Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003483)

HILIC POSITIVE ION MODE (Analysis AN005720)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9
bilirubin	ME908269	1.57	2.90	3.28	0.09	0.30	0.14	0.25	0.14	0.34
D-(-)-3-Phosphoglyceric acid	ME908199	2.04	2.20	3.18	0.34	0.35	0.22	0.27	0.16	0.25
GDP-alpha-D-mannose	ME908218	1.68	2.49	3.52	0.17	0.11	0.19	0.27	0.19	0.38
lys-leu	ME908213	1.64	2.18	3.58	0.21	0.34	0.18	0.38	0.15	0.34
Spermic acid	ME908193	2.58	2.57	3.77	0.04	0.02	0.01	0.00	0.00	0.00
PC	ME908279	2.95	2.07	3.86	0.02	0.03	0.01	0.02	0.02	0.02
asn-val	ME908257	2.84	2.34	3.71	0.04	0.01	0.01	0.01	0.02	0.01
g-Butyrobetaine	ME908172	2.86	2.37	3.61	0.04	0.07	0.02	0.01	0.01	0.02
Adenosine	ME908259	2.51	3.04	3.27	0.04	0.04	0.02	0.03	0.02	0.04
4-Oxo-O-phosphonohomoserine	ME908225	1.95	3.27	3.63	0.07	0.03	0.01	0.01	0.01	0.01
8-hydroxy-deoxyguanosine	ME908274	1.95	2.51	3.85	0.23	0.03	0.17	0.11	0.02	0.13
Adenine	ME908178	2.28	2.71	3.56	0.13	0.11	0.04	0.06	0.03	0.08
Homoanserine	ME908207	2.06	2.91	3.78	0.09	0.05	0.02	0.02	0.03	0.03
3-Phenylpropanoic acid	ME908164	2.23	2.84	3.88	0.01	0.02	0.01	0.01	0.01	0.00
Spaglumic acid	ME908212	2.14	2.79	3.95	0.03	0.04	0.02	0.01	0.01	0.02
Hypoxanthin	ME908243	2.41	1.88	3.47	0.29	0.12	0.21	0.23	0.05	0.33
L-Histidine	ME908283	3.03	1.53	3.15	0.25	0.24	0.13	0.23	0.30	0.13
1-Oleoyl-2-Stearoyl-sn-Glycero-3-Phosphocholine	ME908255	2.45	1.29	3.13	0.31	0.46	0.08	0.26	0.73	0.28
FZ7700000	ME908228	2.54	1.28	3.44	0.23	0.25	0.18	0.39	0.33	0.35
KYNURAMINE	ME908280	1.57	1.48	3.71	0.57	0.22	0.48	0.56	0.22	0.19
Biacetyl	ME908220	2.05	1.62	4.26	0.24	0.18	0.10	0.10	0.36	0.09
gamma-Aminobutyric acid	ME908221	2.05	1.62	4.26	0.23	0.18	0.10	0.10	0.36	0.09
5-methylthioribose	ME908177	0.88	0.95	3.99	0.45	0.30	0.44	0.64	0.47	0.89
Furfural	ME908239	2.46	1.32	2.78	0.46	0.32	0.28	0.53	0.13	0.71
Methylol Dimethylhydantoin	ME908200	2.07	1.27	2.25	0.61	0.65	0.37	0.63	0.61	0.53
N-Acetylvaline	ME908249	1.80	0.99	2.73	0.54	0.66	0.58	0.83	0.19	0.70
4-Acetamido-2-amino-6-nitrotoluene	ME908290	1.22	1.97	2.53	0.88	0.67	0.36	0.38	0.53	0.44
DOA	ME908248	1.55	1.96	2.21	0.44	0.77	0.34	0.41	0.95	0.37
Pyridoxal	ME908262	1.37	1.78	2.02	1.04	0.71	0.39	0.53	0.47	0.69
N6,N6,N6-Trimethyl-L-lysine	ME908222	1.49	1.67	2.21	0.71	0.66	0.41	0.60	0.70	0.53
carnosine	ME908246	1.57	1.88	2.28	0.56	0.45	0.28	0.72	0.68	0.60
N,N-dimethylarginine	ME908282	1.53	1.68	2.08	0.61	0.45	0.40	0.86	0.63	0.76
Glutarylcarnitine	ME908251	1.41	2.43	2.70	0.57	0.54	0.26	0.32	0.47	0.29
propionylcarnitine	ME908229	1.52	2.58	2.68	0.48	0.64	0.25	0.54	0.07	0.25
glu-ser	ME908288	1.57	2.15	2.76	0.20	0.68	0.28	0.54	0.42	0.41
N6-METHYLLYSINE	ME908233	1.89	1.90	2.80	0.39	0.45	0.28	0.40	0.52	0.39
Phosphoenolpyruvic acid	ME908236	1.58	1.92	2.95	0.56	0.62	0.34	0.40	0.24	0.38
ACPC	ME908171	1.63	1.67	2.71	0.54	0.51	0.37	0.52	0.47	0.58
DL-Glutamic acid	ME908180	1.55	1.62	2.56	0.60	0.56	0.41	0.57	0.50	0.63
L-(+)-Aspartic acid	ME908183	1.76	1.59	2.97	0.44	0.40	0.37	0.54	0.26	0.67
Nicotinamide	ME908210	1.71	1.62	2.76	0.48	0.39	0.39	0.69	0.24	0.73
1-(sn-glycero-3-phospho)-1D-myo-inositol	ME908294	1.21	2.19	2.78	0.48	0.37	0.37	0.66	0.24	0.69
N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine	ME908270	1.40	1.79	2.95	0.38	0.36	0.42	0.71	0.22	0.77
S-Adenosyl-L-homocysteine	ME908264	1.52	1.97	2.82	0.40	0.36	0.33	0.71	0.16	0.74
Acetylcarnitine	ME908272	1.02	1.52	2.71	0.60	0.54	1.05	0.66	0.30	0.60
Creatine	ME908226	1.25	1.47	2.66	0.91	0.84	0.93	0.37	0.25	0.34
DL-Carnitine	ME908168	0.93	1.34	2.25	0.94	0.83	0.70	0.75	0.51	0.75
(S,S)-2,6-diaminopimelic acid	ME908237	0.71	1.25	2.45	0.81	0.75	0.58	0.87	0.65	0.92
Nudifloramide	ME908179	1.02	1.35	2.35	0.52	0.82	0.71	0.93	0.25	1.05
DL-Lysine	ME908166	1.26	1.46	2.19	0.66	0.71	0.47	0.90	0.56	0.80
.alpha.-Aminoadipic acid	ME908163	1.09	1.32	2.17	0.72	0.67	0.55	1.01	0.45	1.02
Lysylvaline	ME908258	1.07	1.37	2.07	0.76	0.55	0.62	1.14	0.38	1.04
1D-myo-Inositol 1,2-cyclic phosphate	ME908186	1.02	1.97	2.01	0.61	0.56	0.50	1.08	0.37	0.89
CMP-Neu5Ac	ME908191	1.29	1.59	2.54	0.32	0.48	0.58	1.07	0.31	0.82
LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))	ME908250	1.38	0.13	0.13	1.04	1.62	0.91	0.39	3.01	0.40
felbamate	ME908189	0.37	0.39	0.61	1.51	0.34	0.68	3.19	0.22	1.69
1-hexadecyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine	ME908247	0.46	0.15	0.74	0.47	1.25	0.44	1.94	2.24	1.32
Lyso-PAF C-18	ME908203	0.09	0.09	0.28	0.44	0.91	0.66	3.31	1.67	1.55
Diethylamine	ME908170	0.37	0.51	1.02	1.41	1.06	2.26	0.63	0.82	0.94
2,4-Diaminotoluene	ME908287	0.22	0.57	0.39	0.62	2.14	2.19	1.42	1.39	0.05
2-Isobutyl-3-methoxypyrazine	ME908268	0.19	0.89	0.73	0.42	1.46	2.30	0.92	2.00	0.08
[(2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydro-2-furanyl]methyl (2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl dihydrogen diphosphate	ME908284	1.08	1.37	1.95	0.10	0.71	0.14	1.06	0.28	2.30
glyceraldehyde 3-phosphate	ME908208	0.88	0.75	1.41	0.58	1.12	0.15	1.39	0.35	2.36
2,4-Diamino-6-nitrotoluene	ME908240	0.45	0.54	0.74	2.25	1.80	0.65	0.63	1.16	0.78
Phenazone	ME908174	0.36	0.52	0.67	1.79	1.94	0.98	0.18	1.97	0.59
Inosinic acid	ME908286	0.43	0.45	0.82	0.81	2.38	0.54	1.03	1.24	1.30
L-alpha-lysophosphatidylcholine	ME908291	0.35	0.43	0.57	1.22	1.44	0.82	0.90	2.43	0.84
MFCD00133435	ME908235	0.44	0.93	1.03	0.83	1.54	0.54	0.91	1.89	0.89
1-arachidonoyl-sn-glycero-3-phosphocholine	ME908292	0.35	0.71	0.88	1.00	1.77	0.71	0.76	2.10	0.72
Platelet-activating factor	ME908214	0.35	0.52	0.83	0.97	1.58	0.59	0.97	2.09	1.10
Uridine monophosphate	ME908159	0.40	0.32	0.59	0.60	1.46	0.58	1.82	0.81	2.41
3-hydroxyhexadecanoylcarnitine	ME908234	0.20	0.38	0.55	0.73	1.34	1.03	2.54	1.05	1.18
2-Aminoethyl (2R)-3-[(1Z)-1-hexadecen-1-yloxy]-2-hydroxypropyl hydrogen phosphate	ME908273	0.49	0.54	0.82	0.84	0.99	0.85	1.90	1.54	1.03
Cytosine	ME908185	0.69	0.62	0.96	0.82	1.16	0.84	1.90	0.81	1.20
Guanidinosuccinic acid	ME908276	0.39	0.42	0.38	1.21	1.67	0.42	2.04	1.04	1.43
L-(+)-Valine	ME908254	0.71	0.45	1.03	1.35	1.40	0.33	1.42	1.02	1.30
3-Methylcyclopentene	ME908160	0.33	0.37	1.09	1.46	1.40	0.80	0.67	1.14	1.74
Leu-pro	ME908263	0.05	0.15	0.14	1.53	2.01	1.29	1.13	1.37	1.33
2-(Diethylamino)ethanol	ME908175	0.25	0.22	0.59	1.62	1.56	0.94	1.34	0.95	1.53
Indoleacrylic acid	ME908224	0.35	0.40	0.57	1.29	1.37	1.21	1.28	1.38	1.15
methionine S-oxide	ME908184	0.37	0.41	0.77	1.33	1.19	1.03	1.68	1.21	1.00
benzoquinone	ME908256	0.59	1.71	0.96	0.73	0.74	0.62	1.72	0.54	1.40
3-Hydroxy-5, 8-tetradecadiencarnitine	ME908201	0.43	0.95	1.09	0.74	0.80	0.73	1.93	0.64	1.70
Pyrogallol	ME908162	0.41	1.29	0.68	0.86	1.04	0.80	1.70	0.59	1.62
DL-Homocysteine	ME908202	0.64	1.26	1.83	0.91	1.25	0.51	1.41	0.40	0.80
Fructose 1-phosphate	ME908209	0.89	1.49	1.55	0.85	0.73	0.64	1.33	0.44	1.10
D-Sedoheptulose 7-phosphate	ME908231	0.70	1.05	1.26	1.08	0.49	0.89	1.78	0.33	1.41
2-Acetamidohexanedioic acid	ME908194	0.83	0.89	1.36	1.24	0.70	0.91	1.27	0.45	1.34
GlcNAc-6-P	ME908227	0.82	1.08	1.45	1.21	0.70	0.96	1.22	0.34	1.22
2-Amino-3-(1H-imidazol-4-yl)propanal	ME908173	0.46	0.89	1.23	1.46	1.06	0.95	1.39	0.53	1.04
Glyceryl phosphate	ME908230	0.63	0.81	1.32	1.21	1.20	0.90	1.21	0.47	1.25
N(1)-acetylspermidine	ME908157	0.60	2.02	1.45	0.57	1.01	0.94	0.81	0.68	0.93
putrescine	ME908266	0.55	1.99	1.70	0.77	0.81	0.76	0.85	0.55	1.03
Adenylthiomethylpentose	ME908217	1.09	1.72	1.63	0.77	1.05	1.24	0.70	0.37	0.43
Pentahomoserine	ME908188	1.40	1.77	1.90	0.60	0.95	0.80	0.47	0.60	0.52
1,2-Dioleoyl-sn-glycero-3-PE	ME908261	1.61	0.90	1.84	0.46	0.90	0.23	0.74	1.46	0.87
Phenethylamine	ME908252	1.02	1.29	1.81	1.57	0.93	0.13	0.93	0.49	0.83
linatine	ME908271	0.48	1.26	1.58	0.59	1.15	0.77	0.59	1.39	1.18
PEG-4	ME908293	0.25	1.10	1.16	0.95	1.43	1.09	0.47	1.41	1.14
DL-Citrulline	ME908197	1.56	1.22	2.02	0.77	0.78	0.46	0.78	0.76	0.65
Creatinine	ME908158	1.27	1.17	1.85	0.98	0.88	0.55	0.68	0.99	0.63
Tiglylcarnitine	ME908238	1.14	1.41	1.86	0.92	0.93	0.53	0.55	0.99	0.67
Formiminoglutamic Acid	ME908289	1.45	1.37	1.68	1.00	0.86	0.45	0.76	0.84	0.60
GUDCA	ME908165	1.34	1.34	1.48	1.01	0.92	0.45	0.67	1.18	0.62
Trimethylamine N-oxide	ME908181	1.28	1.33	1.67	0.99	0.83	0.48	0.69	1.07	0.65
glu-thr	ME908195	0.76	1.47	1.65	0.71	1.07	0.64	0.85	1.07	0.80
Indole-3-acetaldehyde	ME908176	0.96	1.46	1.53	0.54	0.75	0.66	0.76	1.30	1.04
carglumic acid	ME908260	1.09	1.21	1.50	0.69	0.83	0.63	1.20	0.83	1.03
DL-Ornithine	ME908206	1.22	1.36	1.59	0.80	0.84	0.56	0.99	0.77	0.88
L-Hexanoylcarnitine	ME908182	0.89	1.15	1.41	1.02	0.89	0.71	1.06	0.81	1.05
C4-Carnitine	ME908211	0.87	1.15	1.56	1.00	1.02	0.87	0.81	0.98	0.75
Epiguanine	ME908241	1.03	1.13	1.56	1.01	0.98	0.62	0.83	1.02	0.81
Dodecanedioic acid	ME908192	0.84	1.01	1.38	1.79	1.14	0.55	0.67	0.87	0.77
O-succinylcarnitine	ME908205	0.87	1.14	1.37	1.11	1.42	0.77	0.73	0.75	0.84
(10E,15Z)-9,12,13-Trihydroxy-10,15-octadecadienoic acid	ME908265	0.87	0.85	1.29	1.41	1.05	0.67	0.91	1.19	0.77
2-methylbutyrylcarnitine	ME908161	0.81	1.00	1.30	1.56	1.15	0.56	0.77	1.11	0.73
13Z,16Z-docosadienoic acid	ME908216	0.75	1.03	1.16	1.18	1.12	0.72	0.88	1.32	0.84
MFCD05863969	ME908198	0.80	0.99	1.27	1.00	1.22	0.73	0.85	1.33	0.80
theaspirane	ME908278	0.74	1.12	1.29	1.21	1.02	0.54	0.90	1.44	0.74
3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one	ME908245	0.86	1.05	1.33	1.24	1.22	0.51	0.84	1.15	0.80
Xanthosine	ME908204	0.92	1.12	1.27	1.12	0.97	0.70	0.90	1.18	0.82
1-Oleoyl-rac-glycerol	ME908196	0.90	1.13	1.45	1.04	1.09	0.55	0.85	1.25	0.75
Homocitrulline	ME908244	0.84	1.11	1.39	1.13	1.09	0.60	0.83	1.24	0.77
C8-Carnitine	ME908253	0.66	0.91	1.07	1.16	1.09	0.83	1.16	0.98	1.14
Octyl gallate	ME908215	0.71	0.80	1.20	1.34	1.43	0.75	0.89	1.17	0.71
1-Octadecyl (2Z)-2-butenedioate	ME908187	0.71	0.92	1.04	1.29	1.25	0.78	0.92	1.25	0.83
MFCD00065857	ME908281	0.66	0.81	1.03	1.36	1.30	0.80	0.90	1.18	0.95
Deanol	ME908156	0.66	0.71	1.15	1.45	1.30	0.79	0.92	0.99	1.02
EUGENOL ISOVALERATE	ME908285	0.57	0.81	1.02	1.48	1.38	0.81	0.95	1.07	0.92
dimethylformamide	ME908190	0.82	1.08	1.52	1.00	0.95	1.03	0.64	1.46	0.49
1-Stearoyl-2-hydroxy-sn-glycero-3-PE	ME908277	0.84	0.74	1.47	0.76	0.95	0.48	1.07	1.63	1.05
MFCD00036904	ME908232	0.84	1.17	1.35	0.72	1.11	0.59	0.93	1.54	0.75
2-Isopropyl-3-methoxypyrazine	ME908223	0.42	1.35	1.45	0.52	0.99	1.54	0.73	1.90	0.09
asn-lys	ME908169	0.99	1.73	1.35	0.42	0.25	0.78	0.50	1.84	1.15
Amphetamine	ME908267	0.17	0.64	0.20	1.88	1.86	3.86	0.19	0.12	0.07
cuscohygrine	ME908219	0.02	0.02	0.08	4.58	2.11	2.15	0.01	0.01	0.03
ALA-PRO	ME908242	0.22	0.26	0.96	2.59	2.96	1.81	0.07	0.09	0.05
Acetylhistamine	ME908167	0.05	0.19	0.13	2.71	1.90	1.13	1.20	0.96	0.73
N-(1-Methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)alanine	ME908275	0.53	0.78	1.20	2.69	2.20	0.25	0.47	0.27	0.61

Factors:

F1	Sample source:Brain \| Experimental Variable:d14
F2	Sample source:Brain \| Experimental Variable:d3
F3	Sample source:Brain \| Experimental Variable:d7
F4	Sample source:Galea \| Experimental Variable:d14
F5	Sample source:Galea \| Experimental Variable:d3
F6	Sample source:Galea \| Experimental Variable:d7
F7	Sample source:Tissue (PJI) \| Experimental Variable:d14
F8	Sample source:Tissue (PJI) \| Experimental Variable:d3
F9	Sample source:Tissue (PJI) \| Experimental Variable:d7

Data matrix