicylurate)	ME273118	0.94	1.00	0.94	1.36
3-phenylpropionate (hydrocinnamate)	ME273135	0.83	0.85	0.92	1.39
pyridoxate	ME273258	0.54	1.16	0.98	1.24
linoleate (18:2n6)	ME273214	0.75	1.05	0.89	1.27
linolenate [alpha or gamma; (18:3n3 or 6)]	ME273215	0.65	1.02	0.92	1.35
1-arachidonoyl-GPC (20:4)*	ME273074	0.97	1.17	0.78	1.06
adrenate (22:4n6)	ME273158	0.94	1.17	0.78	1.08
dihydrobiopterin	ME273182	1.00	1.16	0.81	1.01
flavin mononucleotide (FMN)	ME273195	0.95	1.21	0.80	1.01
2-myristoylglycerol (14:0)	ME273123	0.78	1.24	0.82	1.10
oleic ethanolamide	ME273243	0.85	1.28	0.85	0.97
1-myristoylglycerol (14:0)	ME273085	0.87	1.27	0.75	1.06
caprylate (8:0)	ME273170	0.88	1.26	0.79	1.02
1-margaroylglycerol (17:0)	ME273084	0.80	1.25	0.67	1.23
heptanoate (7:0)	ME273200	0.76	1.26	0.66	1.26
1-dihomo-linolenylglycerol (alpha, gamma)	ME273078	0.70	1.26	0.74	1.23
10-nonadecenoate (19:1n9)	ME273101	0.72	1.23	0.68	1.30
1-palmitoylglycerol (16:0)	ME273095	0.69	1.23	0.72	1.30
2-oleoylglycerol (18:1)	ME273124	0.68	1.26	0.71	1.28
1-pentadecanoylglycerol (15:0)	ME273096	0.66	1.15	0.73	1.28
17-methylstearate	ME273109	0.71	1.21	0.78	1.24
2-palmitoylglycerol (16:0)	ME273127	0.71	1.21	0.77	1.25
10-heptadecenoate (17:1n7)	ME273100	0.71	1.16	0.79	1.28
eicosenoate (20:1)	ME273189	0.74	1.17	0.77	1.26
1-stearoyl-GPG (18:0)	ME273097	0.82	1.18	0.72	1.23
erucate (22:1n9)	ME273192	0.81	1.23	0.74	1.16
1-oleoyl-GPS (18:1)	ME273088	0.85	1.19	0.74	1.17
docosahexaenoate (DHA; 22:6n3)	ME273184	0.90	1.17	0.74	1.17
1-palmitoyl-GPG (16:0)*	ME273092	0.92	1.08	0.82	1.15
docosadienoate (22:2n6)	ME273183	0.82	1.15	0.84	1.15
docosatrienoate (22:3n3)	ME273186	0.84	1.15	0.81	1.16
palmitoleate (16:1n7)	ME273247	0.79	1.13	0.84	1.21
dihomo-linoleate (20:2n6)	ME273180	0.77	1.15	0.82	1.21
margarate (17:0)	ME273217	0.79	1.15	0.82	1.19
5-dodecenoate (12:1n7)	ME273144	0.85	1.10	0.82	1.20
docosapentaenoate (n3 DPA; 22:5n3)	ME273185	0.81	1.10	0.85	1.20
4-methyl-2-oxopentanoate	ME273142	0.77	1.10	0.94	1.15
eicosapentaenoate (EPA; 20:5n3)	ME273188	0.84	1.11	0.88	1.14
myristate (14:0)	ME273219	0.84	1.08	0.89	1.16
indolelactate	ME273206	1.40	1.27	0.46	0.82
daidzein	ME273179	1.44	1.42	0.71	0.43
ferulic acid 4-sulfate	ME273193	1.27	1.34	0.81	0.44
2-hydroxy-3-methylvalerate	ME273116	2.14	0.84	0.50	0.68
4-hydroxy-nonenal-glutathione	ME273140	1.82	0.64	1.03	0.65
phenol sulfate	ME273251	1.78	0.59	1.00	0.78
dopamine sulfate (2)	ME273187	1.44	0.85	1.12	0.81
prostaglandin E2	ME273256	1.45	0.75	0.97	0.92
4-vinylphenol sulfate	ME273143	1.30	0.70	NA	NA
2^-deoxyinosine	ME273111	1.01	NA	0.99	NA
cytidine diphosphate	ME273178	1.08	0.59	1.04	NA

Factors:

F1	Treament:Antibiotics \| Exposure:Air
F2	Treament:Antibiotics \| Exposure:Ozone
F3	Treament:Water \| Exposure:Air
F4	Treament:Water \| Exposure:Ozone

Data matrix